#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 4.57 0.00 0.00 2.12 -1.26 -3.90 118.70 120.24 1ilu s GLU 2 Ca 0.00 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.15 1ilu s GLU 2 Cb 0.00 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1ilu s GLU 2 CO 0.00 0.07 0.00 0.00 -0.54 0.00 0.00 175.26 174.79 1ilu s SER 4 N -1.65 -0.50 0.02 0.00 1.04 -1.25 -2.04 113.70 109.32 1ilu s SER 4 Ca 0.00 0.78 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1ilu s SER 4 Cb 0.00 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.91 1ilu s SER 4 CO 0.00 -0.33 -0.06 0.54 0.98 0.00 0.00 173.24 174.37 1ilu s VAL 5 N -0.39 0.44 -0.21 5.02 0.11 -0.30 -2.32 120.40 122.75 1ilu s VAL 5 Ca -0.05 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1ilu s VAL 5 Cb -0.03 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1ilu s VAL 5 CO 0.04 -0.13 -0.15 -1.81 -3.33 0.00 0.00 175.10 169.72 1ilu s ASP 6 N -0.79 3.64 0.01 3.54 1.11 -1.26 -1.07 116.67 121.84 1ilu s ASP 6 Ca -0.04 -0.74 0.07 0.00 0.18 0.00 0.00 52.55 52.03 1ilu s ASP 6 Cb -0.06 -1.55 -0.02 0.00 1.07 0.00 0.00 42.92 42.36 1ilu s ASP 6 CO 0.00 -0.04 -0.22 -0.51 1.18 0.00 0.00 175.17 175.58 1ilu s ILE 7 N 1.30 1.72 0.08 0.77 2.07 0.71 -4.95 121.20 122.90 1ilu s ILE 7 Ca 0.03 -1.04 0.06 0.00 -1.41 0.00 0.00 60.65 58.29 1ilu s ILE 7 Cb -0.15 -1.45 -0.04 0.00 0.13 0.00 0.00 42.46 40.96 1ilu s ILE 7 CO -0.09 0.39 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.16 1ilu s GLN 8 N -0.76 2.32 -0.10 3.50 -0.21 -1.26 -1.71 119.66 121.44 1ilu s GLN 8 Ca 0.08 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.55 1ilu s GLN 8 Cb -0.09 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.54 1ilu s GLN 8 CO 0.00 0.53 -0.09 0.20 -2.12 0.00 0.00 175.29 173.81 1ilu s GLY 9 N -2.09 0.81 0.17 3.09 0.00 -0.90 -1.48 107.32 106.92 1ilu s GLY 9 Ca 0.22 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.46 1ilu s GLY 9 CO 0.14 0.55 0.11 1.16 0.00 0.00 0.00 173.10 175.06 1ilu n ASN 10 N 4.52 1.63 -0.02 1.64 6.94 -0.62 -3.63 115.26 125.73 1ilu n ASN 10 Ca -0.17 -1.59 0.16 0.00 -0.02 0.00 0.00 54.58 52.96 1ilu n ASN 10 Cb 0.51 0.00 0.89 0.00 -2.36 0.00 0.00 39.78 38.81 1ilu n ASN 10 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1ilu n ASP 11 N -1.86 0.07 -1.81 0.53 8.00 -1.24 -2.72 116.55 117.54 1ilu n ASP 11 Ca -0.01 -0.84 0.07 0.00 0.71 0.00 0.00 54.79 54.72 1ilu n ASP 11 Cb 0.19 -0.06 0.39 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.01 4.67 -3.89 -1.24 3.00 -1.26 -4.96 117.38 112.70 1ilu n GLN 12 Ca 0.22 -3.12 -0.33 0.00 -0.01 0.00 0.00 57.00 53.75 1ilu n GLN 12 Cb 0.15 -2.20 0.01 0.00 0.00 0.00 0.00 30.24 28.19 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 0.63 -0.90 -4.80 -1.09 0.00 -1.10 -5.03 117.12 104.82 1ilu n MET 13 Ca 0.27 0.39 -0.28 0.00 0.00 0.00 0.00 57.70 58.08 1ilu n MET 13 Cb 1.15 -2.14 -0.14 0.00 0.00 0.00 0.00 33.22 32.08 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 -5.97 1.61 -0.02 3.17 -0.21 -1.26 -4.46 119.66 112.51 1ilu s GLN 14 Ca 0.21 -1.01 -0.09 0.00 0.02 0.00 0.00 55.36 54.50 1ilu s GLN 14 Cb -0.12 -1.74 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 1ilu s GLN 14 CO 0.88 0.45 0.28 -0.06 -2.12 0.00 0.00 175.29 174.71 1ilu s PHE 15 N -0.78 3.61 0.40 0.91 0.08 -1.26 -1.58 117.98 119.36 1ilu s PHE 15 Ca 0.09 0.66 0.08 0.00 0.12 0.00 0.00 56.93 57.89 1ilu s PHE 15 Cb -0.09 -2.05 0.87 0.00 -0.57 0.00 0.00 43.02 41.17 1ilu s PHE 15 CO 0.02 0.64 2.02 -2.95 -0.10 0.00 0.00 175.22 174.85 1ilu h ASN 16 N 4.34 0.50 -4.36 1.36 -1.07 -1.63 -3.43 115.58 111.29 1ilu h ASN 16 Ca -0.51 -0.00 -0.29 0.00 0.07 0.00 0.00 56.30 55.56 1ilu h ASN 16 Cb 1.21 -0.11 -0.15 0.00 -2.07 0.00 0.00 38.32 37.20 1ilu h ASN 16 CO 0.63 0.34 -0.68 0.28 0.07 0.00 0.00 177.43 178.07 1ilu s THR 17 N -5.52 0.81 -0.31 6.14 -1.32 -1.26 -5.03 115.64 109.15 1ilu s THR 17 Ca -0.08 -1.99 0.19 0.00 -1.21 0.00 0.00 61.69 58.59 1ilu s THR 17 Cb 0.18 -1.99 0.47 0.00 -1.51 0.00 0.00 72.50 69.65 1ilu s THR 17 CO 0.74 -0.60 0.98 -0.46 -2.21 0.00 0.00 174.62 173.07 1ilu n ASN 18 N -0.21 1.53 -3.41 8.08 0.23 -1.26 -4.96 115.26 115.25 1ilu n ASN 18 Ca -0.08 -2.61 0.01 0.00 -0.53 0.00 0.00 54.58 51.37 1ilu n ASN 18 Cb 0.62 -0.52 -0.04 0.00 -2.08 0.00 0.00 39.78 37.76 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 -3.24 -2.72 -0.03 -2.53 0.00 -1.26 -3.35 121.76 108.63 1ilu s ALA 19 Ca 0.27 2.04 0.07 0.00 0.00 0.00 0.00 51.96 54.34 1ilu s ALA 19 Cb 0.44 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 1ilu s ALA 19 CO 0.02 -0.85 -0.24 0.42 0.00 0.00 0.00 175.76 175.11 1ilu s ILE 20 N 2.20 1.92 -0.09 0.00 1.01 -0.49 -4.96 121.20 120.79 1ilu s ILE 20 Ca -0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 1ilu s ILE 20 Cb -0.05 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1ilu s ILE 20 CO -0.17 0.54 0.07 -0.89 0.00 0.00 0.00 174.94 174.49 1ilu s THR 21 N -0.40 4.86 -0.19 2.92 2.01 -1.26 -0.81 115.64 122.76 1ilu s THR 21 Ca 0.04 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1ilu s THR 21 Cb -0.11 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.35 1ilu s THR 21 CO 0.01 0.59 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.76 1ilu s VAL 22 N -0.98 1.39 0.18 3.82 1.01 0.16 -4.91 120.40 121.07 1ilu s VAL 22 Ca 0.15 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1ilu s VAL 22 Cb -0.12 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 1ilu s VAL 22 CO 0.04 0.09 1.17 -0.62 0.00 0.00 0.00 175.10 175.78 1ilu s ASP 23 N 1.50 7.14 0.19 3.32 -1.08 -1.26 -1.03 116.67 125.45 1ilu s ASP 23 Ca -0.01 2.19 0.25 0.00 -0.52 0.00 0.00 52.55 54.46 1ilu s ASP 23 Cb -0.16 -2.61 0.90 0.00 -1.46 0.00 0.00 42.92 39.59 1ilu s ASP 23 CO -0.08 -0.33 1.76 0.29 0.52 0.00 0.00 175.17 177.33 1ilu n LYS 24 N 2.46 0.20 0.20 4.34 5.02 0.02 -2.52 118.16 127.90 1ilu n LYS 24 Ca 0.04 0.26 0.05 0.00 -2.02 0.00 0.00 58.31 56.64 1ilu n LYS 24 Cb 0.45 -1.78 0.43 0.00 -0.02 0.00 0.00 35.03 34.11 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 -3.25 4.39 0.02 -1.92 -3.44 113.55 109.35 1ilu h SER 25 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1ilu h SER 25 Cb 0.57 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.17 1ilu h SER 25 CO 0.00 0.32 0.79 0.00 -1.14 0.00 0.00 176.83 176.79 1ilu h LYS 27 N 5.46 0.36 -5.37 0.00 6.56 -1.89 -3.42 116.57 118.26 1ilu h LYS 27 Ca -0.45 -0.61 -0.46 0.00 -1.06 0.00 0.00 60.65 58.07 1ilu h LYS 27 Cb 1.21 0.23 -0.14 0.00 -0.57 0.00 0.00 32.23 32.96 1ilu h LYS 27 CO 0.81 1.29 -0.66 -0.65 -2.06 0.00 0.00 179.45 178.18 1ilu s GLN 28 N -2.52 1.51 -0.01 3.15 -0.21 -1.26 -1.95 119.66 118.36 1ilu s GLN 28 Ca -0.16 -1.77 0.02 0.00 0.02 0.00 0.00 55.36 53.47 1ilu s GLN 28 Cb 0.04 -1.00 -0.00 0.00 1.00 0.00 0.00 33.01 33.05 1ilu s GLN 28 CO 0.84 -0.02 -0.08 0.12 -2.12 0.00 0.00 175.29 174.02 1ilu s PHE 29 N -3.14 0.82 -0.09 0.91 5.36 -0.51 -4.85 117.98 116.49 1ilu s PHE 29 Ca 0.30 -0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.14 1ilu s PHE 29 Cb 0.05 -0.56 -0.00 0.00 -0.34 0.00 0.00 43.02 42.17 1ilu s PHE 29 CO 0.11 -0.05 -0.23 0.99 -1.46 0.00 0.00 175.22 174.59 1ilu s THR 30 N -0.01 1.94 -0.15 0.12 2.01 -0.86 -1.19 115.64 117.50 1ilu s THR 30 Ca 0.00 -0.96 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1ilu s THR 30 Cb -0.06 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1ilu s THR 30 CO -0.00 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1ilu s VAL 31 N 0.25 3.88 -0.16 3.82 1.01 -0.51 -1.15 120.40 127.54 1ilu s VAL 31 Ca -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1ilu s VAL 31 Cb -0.17 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1ilu s VAL 31 CO 0.07 0.50 -0.20 0.20 0.00 0.00 0.00 175.10 175.67 1ilu s ASN 32 N 0.27 3.19 -0.06 3.32 0.01 -0.23 -1.14 114.94 120.31 1ilu s ASN 32 Ca -0.03 -0.60 0.04 0.00 -0.71 0.00 0.00 52.86 51.55 1ilu s ASN 32 Cb -0.14 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.02 1ilu s ASN 32 CO 0.03 0.05 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.29 1ilu s LEU 33 N 0.98 2.62 0.23 0.60 2.96 0.22 -0.20 118.68 126.09 1ilu s LEU 33 Ca -0.03 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1ilu s LEU 33 Cb -0.15 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1ilu s LEU 33 CO -0.05 0.31 0.08 -0.94 -1.32 0.00 0.00 176.35 174.42 1ilu s SER 34 N -0.53 1.09 -0.33 3.68 1.04 -0.70 -1.47 113.70 116.49 1ilu s SER 34 Ca 0.07 -1.33 -0.01 0.00 0.48 0.00 0.00 55.95 55.16 1ilu s SER 34 Cb -0.11 0.17 0.11 0.00 0.10 0.00 0.00 66.02 66.29 1ilu s SER 34 CO 0.01 -0.70 0.13 -2.28 0.98 0.00 0.00 173.24 171.38 1ilu s HIS 35 N -3.77 1.39 0.84 5.02 2.46 -1.10 -2.11 115.29 118.02 1ilu s HIS 35 Ca 0.34 -1.65 -0.11 0.00 0.47 0.00 0.00 55.06 54.12 1ilu s HIS 35 Cb 0.07 -1.51 0.10 0.00 -0.13 0.00 0.00 32.58 31.11 1ilu s HIS 35 CO 0.11 -0.85 1.13 -1.25 -2.47 0.00 0.00 174.74 171.41 1ilu s PRO 36 N 1.51 1.64 0.00 2.88 0.04 -1.24 -1.96 135.00 137.87 1ilu s PRO 36 Ca 0.11 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1ilu s PRO 36 Cb -0.18 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1ilu s PRO 36 CO -0.22 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1ilu n GLY 37 N -0.34 -0.87 0.00 0.56 0.00 -1.26 -3.61 105.19 99.67 1ilu n GLY 37 Ca 0.11 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -4.77 1.61 4.13 -1.26 -4.62 115.26 110.35 1ilu n ASN 38 Ca 0.00 -1.00 -0.39 0.00 1.68 0.00 0.00 54.58 54.87 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 0.00 4.46 0.92 3.41 1.43 -1.26 -4.84 118.68 122.80 1ilu s LEU 39 Ca 0.00 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.25 1ilu s LEU 39 Cb 0.00 -2.98 0.15 0.00 0.03 0.00 0.00 46.19 43.39 1ilu s LEU 39 CO 0.00 0.13 1.12 -2.16 0.23 0.00 0.00 176.35 175.68 1ilu s PRO 40 N -0.42 0.95 0.32 1.29 0.04 -1.26 -2.38 135.00 133.55 1ilu s PRO 40 Ca 0.32 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.79 1ilu s PRO 40 Cb -0.19 -1.73 0.56 0.00 0.04 0.00 0.00 34.50 33.18 1ilu s PRO 40 CO 0.19 -2.62 1.85 -0.22 0.04 0.00 0.00 177.00 176.23 1ilu h LYS 41 N -1.86 0.53 0.00 4.56 3.64 -1.84 0.20 116.57 121.81 1ilu h LYS 41 Ca -0.45 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1ilu h LYS 41 Cb 1.27 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1ilu h LYS 41 CO 0.44 0.59 0.00 -2.95 -2.27 0.00 0.00 179.45 175.26 1ilu h ASN 42 N 0.51 0.00 0.00 4.20 -1.07 -1.95 -1.38 115.58 115.89 1ilu h ASN 42 Ca 0.10 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.40 1ilu h ASN 42 Cb 0.38 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.62 1ilu h ASN 42 CO 0.02 0.00 -1.36 1.33 0.07 0.00 0.00 177.43 177.49 1ilu n VAL 43 N -2.96 0.27 -2.74 6.14 0.24 -1.16 -4.89 118.33 113.24 1ilu n VAL 43 Ca 0.01 -0.21 -0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1ilu n VAL 43 Cb 0.30 -0.47 0.06 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.06 1.42 -2.72 7.34 0.00 0.71 -5.05 117.12 116.76 1ilu n MET 44 Ca -0.07 -2.75 -0.36 0.00 0.00 0.00 0.00 57.70 54.52 1ilu n MET 44 Cb 0.52 -0.91 -0.06 0.00 0.00 0.00 0.00 33.22 32.78 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 2.71 0.08 -5.12 0.00 -0.52 -4.71 107.32 96.84 1ilu s GLY 45 Ca 0.23 0.55 0.08 0.00 0.00 0.00 0.00 44.72 45.58 1ilu s GLY 45 CO -0.07 0.96 -0.21 0.30 0.00 0.00 0.00 173.10 174.08 1ilu s HIS 46 N -1.73 1.80 0.43 1.90 3.76 -0.82 -4.73 115.29 115.90 1ilu s HIS 46 Ca 0.54 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 55.09 1ilu s HIS 46 Cb -0.18 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.48 1ilu s HIS 46 CO 0.23 0.16 0.13 0.27 -0.85 0.00 0.00 174.74 174.68 1ilu n ASN 47 N 1.38 1.56 -3.80 1.40 6.94 -1.26 -0.95 115.26 120.53 1ilu n ASN 47 Ca -0.19 -3.20 -0.24 0.00 -0.02 0.00 0.00 54.58 50.93 1ilu n ASN 47 Cb 0.53 0.94 -0.17 0.00 -2.36 0.00 0.00 39.78 38.72 1ilu n ASN 47 CO 0.00 0.00 0.00 0.86 -1.03 0.00 0.00 177.26 177.09 1ilu s TRP 48 N -3.06 0.91 0.01 -2.53 -0.00 -1.26 -4.32 118.94 108.68 1ilu s TRP 48 Ca 0.18 -0.39 0.06 0.00 -0.00 0.00 0.00 56.10 55.94 1ilu s TRP 48 Cb 0.01 -0.93 -0.02 0.00 -0.00 0.00 0.00 33.47 32.53 1ilu s TRP 48 CO 0.13 -0.41 -0.17 0.08 -0.00 0.00 0.00 176.95 176.57 1ilu s VAL 49 N 1.90 1.38 -0.07 5.86 1.01 -0.53 -0.93 120.40 129.01 1ilu s VAL 49 Ca 0.04 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1ilu s VAL 49 Cb -0.13 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1ilu s VAL 49 CO -0.06 0.27 -0.25 -0.22 0.00 0.00 0.00 175.10 174.84 1ilu s LEU 50 N -0.73 2.07 0.00 3.92 2.96 -0.20 -1.79 118.68 124.91 1ilu s LEU 50 Ca 0.06 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 1ilu s LEU 50 Cb -0.07 -1.37 0.03 0.00 0.50 0.00 0.00 46.19 45.27 1ilu s LEU 50 CO 0.00 0.22 0.46 -1.54 -1.32 0.00 0.00 176.35 174.18 1ilu n SER 51 N 3.08 -1.33 -4.79 3.68 3.41 -0.79 -1.20 113.62 115.67 1ilu n SER 51 Ca -0.18 -2.20 -0.32 0.00 -0.26 0.00 0.00 58.87 55.91 1ilu n SER 51 Cb 0.52 2.29 0.05 0.00 -0.26 0.00 0.00 64.21 66.81 1ilu n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ilu s THR 52 N -2.52 3.65 0.28 6.66 -4.23 -1.26 -1.41 115.64 116.82 1ilu s THR 52 Ca 0.15 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1ilu s THR 52 Cb -0.02 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.88 1ilu s THR 52 CO 0.11 -0.61 1.87 0.00 -0.54 0.00 0.00 174.62 175.45 1ilu h ALA 53 N -0.43 1.48 0.00 3.99 0.00 -0.87 -0.01 119.26 123.43 1ilu h ALA 53 Ca -0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1ilu h ALA 53 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ilu h ALA 53 CO 0.55 0.33 -0.23 0.00 0.00 0.00 0.00 179.25 179.90 1ilu h ALA 54 N 1.50 1.13 0.00 0.00 0.00 -1.92 -3.28 119.26 116.69 1ilu h ALA 54 Ca 0.44 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1ilu h ALA 54 Cb 0.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ilu h ALA 54 CO -0.20 0.29 -1.46 -0.25 0.00 0.00 0.00 179.25 177.64 1ilu n ASP 55 N -3.56 0.66 -0.36 0.00 8.00 -0.07 -4.60 116.55 116.63 1ilu n ASP 55 Ca -0.01 0.28 -0.03 0.00 0.71 0.00 0.00 54.79 55.74 1ilu n ASP 55 Cb 0.38 0.58 0.01 0.00 -0.02 0.00 0.00 41.12 42.07 1ilu n ASP 55 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1ilu n MET 56 N -2.72 -0.25 -0.06 -1.24 1.56 -0.88 -1.88 117.12 111.65 1ilu n MET 56 Ca -0.08 1.39 -0.02 0.00 -0.27 0.00 0.00 57.70 58.72 1ilu n MET 56 Cb 0.74 -2.06 0.23 0.00 2.15 0.00 0.00 33.22 34.27 1ilu n MET 56 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1ilu h GLN 57 N 0.00 0.66 -0.28 2.12 5.75 -1.82 -0.20 115.11 121.33 1ilu h GLN 57 Ca 0.28 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1ilu h GLN 57 Cb 0.51 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1ilu h GLN 57 CO -0.89 0.68 0.09 0.78 -2.65 0.00 0.00 178.83 176.83 1ilu h GLY 58 N 0.92 0.47 1.00 2.39 0.00 -1.68 -0.22 103.07 105.95 1ilu h GLY 58 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1ilu h GLY 58 CO 0.01 0.26 0.39 -2.08 0.00 0.00 0.00 176.54 175.12 1ilu h VAL 59 N 0.29 1.20 -0.30 4.60 2.07 -0.99 -0.44 116.25 122.68 1ilu h VAL 59 Ca 0.09 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ilu h VAL 59 Cb 0.24 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1ilu h VAL 59 CO -0.00 0.21 0.15 0.58 0.02 0.00 0.00 177.57 178.53 1ilu h VAL 60 N 0.90 1.15 -0.48 2.57 2.07 -0.90 -0.03 116.25 121.53 1ilu h VAL 60 Ca 0.24 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1ilu h VAL 60 Cb -0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1ilu h VAL 60 CO -0.04 0.15 -0.02 0.74 0.02 0.00 0.00 177.57 178.42 1ilu h THR 61 N 0.35 1.26 0.00 2.57 2.02 -0.66 -2.26 112.91 116.19 1ilu h THR 61 Ca 0.10 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.10 1ilu h THR 61 Cb 0.11 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1ilu h THR 61 CO -0.01 0.38 -0.46 0.44 0.37 0.00 0.00 175.52 176.24 1ilu h ASP 62 N 0.71 0.00 -0.36 4.18 3.32 -1.07 -3.14 116.42 120.05 1ilu h ASP 62 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1ilu h ASP 62 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1ilu h ASP 62 CO 0.03 0.38 0.15 1.23 -1.72 0.00 0.00 179.24 179.31 1ilu h GLY 63 N 3.64 0.58 0.59 2.75 0.00 -0.94 -2.55 103.07 107.15 1ilu h GLY 63 Ca -0.01 -0.31 0.14 0.00 0.00 0.00 0.00 47.33 47.14 1ilu h GLY 63 CO 0.05 0.29 0.55 1.98 0.00 0.00 0.00 176.54 179.42 1ilu h MET 64 N 0.44 0.63 0.00 4.80 1.85 -1.39 -1.62 114.93 119.64 1ilu h MET 64 Ca 0.12 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.07 1ilu h MET 64 Cb 0.17 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1ilu h MET 64 CO -0.01 0.41 -0.49 0.00 -0.40 0.00 0.00 176.91 176.43 1ilu h ALA 65 N 1.61 1.08 0.00 0.39 0.00 -1.42 -3.26 119.26 117.66 1ilu h ALA 65 Ca 0.42 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ilu h ALA 65 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ilu h ALA 65 CO -0.18 0.61 -0.34 0.77 0.00 0.00 0.00 179.25 180.11 1ilu h SER 66 N 0.00 0.00 -4.35 0.00 0.02 -1.01 -3.49 113.55 104.72 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 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1ilu h SER 66 CO 0.06 0.34 0.00 0.61 -1.14 0.00 0.00 176.83 176.70 1ilu n GLY 67 N 0.04 -0.79 0.29 -3.77 0.00 -1.22 -4.28 105.19 95.46 1ilu n GLY 67 Ca -0.01 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 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 0.88 -1.84 0.99 5.85 -1.91 -0.25 115.31 119.03 1ilu h LEU 68 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1ilu h LEU 68 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1ilu h LEU 68 CO 0.00 0.72 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.56 1ilu h ASP 69 N 0.96 0.06 -0.31 1.25 2.03 -2.02 0.65 116.42 119.03 1ilu h ASP 69 Ca 0.25 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1ilu h ASP 69 Cb 0.04 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1ilu h ASP 69 CO -0.04 0.10 0.00 0.29 -1.03 0.00 0.00 179.24 178.56 1ilu n LYS 70 N -4.47 1.94 -2.95 4.15 4.76 -1.02 -4.90 118.16 115.67 1ilu n LYS 70 Ca -0.02 -1.22 -0.20 0.00 -2.87 0.00 0.00 58.31 54.00 1ilu n LYS 70 Cb 0.13 -1.36 0.00 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 0.42 -4.50 -4.02 4.39 8.00 0.22 -2.54 116.55 118.53 1ilu n ASP 71 Ca 0.11 -0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.15 1ilu n ASP 71 Cb 0.35 -3.72 -0.01 0.00 -0.02 0.00 0.00 41.12 37.72 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 -3.93 -1.80 -3.86 1.24 4.01 -0.13 -4.71 117.16 107.98 1ilu n TYR 72 Ca -0.09 0.79 -0.15 0.00 -0.16 0.00 0.00 57.90 58.29 1ilu n TYR 72 Cb 0.59 -3.57 -0.16 0.00 -0.31 0.00 0.00 39.34 35.89 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 -7.09 1.31 0.04 7.72 1.43 -1.05 -4.14 118.68 116.89 1ilu s LEU 73 Ca 0.34 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1ilu s LEU 73 Cb -0.18 -0.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 1ilu s LEU 73 CO 0.89 -0.09 1.52 -0.75 0.23 0.00 0.00 176.35 178.15 1ilu s LYS 74 N 0.81 4.24 0.37 1.70 2.20 -1.26 -4.86 119.74 122.94 1ilu s LYS 74 Ca -0.07 2.15 -0.26 0.00 -0.36 0.00 0.00 55.97 57.43 1ilu s LYS 74 Cb -0.10 -3.56 -0.12 0.00 -1.51 0.00 0.00 37.83 32.53 1ilu s LYS 74 CO -0.02 -0.65 1.07 -2.30 -0.36 0.00 0.00 175.35 173.10 1ilu n PRO 75 N 5.40 1.53 -2.78 4.03 -0.02 -1.26 -2.64 135.00 139.26 1ilu n PRO 75 Ca 0.14 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1ilu n PRO 75 Cb 0.42 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.77 -2.56 -4.55 2.55 9.92 -1.26 -4.85 116.55 116.57 1ilu n ASP 76 Ca 0.08 0.11 -0.39 0.00 -0.53 0.00 0.00 54.79 54.07 1ilu n ASP 76 Cb 0.36 -2.22 -0.04 0.00 -0.64 0.00 0.00 41.12 38.58 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ilu n ASP 77 N -1.82 2.39 0.09 -2.24 -0.08 -1.08 -4.83 116.55 108.99 1ilu n ASP 77 Ca -0.05 -0.24 0.05 0.00 -1.51 0.00 0.00 54.79 53.05 1ilu n ASP 77 Cb 0.54 -1.51 0.28 0.00 2.34 0.00 0.00 41.12 42.76 1ilu n ASP 77 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ilu n SER 78 N 14.21 0.26 0.03 1.67 3.41 -1.26 -1.61 113.62 130.33 1ilu n SER 78 Ca 0.38 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.67 1ilu n SER 78 Cb 0.47 -0.58 0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1ilu n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ilu n ARG 79 N -1.84 0.21 -3.15 4.33 1.74 -1.26 -4.85 116.66 111.84 1ilu n ARG 79 Ca -0.01 0.03 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 1ilu n ARG 79 Cb 0.11 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1ilu n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ilu s VAL 80 N -3.13 4.90 -0.11 1.55 1.01 -0.63 -4.51 120.40 119.48 1ilu s VAL 80 Ca 0.07 1.33 0.16 0.00 0.00 0.00 0.00 61.98 63.54 1ilu s VAL 80 Cb 0.15 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 32.35 1ilu s VAL 80 CO 0.75 0.38 0.56 -0.38 0.00 0.00 0.00 175.10 176.41 1ilu n ILE 81 N 2.91 1.26 -3.58 2.22 5.41 -0.34 -5.00 119.36 122.25 1ilu n ILE 81 Ca -0.05 -0.75 -0.09 0.00 1.00 0.00 0.00 62.75 62.86 1ilu n ILE 81 Cb 0.51 -0.70 -0.05 0.00 -0.71 0.00 0.00 39.64 38.70 1ilu n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ilu s ALA 82 N -2.77 -1.95 -0.05 -1.39 0.00 -1.26 -5.00 121.76 109.35 1ilu s ALA 82 Ca -0.06 1.58 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1ilu s ALA 82 Cb 0.08 -0.68 0.08 0.00 0.00 0.00 0.00 23.12 22.60 1ilu s ALA 82 CO 0.83 -0.35 0.74 -3.38 0.00 0.00 0.00 175.76 173.60 1ilu s HIS 83 N -1.33 -0.58 0.54 0.00 -3.43 -1.26 -1.03 115.29 108.19 1ilu s HIS 83 Ca 0.01 0.93 -0.02 0.00 -0.80 0.00 0.00 55.06 55.17 1ilu s HIS 83 Cb -0.01 0.44 0.11 0.00 -1.43 0.00 0.00 32.58 31.69 1ilu s HIS 83 CO -0.01 -0.58 0.74 0.25 -2.00 0.00 0.00 174.74 173.15 1ilu n THR 84 N 0.71 0.00 -2.32 -5.38 -2.24 -0.11 -4.86 114.28 100.08 1ilu n THR 84 Ca -0.17 -1.01 -0.26 0.00 -2.27 0.00 0.00 64.05 60.34 1ilu n THR 84 Cb 0.58 -1.17 0.05 0.00 -2.10 0.00 0.00 70.33 67.69 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 -4.43 2.60 0.03 -0.78 -0.14 -1.26 -4.64 119.74 111.11 1ilu s LYS 85 Ca 0.47 -0.13 -0.27 0.00 -1.36 0.00 0.00 55.97 54.68 1ilu s LYS 85 Cb -0.02 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 1ilu s LYS 85 CO 0.32 -0.93 0.86 -1.17 -0.76 0.00 0.00 175.35 173.67 1ilu s LEU 86 N -5.09 4.41 0.11 3.17 2.96 -1.26 -4.41 118.68 118.57 1ilu s LEU 86 Ca 0.57 1.54 0.08 0.00 -0.22 0.00 0.00 54.13 56.09 1ilu s LEU 86 Cb -0.11 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1ilu s LEU 86 CO 0.45 -0.11 -0.19 0.27 -1.32 0.00 0.00 176.35 175.45 1ilu s ILE 87 N 0.43 1.63 0.43 6.68 -4.36 -0.12 -4.89 121.20 120.99 1ilu s ILE 87 Ca 0.44 -1.60 0.07 0.00 -0.26 0.00 0.00 60.65 59.30 1ilu s ILE 87 Cb -0.21 -1.55 0.07 0.00 1.25 0.00 0.00 42.46 42.02 1ilu s ILE 87 CO 0.25 -0.16 0.55 0.61 0.24 0.00 0.00 174.94 176.43 1ilu n GLY 88 N 0.91 2.08 3.77 6.27 0.00 -1.26 -1.94 105.19 115.01 1ilu n GLY 88 Ca -0.18 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.23 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 -3.64 6.12 0.00 1.61 0.01 -1.00 -1.75 113.70 115.05 1ilu s SER 89 Ca 0.42 2.71 0.00 0.00 1.31 0.00 0.00 55.95 60.39 1ilu s SER 89 Cb -0.03 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1ilu s SER 89 CO 0.27 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.54 1ilu n GLY 90 N 0.64 2.07 3.94 3.44 0.00 -0.83 -4.99 105.19 109.46 1ilu n GLY 90 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.04 2.84 -0.07 1.61 2.02 -0.71 -4.91 118.70 119.43 1ilu s GLU 91 Ca 0.00 -0.29 -0.10 0.00 0.02 0.00 0.00 54.97 54.60 1ilu s GLU 91 Cb 0.00 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.87 1ilu s GLU 91 CO 0.00 -0.62 0.26 0.21 0.02 0.00 0.00 175.26 175.13 1ilu s LYS 92 N -4.85 0.39 0.11 1.61 2.47 -1.26 -2.70 119.74 115.51 1ilu s LYS 92 Ca 0.53 0.19 -0.12 0.00 -1.56 0.00 0.00 55.97 55.01 1ilu s LYS 92 Cb -0.10 0.18 0.01 0.00 -1.46 0.00 0.00 37.83 36.46 1ilu s LYS 92 CO 0.42 -0.07 0.29 0.34 0.16 0.00 0.00 175.35 176.49 1ilu s ASP 93 N -0.28 -0.03 0.02 1.43 2.15 -0.54 -5.01 116.67 114.40 1ilu s ASP 93 Ca -0.04 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.41 1ilu s ASP 93 Cb -0.03 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 42.98 1ilu s ASP 93 CO 0.01 -0.80 -0.03 -0.44 -0.17 0.00 0.00 175.17 173.74 1ilu s SER 94 N -2.85 0.26 -0.03 -0.34 0.01 -1.26 -0.61 113.70 108.88 1ilu s SER 94 Ca 0.05 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.89 1ilu s SER 94 Cb 0.03 0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.37 1ilu s SER 94 CO -0.10 -0.23 0.07 0.54 0.41 0.00 0.00 173.24 173.92 1ilu s VAL 95 N -1.18 -0.05 -0.06 3.43 0.11 -0.29 -4.92 120.40 117.44 1ilu s VAL 95 Ca -0.12 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1ilu s VAL 95 Cb -0.08 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1ilu s VAL 95 CO -0.01 0.08 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.83 1ilu s THR 96 N 1.00 3.22 0.05 5.04 2.01 -1.26 -1.42 115.64 124.28 1ilu s THR 96 Ca -0.08 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 1ilu s THR 96 Cb -0.11 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1ilu s THR 96 CO -0.04 0.58 -0.03 0.72 -0.69 0.00 0.00 174.62 175.17 1ilu s PHE 97 N -0.62 0.50 -0.01 4.92 -0.71 -0.33 -4.91 117.98 116.82 1ilu s PHE 97 Ca 0.09 -1.02 -0.30 0.00 -1.04 0.00 0.00 56.93 54.66 1ilu s PHE 97 Cb -0.11 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.29 1ilu s PHE 97 CO 0.01 -0.36 1.16 -0.51 -1.34 0.00 0.00 175.22 174.17 1ilu s ASP 98 N -2.80 7.12 0.53 1.98 1.11 -1.26 -1.42 116.67 121.93 1ilu s ASP 98 Ca 0.05 1.85 0.31 0.00 0.18 0.00 0.00 52.55 54.94 1ilu s ASP 98 Cb 0.06 -2.57 1.47 0.00 1.07 0.00 0.00 42.92 42.96 1ilu s ASP 98 CO -0.09 -0.48 2.05 0.58 1.18 0.00 0.00 175.17 178.40 1ilu h VAL 99 N 4.80 0.36 -0.09 -1.27 2.07 -1.65 -2.29 116.25 118.17 1ilu h VAL 99 Ca -0.38 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.61 1ilu h VAL 99 Cb 1.19 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ilu h VAL 99 CO 0.83 0.09 0.13 0.77 0.02 0.00 0.00 177.57 179.42 1ilu h SER 100 N 0.00 0.00 0.46 0.57 4.64 -1.88 -0.42 113.55 116.92 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 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ilu h SER 100 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1ilu n LYS 101 N -3.62 0.12 -3.68 4.77 5.02 -0.86 -4.53 118.16 115.38 1ilu n LYS 101 Ca -0.01 0.17 -0.38 0.00 -2.02 0.00 0.00 58.31 56.07 1ilu n LYS 101 Cb 0.23 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.79 4.15 0.23 -0.35 1.43 -0.17 -5.06 118.68 116.11 1ilu s LEU 102 Ca 0.12 -0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 1ilu s LEU 102 Cb 0.11 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.28 1ilu s LEU 102 CO 0.29 -0.23 0.88 -0.75 0.23 0.00 0.00 176.35 176.77 1ilu s LYS 103 N 1.56 4.72 0.34 1.70 2.20 -1.26 -5.06 119.74 123.94 1ilu s LYS 103 Ca 0.03 1.35 -0.26 0.00 -0.36 0.00 0.00 55.97 56.74 1ilu s LYS 103 Cb -0.18 -3.21 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 1ilu s LYS 103 CO 0.05 0.51 0.96 -2.00 -0.36 0.00 0.00 175.35 174.50 1ilu s GLU 104 N -1.29 4.52 0.00 4.03 2.56 -1.26 -3.59 118.70 123.67 1ilu s GLU 104 Ca 0.40 1.34 0.00 0.00 0.00 0.00 0.00 54.97 56.71 1ilu s GLU 104 Cb -0.24 -2.73 0.00 0.00 2.00 0.00 0.00 34.13 33.16 1ilu s GLU 104 CO 0.29 0.21 0.00 0.41 -0.56 0.00 0.00 175.26 175.61 1ilu n GLY 105 N 0.45 0.71 3.07 -1.50 0.00 -1.26 -5.07 105.19 101.60 1ilu n GLY 105 Ca 0.03 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.96 0.57 -0.20 1.61 2.12 -1.24 -5.14 118.70 115.46 1ilu s GLU 106 Ca 0.00 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.33 1ilu s GLU 106 Cb 0.00 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.33 1ilu s GLU 106 CO 0.00 -0.03 -0.06 -1.14 -0.54 0.00 0.00 175.26 173.49 1ilu s GLN 107 N -2.65 3.38 0.31 4.30 2.00 -1.26 -5.00 119.66 120.73 1ilu s GLN 107 Ca -0.02 -0.64 0.10 0.00 -2.00 0.00 0.00 55.36 52.81 1ilu s GLN 107 Cb -0.02 -2.92 -0.05 0.00 0.80 0.00 0.00 33.01 30.82 1ilu s GLN 107 CO -0.04 -0.10 -0.10 0.71 -0.50 0.00 0.00 175.29 175.26 1ilu s TYR 108 N 1.20 2.42 0.01 1.67 1.51 -1.26 -0.22 117.35 122.69 1ilu s TYR 108 Ca 0.02 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.69 1ilu s TYR 108 Cb -0.14 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1ilu s TYR 108 CO -0.02 0.62 -0.01 -1.64 -1.11 0.00 0.00 175.55 173.38 1ilu s MET 109 N -3.60 0.26 -0.07 -0.62 -1.94 -0.50 -2.66 119.30 110.18 1ilu s MET 109 Ca 0.32 -0.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.87 1ilu s MET 109 Cb -0.02 0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 1ilu s MET 109 CO 0.17 -0.04 -0.23 -1.12 -0.01 0.00 0.00 175.02 173.79 1ilu s SER 110 N -1.18 3.28 0.15 3.03 0.01 -0.57 -1.89 113.70 116.52 1ilu s SER 110 Ca -0.13 -0.46 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 1ilu s SER 110 Cb -0.08 -0.98 0.04 0.00 0.21 0.00 0.00 66.02 65.21 1ilu s SER 110 CO -0.01 0.24 0.46 0.72 0.41 0.00 0.00 173.24 175.06 1ilu s PHE 111 N -0.12 -0.19 -0.37 2.43 -0.71 -0.74 -0.38 117.98 117.90 1ilu s PHE 111 Ca -0.04 -0.12 -0.14 0.00 -1.04 0.00 0.00 56.93 55.59 1ilu s PHE 111 Cb -0.14 0.33 -0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1ilu s PHE 111 CO 0.04 -0.79 0.28 0.00 -1.34 0.00 0.00 175.22 173.41 1ilu n THR 113 N 5.15 0.62 -1.60 0.00 -2.24 -1.26 -2.44 114.28 112.49 1ilu n THR 113 Ca -0.12 -0.02 -0.50 0.00 -2.27 0.00 0.00 64.05 61.15 1ilu n THR 113 Cb 0.49 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.05 1.60 -1.77 4.78 -0.00 -1.26 -4.58 117.46 114.18 1ilu n PHE 114 Ca 0.04 0.59 -0.42 0.00 -0.00 0.00 0.00 57.45 57.66 1ilu n PHE 114 Cb 0.32 -2.35 -0.03 0.00 -0.00 0.00 0.00 39.48 37.42 1ilu n PHE 114 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1ilu s PRO 115 N 0.18 4.15 0.00 -7.13 0.04 -1.26 -0.45 135.00 130.52 1ilu s PRO 115 Ca 0.79 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.34 1ilu s PRO 115 Cb -0.86 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1ilu s PRO 115 CO 0.48 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1ilu n GLY 116 N 4.32 2.22 0.13 0.56 0.00 -1.26 -4.93 105.19 106.23 1ilu n GLY 116 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 0.75 -0.99 1.61 3.86 -1.01 -3.37 115.15 116.01 1ilu h HIS 117 Ca 0.00 -0.55 0.29 0.00 -1.16 0.00 0.00 60.37 58.95 1ilu h HIS 117 Cb 0.00 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 1ilu h HIS 117 CO 0.00 1.49 0.83 0.66 0.86 0.00 0.00 177.93 181.77 1ilu h SER 118 N -0.09 0.00 -0.42 2.45 4.64 -1.60 0.19 113.55 118.71 1ilu h SER 118 Ca -0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1ilu h SER 118 Cb 1.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.01 1ilu h SER 118 CO 0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.09 1ilu h ALA 119 N 1.27 0.96 0.01 5.18 0.00 -1.89 -3.27 119.26 121.52 1ilu h ALA 119 Ca 0.47 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 54.69 1ilu h ALA 119 Cb 2.12 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1ilu h ALA 119 CO -0.00 0.62 -2.38 1.28 0.00 0.00 0.00 179.25 178.77 1ilu n LEU 120 N -4.17 1.92 -4.19 0.00 4.77 -0.52 -4.68 117.00 110.13 1ilu n LEU 120 Ca 0.02 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1ilu n LEU 120 Cb 0.36 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ilu n LEU 120 CO 0.43 0.77 1.71 0.23 -1.33 0.00 0.00 177.39 179.20 1ilu n MET 121 N -3.11 3.45 -3.84 3.23 2.81 0.54 -4.86 117.12 115.35 1ilu n MET 121 Ca -0.39 -3.64 -0.11 0.00 -1.81 0.00 0.00 57.70 51.74 1ilu n MET 121 Cb 1.05 -3.02 -0.09 0.00 -0.71 0.00 0.00 33.22 30.45 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 1.25 0.59 0.23 0.03 -2.85 -1.25 -1.12 119.74 116.62 1ilu s LYS 122 Ca 0.42 -0.42 -0.22 0.00 -1.00 0.00 0.00 55.97 54.75 1ilu s LYS 122 Cb 0.03 0.25 0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1ilu s LYS 122 CO 0.00 -0.16 0.77 0.20 0.10 0.00 0.00 175.35 176.27 1ilu s GLY 123 N -1.58 -0.19 0.44 0.59 0.00 0.49 -4.82 107.32 102.24 1ilu s GLY 123 Ca -0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 1ilu s GLY 123 CO 0.01 -0.03 0.68 -0.51 0.00 0.00 0.00 173.10 173.25 1ilu s THR 124 N -3.72 4.60 -0.06 0.90 -4.23 -1.21 -1.52 115.64 110.40 1ilu s THR 124 Ca 0.10 -0.24 -0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1ilu s THR 124 Cb -0.04 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.11 1ilu s THR 124 CO 0.03 -0.57 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.30 1ilu s LEU 125 N -4.57 0.91 -0.11 4.79 2.96 -1.09 -1.40 118.68 120.18 1ilu s LEU 125 Ca 0.46 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1ilu s LEU 125 Cb -0.10 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 1ilu s LEU 125 CO 0.40 -0.14 -0.06 0.42 -1.32 0.00 0.00 176.35 175.66 1ilu s THR 126 N 1.56 3.77 -0.30 3.68 -4.23 0.01 -4.34 115.64 115.78 1ilu s THR 126 Ca -0.01 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.96 1ilu s THR 126 Cb -0.13 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 1ilu s THR 126 CO -0.04 0.55 0.19 -0.22 -0.54 0.00 0.00 174.62 174.56 1ilu s LEU 127 N -0.19 4.13 0.00 4.79 1.98 -1.26 0.36 118.68 128.49 1ilu s LEU 127 Ca 0.03 -0.25 0.00 0.00 -2.89 0.00 0.00 54.13 51.02 1ilu s LEU 127 Cb -0.13 -2.08 0.00 0.00 0.66 0.00 0.00 46.19 44.64 1ilu s LEU 127 CO 0.03 -0.13 0.09 2.29 -1.89 0.00 0.00 176.35 176.73