#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 3.37 -1.37 0.00 2.02 -1.26 -3.72 118.70 117.74 1ilu s GLU 2 Ca 0.00 0.57 -0.12 0.00 0.02 0.00 0.00 54.97 55.44 1ilu s GLU 2 Cb 0.00 -4.10 0.09 0.00 0.10 0.00 0.00 34.13 30.23 1ilu s GLU 2 CO 0.00 -1.85 0.57 0.00 0.02 0.00 0.00 175.26 174.00 1ilu s SER 4 N -2.86 -0.23 0.05 0.00 1.04 -1.24 -2.38 113.70 108.07 1ilu s SER 4 Ca 0.49 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1ilu s SER 4 Cb -0.26 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1ilu s SER 4 CO 0.60 -0.79 -0.04 0.54 0.98 0.00 0.00 173.24 174.54 1ilu s VAL 5 N -3.37 0.29 -0.15 5.02 0.11 -0.49 0.34 120.40 122.14 1ilu s VAL 5 Ca 0.00 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 1ilu s VAL 5 Cb 0.01 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1ilu s VAL 5 CO -0.09 -0.76 -0.14 -1.81 -3.33 0.00 0.00 175.10 168.98 1ilu s ASP 6 N -2.33 2.75 0.08 3.54 1.11 -1.26 -1.42 116.67 119.14 1ilu s ASP 6 Ca -0.01 -0.53 0.08 0.00 0.18 0.00 0.00 52.55 52.27 1ilu s ASP 6 Cb -0.00 -1.18 -0.03 0.00 1.07 0.00 0.00 42.92 42.78 1ilu s ASP 6 CO -0.05 -0.07 -0.22 -0.51 1.18 0.00 0.00 175.17 175.50 1ilu s ILE 7 N 1.48 1.83 -0.06 0.77 2.07 -0.02 -4.94 121.20 122.34 1ilu s ILE 7 Ca 0.04 -1.44 0.03 0.00 -1.41 0.00 0.00 60.65 57.87 1ilu s ILE 7 Cb -0.13 -1.62 0.00 0.00 0.13 0.00 0.00 42.46 40.84 1ilu s ILE 7 CO -0.10 0.10 -0.15 -1.10 -1.91 0.00 0.00 174.94 171.77 1ilu s GLN 8 N -1.61 1.84 -0.23 3.50 -0.21 -1.26 -1.77 119.66 119.92 1ilu s GLN 8 Ca 0.09 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 54.89 1ilu s GLN 8 Cb -0.10 -1.53 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1ilu s GLN 8 CO 0.03 0.14 -0.04 0.20 -2.12 0.00 0.00 175.29 173.50 1ilu s GLY 9 N 0.34 1.62 0.31 3.09 0.00 -0.75 -2.31 107.32 109.61 1ilu s GLY 9 Ca -0.10 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.42 1ilu s GLY 9 CO 0.03 0.46 0.36 1.16 0.00 0.00 0.00 173.10 175.11 1ilu n ASN 10 N 4.77 1.43 0.02 1.64 0.23 -1.13 -3.02 115.26 119.19 1ilu n ASN 10 Ca -0.18 -1.90 0.10 0.00 -0.53 0.00 0.00 54.58 52.07 1ilu n ASN 10 Cb 0.50 -0.16 0.45 0.00 -2.08 0.00 0.00 39.78 38.49 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 -2.39 0.11 -1.22 0.53 9.92 -1.22 -2.78 116.55 119.50 1ilu n ASP 11 Ca 0.05 0.52 0.06 0.00 -0.53 0.00 0.00 54.79 54.90 1ilu n ASP 11 Cb 0.33 -0.54 0.25 0.00 -0.64 0.00 0.00 41.12 40.52 1ilu n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ilu n GLN 12 N -1.61 2.98 -3.19 -1.24 3.00 -1.26 -4.91 117.38 111.15 1ilu n GLN 12 Ca 0.05 -2.02 -0.23 0.00 -0.01 0.00 0.00 57.00 54.79 1ilu n GLN 12 Cb 0.26 -1.73 0.04 0.00 0.00 0.00 0.00 30.24 28.81 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 0.71 -5.48 -4.39 -1.09 1.56 -1.12 -4.98 117.12 102.33 1ilu n MET 13 Ca 0.18 0.86 -0.28 0.00 -0.27 0.00 0.00 57.70 58.19 1ilu n MET 13 Cb 0.68 -5.76 -0.13 0.00 2.15 0.00 0.00 33.22 30.16 1ilu n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1ilu s GLN 14 N -5.88 1.42 -0.17 2.12 -0.21 -1.26 -4.16 119.66 111.52 1ilu s GLN 14 Ca 0.38 -1.40 -0.05 0.00 0.02 0.00 0.00 55.36 54.31 1ilu s GLN 14 Cb -0.17 -1.84 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 1ilu s GLN 14 CO 0.47 0.42 0.00 -0.06 -2.12 0.00 0.00 175.29 174.00 1ilu s PHE 15 N -1.29 3.11 0.40 0.91 0.08 -1.26 -2.85 117.98 117.07 1ilu s PHE 15 Ca 0.16 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.12 1ilu s PHE 15 Cb -0.09 -2.01 0.82 0.00 -0.57 0.00 0.00 43.02 41.17 1ilu s PHE 15 CO 0.07 0.02 1.98 -2.95 -0.10 0.00 0.00 175.22 174.25 1ilu h ASN 16 N 6.74 0.36 -3.94 1.36 -1.07 -1.86 -3.40 115.58 113.77 1ilu h ASN 16 Ca -0.33 -0.04 -0.67 0.00 0.07 0.00 0.00 56.30 55.33 1ilu h ASN 16 Cb 1.18 -0.09 -0.32 0.00 -2.07 0.00 0.00 38.32 37.02 1ilu h ASN 16 CO 0.65 0.37 -0.88 0.28 0.07 0.00 0.00 177.43 177.93 1ilu s THR 17 N -5.11 1.96 -0.21 6.14 -1.32 -1.26 -5.00 115.64 110.84 1ilu s THR 17 Ca -0.07 -1.01 0.11 0.00 -1.21 0.00 0.00 61.69 59.51 1ilu s THR 17 Cb 0.16 -1.66 0.42 0.00 -1.51 0.00 0.00 72.50 69.91 1ilu s THR 17 CO 0.73 0.55 1.22 -0.46 -2.21 0.00 0.00 174.62 174.45 1ilu n ASN 18 N 3.03 1.78 -3.56 8.08 6.94 -1.26 -4.91 115.26 125.35 1ilu n ASN 18 Ca -0.18 -3.88 -0.01 0.00 -0.02 0.00 0.00 54.58 50.50 1ilu n ASN 18 Cb 0.52 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1ilu n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ilu s ALA 19 N -3.20 -2.30 -0.02 -2.53 0.00 -1.26 -3.04 121.76 109.42 1ilu s ALA 19 Ca 0.38 2.23 0.07 0.00 0.00 0.00 0.00 51.96 54.64 1ilu s ALA 19 Cb 0.37 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1ilu s ALA 19 CO -0.07 -0.81 -0.22 0.42 0.00 0.00 0.00 175.76 175.08 1ilu s ILE 20 N 2.41 1.76 -0.13 0.00 1.01 0.29 -4.95 121.20 121.59 1ilu s ILE 20 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1ilu s ILE 20 Cb -0.08 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1ilu s ILE 20 CO -0.18 0.50 -0.22 -0.89 0.00 0.00 0.00 174.94 174.15 1ilu s THR 21 N -0.50 2.14 -0.13 2.92 2.01 -1.26 -0.71 115.64 120.12 1ilu s THR 21 Ca 0.08 -0.96 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 1ilu s THR 21 Cb -0.09 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1ilu s THR 21 CO -0.01 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 1ilu s VAL 22 N 0.69 4.59 -0.08 3.82 1.01 0.38 -4.96 120.40 125.86 1ilu s VAL 22 Ca -0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 1ilu s VAL 22 Cb -0.16 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1ilu s VAL 22 CO 0.01 0.55 0.18 -0.62 0.00 0.00 0.00 175.10 175.22 1ilu s ASP 23 N -0.37 6.42 0.23 3.32 2.15 -1.26 -0.95 116.67 126.21 1ilu s ASP 23 Ca 0.08 0.49 0.18 0.00 0.43 0.00 0.00 52.55 53.73 1ilu s ASP 23 Cb -0.12 -2.07 0.90 0.00 -0.30 0.00 0.00 42.92 41.33 1ilu s ASP 23 CO 0.02 0.36 1.56 0.29 -0.17 0.00 0.00 175.17 177.23 1ilu n LYS 24 N 1.68 0.12 0.12 4.34 5.02 0.32 -1.94 118.16 127.82 1ilu n LYS 24 Ca -0.17 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 1ilu n LYS 24 Cb 0.54 -1.83 0.47 0.00 -0.02 0.00 0.00 35.03 34.19 1ilu n LYS 24 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ilu n SER 25 N -2.08 0.62 -4.71 4.39 7.64 -1.26 -4.69 113.62 113.52 1ilu n SER 25 Ca 0.00 0.64 -0.41 0.00 1.01 0.00 0.00 58.87 60.11 1ilu n SER 25 Cb 0.10 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 1ilu n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ilu h LYS 27 N 6.79 0.01 -4.65 0.00 6.56 -1.89 -3.43 116.57 119.97 1ilu h LYS 27 Ca -0.41 -0.02 -0.35 0.00 -1.06 0.00 0.00 60.65 58.82 1ilu h LYS 27 Cb 1.21 0.01 -0.26 0.00 -0.57 0.00 0.00 32.23 32.62 1ilu h LYS 27 CO 0.75 0.71 -0.76 -0.65 -2.06 0.00 0.00 179.45 177.44 1ilu s GLN 28 N -2.64 0.61 -0.05 3.15 -0.21 -1.26 -0.81 119.66 118.45 1ilu s GLN 28 Ca -0.03 -0.47 0.06 0.00 0.02 0.00 0.00 55.36 54.93 1ilu s GLN 28 Cb 0.09 -0.53 -0.01 0.00 1.00 0.00 0.00 33.01 33.55 1ilu s GLN 28 CO 0.82 0.13 -0.22 0.12 -2.12 0.00 0.00 175.29 174.02 1ilu s PHE 29 N -0.62 2.15 -0.13 0.91 2.19 -0.35 -4.85 117.98 117.29 1ilu s PHE 29 Ca -0.01 -0.59 -0.00 0.00 0.33 0.00 0.00 56.93 56.65 1ilu s PHE 29 Cb -0.06 -1.42 -0.02 0.00 -1.31 0.00 0.00 43.02 40.22 1ilu s PHE 29 CO 0.00 -0.17 -0.12 0.99 1.83 0.00 0.00 175.22 177.75 1ilu s THR 30 N -0.18 3.13 -0.12 0.12 2.01 -1.00 -1.96 115.64 117.65 1ilu s THR 30 Ca -0.01 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 1ilu s THR 30 Cb -0.12 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1ilu s THR 30 CO 0.02 0.53 0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 1ilu s VAL 31 N 0.28 4.33 -0.21 3.82 1.01 -0.50 -1.39 120.40 127.74 1ilu s VAL 31 Ca -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1ilu s VAL 31 Cb -0.15 -2.86 0.04 0.00 0.00 0.00 0.00 36.38 33.40 1ilu s VAL 31 CO 0.05 0.56 -0.14 0.20 0.00 0.00 0.00 175.10 175.77 1ilu s ASN 32 N -0.43 3.68 -0.08 3.32 0.01 -0.50 -1.74 114.94 119.20 1ilu s ASN 32 Ca 0.08 -0.98 0.02 0.00 -0.71 0.00 0.00 52.86 51.26 1ilu s ASN 32 Cb -0.12 -1.44 -0.02 0.00 0.41 0.00 0.00 41.25 40.07 1ilu s ASN 32 CO 0.02 -0.11 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.17 1ilu s LEU 33 N 1.25 2.87 0.08 0.60 2.96 -0.21 -0.84 118.68 125.39 1ilu s LEU 33 Ca -0.02 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1ilu s LEU 33 Cb -0.16 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1ilu s LEU 33 CO -0.09 0.30 -0.18 -0.94 -1.32 0.00 0.00 176.35 174.12 1ilu s SER 34 N -0.47 2.20 -0.49 3.68 1.04 -0.73 -1.53 113.70 117.41 1ilu s SER 34 Ca 0.06 -0.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1ilu s SER 34 Cb -0.12 -0.11 0.13 0.00 0.10 0.00 0.00 66.02 66.02 1ilu s SER 34 CO 0.02 0.02 0.27 -2.28 0.98 0.00 0.00 173.24 172.25 1ilu s HIS 35 N -1.15 3.49 0.36 5.02 2.46 -0.65 -1.81 115.29 123.02 1ilu s HIS 35 Ca 0.03 -2.72 -0.27 0.00 0.47 0.00 0.00 55.06 52.57 1ilu s HIS 35 Cb -0.10 -3.11 -0.12 0.00 -0.13 0.00 0.00 32.58 29.12 1ilu s HIS 35 CO 0.03 -0.89 1.31 -0.35 -2.47 0.00 0.00 174.74 172.37 1ilu n PRO 36 N 3.95 2.15 0.00 2.88 -0.04 -1.17 -1.03 135.00 141.75 1ilu n PRO 36 Ca 0.03 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1ilu n PRO 36 Cb 0.39 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1ilu n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ilu n GLY 37 N 0.74 0.97 0.00 0.55 0.00 -1.26 -3.46 105.19 102.73 1ilu n GLY 37 Ca 0.05 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 2.10 3.12 -4.74 1.61 4.13 -1.26 -4.54 115.26 115.68 1ilu n ASN 38 Ca 0.00 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.81 1ilu n ASN 38 Cb 0.00 0.70 -0.04 0.00 -1.54 0.00 0.00 39.78 38.90 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 -2.03 4.51 0.96 3.41 1.43 -1.26 -4.84 118.68 120.86 1ilu s LEU 39 Ca 0.00 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.04 1ilu s LEU 39 Cb 0.00 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1ilu s LEU 39 CO 0.00 -0.15 1.09 -2.16 0.23 0.00 0.00 176.35 175.35 1ilu s PRO 40 N -0.52 0.73 0.35 1.29 0.04 -1.26 -3.03 135.00 132.59 1ilu s PRO 40 Ca 0.48 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.41 1ilu s PRO 40 Cb -0.29 -1.75 0.68 0.00 0.04 0.00 0.00 34.50 33.19 1ilu s PRO 40 CO 0.35 -2.61 1.95 -0.22 0.04 0.00 0.00 177.00 176.51 1ilu h LYS 41 N -1.82 0.81 0.00 4.56 3.11 -1.85 0.17 116.57 121.54 1ilu h LYS 41 Ca -0.52 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 1ilu h LYS 41 Cb 1.30 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1ilu h LYS 41 CO 0.53 0.53 0.00 -2.95 -2.81 0.00 0.00 179.45 174.75 1ilu h ASN 42 N 0.83 0.00 0.00 4.20 -1.07 -1.93 -0.32 115.58 117.29 1ilu h ASN 42 Ca 0.32 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.63 1ilu h ASN 42 Cb 0.20 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.44 1ilu h ASN 42 CO -0.11 0.00 -1.29 1.33 0.07 0.00 0.00 177.43 177.43 1ilu n VAL 43 N -2.44 0.24 -2.76 6.14 0.24 -0.87 -4.80 118.33 114.08 1ilu n VAL 43 Ca 0.04 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.34 62.13 1ilu n VAL 43 Cb 0.36 -0.59 0.05 0.00 -1.47 0.00 0.00 33.84 32.18 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 1.81 -2.21 7.34 0.00 0.53 -5.03 117.12 117.50 1ilu n MET 44 Ca -0.06 -3.54 -0.41 0.00 0.00 0.00 0.00 57.70 53.70 1ilu n MET 44 Cb 0.53 -1.62 -0.03 0.00 0.00 0.00 0.00 33.22 32.10 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 -3.72 2.87 0.05 -5.12 0.00 -0.13 -4.75 107.32 96.51 1ilu s GLY 45 Ca 0.29 1.15 0.04 0.00 0.00 0.00 0.00 44.72 46.19 1ilu s GLY 45 CO -0.03 1.87 -0.12 0.30 0.00 0.00 0.00 173.10 175.13 1ilu s HIS 46 N -0.81 1.00 0.23 1.90 3.76 -0.83 -4.64 115.29 115.89 1ilu s HIS 46 Ca 0.50 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 54.93 1ilu s HIS 46 Cb -0.37 -0.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.71 1ilu s HIS 46 CO 0.47 0.00 0.32 0.54 -0.85 0.00 0.00 174.74 175.22 1ilu s ASN 47 N -1.36 0.05 -0.16 1.40 4.22 -1.26 -0.31 114.94 117.52 1ilu s ASN 47 Ca -0.03 -1.16 0.01 0.00 -2.14 0.00 0.00 52.86 49.54 1ilu s ASN 47 Cb -0.09 0.49 0.02 0.00 1.28 0.00 0.00 41.25 42.96 1ilu s ASN 47 CO 0.01 -1.01 -0.17 0.86 -2.04 0.00 0.00 177.10 174.76 1ilu s TRP 48 N -4.06 2.44 0.08 1.54 -0.00 -1.26 -4.11 118.94 113.57 1ilu s TRP 48 Ca 0.30 -1.39 0.08 0.00 -0.00 0.00 0.00 56.10 55.09 1ilu s TRP 48 Cb 0.03 -1.73 -0.03 0.00 -0.00 0.00 0.00 33.47 31.73 1ilu s TRP 48 CO 0.11 -0.72 -0.20 0.08 -0.00 0.00 0.00 176.95 176.22 1ilu s VAL 49 N 1.35 1.64 -0.02 5.86 1.01 0.36 -0.82 120.40 129.77 1ilu s VAL 49 Ca 0.04 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1ilu s VAL 49 Cb -0.13 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.79 1ilu s VAL 49 CO -0.11 0.02 -0.06 -0.22 0.00 0.00 0.00 175.10 174.73 1ilu s LEU 50 N -1.64 1.69 0.00 3.92 2.96 -0.84 -1.19 118.68 123.58 1ilu s LEU 50 Ca 0.06 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1ilu s LEU 50 Cb -0.10 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.22 1ilu s LEU 50 CO 0.03 0.02 0.38 -1.54 -1.32 0.00 0.00 176.35 173.92 1ilu n SER 51 N 3.44 -1.08 -4.84 3.68 3.41 -1.03 -1.69 113.62 115.50 1ilu n SER 51 Ca -0.19 -1.94 -0.30 0.00 -0.26 0.00 0.00 58.87 56.17 1ilu n SER 51 Cb 0.54 1.86 0.06 0.00 -0.26 0.00 0.00 64.21 66.41 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 -2.56 3.41 0.22 6.66 -4.23 -1.26 -1.50 115.64 116.38 1ilu s THR 52 Ca 0.11 0.46 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1ilu s THR 52 Cb -0.02 -3.32 0.16 0.00 1.34 0.00 0.00 72.50 70.67 1ilu s THR 52 CO 0.08 -0.60 1.77 0.00 -0.54 0.00 0.00 174.62 175.34 1ilu h ALA 53 N -0.84 0.92 -0.96 3.99 0.00 -1.38 -1.25 119.26 119.73 1ilu h ALA 53 Ca -0.46 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1ilu h ALA 53 Cb 1.25 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1ilu h ALA 53 CO 0.61 -0.09 0.63 0.00 0.00 0.00 0.00 179.25 180.40 1ilu h ALA 54 N 1.42 1.41 0.00 0.00 0.00 -1.93 -3.17 119.26 116.99 1ilu h ALA 54 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ilu h ALA 54 Cb 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ilu h ALA 54 CO -0.27 0.48 -0.60 -0.25 0.00 0.00 0.00 179.25 178.60 1ilu n ASP 55 N -4.46 0.57 -0.01 0.00 8.00 -0.56 -4.45 116.55 115.63 1ilu n ASP 55 Ca 0.14 -0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 1ilu n ASP 55 Cb 0.14 0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 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 -0.41 0.00 -1.24 4.05 -1.30 -1.16 114.93 114.87 1ilu h MET 56 Ca 0.00 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1ilu h MET 56 Cb 0.60 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1ilu h MET 56 CO 0.00 -0.27 0.00 0.94 0.23 0.00 0.00 176.91 177.81 1ilu n GLN 57 N -5.42 0.13 -0.07 0.39 -0.06 -1.26 -0.87 117.38 110.21 1ilu n GLN 57 Ca -0.03 0.40 -0.14 0.00 -2.00 0.00 0.00 57.00 55.22 1ilu n GLN 57 Cb 0.34 -1.77 -0.12 0.00 -4.06 0.00 0.00 30.24 24.63 1ilu n GLN 57 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1ilu h GLY 58 N 2.03 0.00 0.65 1.69 0.00 -1.54 -3.10 103.07 102.81 1ilu h GLY 58 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1ilu h GLY 58 CO 0.00 0.00 0.17 -2.08 0.00 0.00 0.00 176.54 174.63 1ilu h VAL 59 N -1.00 0.89 -0.03 4.60 2.07 -0.76 -1.40 116.25 120.61 1ilu h VAL 59 Ca -0.04 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1ilu h VAL 59 Cb 1.00 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1ilu h VAL 59 CO -0.03 0.06 -0.21 0.58 0.02 0.00 0.00 177.57 177.99 1ilu h VAL 60 N 0.34 0.49 -0.08 2.57 2.07 -1.15 0.15 116.25 120.64 1ilu h VAL 60 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 1ilu h VAL 60 Cb 0.17 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1ilu h VAL 60 CO -0.19 0.00 0.02 0.74 0.02 0.00 0.00 177.57 178.16 1ilu h THR 61 N -0.32 1.19 -0.50 2.57 2.02 -1.40 -1.66 112.91 114.80 1ilu h THR 61 Ca 0.07 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 1ilu h THR 61 Cb 0.42 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1ilu h THR 61 CO -0.22 0.16 0.04 0.44 0.37 0.00 0.00 175.52 176.31 1ilu h ASP 62 N -0.08 0.78 -0.16 4.18 3.32 -1.22 -2.32 116.42 120.92 1ilu h ASP 62 Ca 0.03 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1ilu h ASP 62 Cb 0.24 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1ilu h ASP 62 CO 0.00 0.82 -0.10 1.23 -1.72 0.00 0.00 179.24 179.47 1ilu h GLY 63 N 0.97 0.03 0.38 2.75 0.00 -0.54 -1.82 103.07 104.85 1ilu h GLY 63 Ca 0.16 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.63 1ilu h GLY 63 CO 0.01 -0.11 -0.33 1.98 0.00 0.00 0.00 176.54 178.09 1ilu h MET 64 N -0.10 -0.51 0.00 4.80 1.85 -1.07 -2.15 114.93 117.74 1ilu h MET 64 Ca 0.09 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1ilu h MET 64 Cb 0.23 0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.38 1ilu h MET 64 CO -0.22 -0.34 0.00 0.00 -0.40 0.00 0.00 176.91 175.95 1ilu n ALA 65 N -2.74 1.25 0.60 0.39 0.00 -0.89 -2.36 120.51 116.76 1ilu n ALA 65 Ca -0.06 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1ilu n ALA 65 Cb 0.33 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1ilu n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ilu n SER 66 N -1.44 0.62 -0.01 0.00 7.64 -0.71 -5.08 113.62 114.64 1ilu n SER 66 Ca 0.01 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1ilu n SER 66 Cb 0.04 0.77 -0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 1.38 -2.33 0.29 0.23 0.00 -0.99 -3.64 105.19 100.12 1ilu n GLY 67 Ca 0.02 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.01 0.50 -0.96 0.99 5.85 -1.92 -0.15 115.31 119.61 1ilu h LEU 68 Ca -0.00 0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.98 1ilu h LEU 68 Cb 0.01 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.93 1ilu h LEU 68 CO 0.00 0.25 0.55 -2.24 -0.34 0.00 0.00 178.44 176.66 1ilu h ASP 69 N 0.62 0.68 -0.81 1.25 3.04 -2.02 0.04 116.42 119.23 1ilu h ASP 69 Ca 0.40 0.10 -0.46 0.00 -3.24 0.00 0.00 57.03 53.84 1ilu h ASP 69 Cb 0.50 -0.01 -0.25 0.00 -1.04 0.00 0.00 39.33 38.53 1ilu h ASP 69 CO -0.31 0.23 0.58 0.29 -2.04 0.00 0.00 179.24 177.99 1ilu n LYS 70 N -4.82 2.11 -4.09 4.15 4.76 -0.12 -4.89 118.16 115.24 1ilu n LYS 70 Ca 0.22 -2.50 -0.34 0.00 -2.87 0.00 0.00 58.31 52.82 1ilu n LYS 70 Cb 0.56 -1.98 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 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 -0.74 -1.63 -3.91 4.39 9.92 0.00 -1.57 116.55 123.01 1ilu n ASP 71 Ca 0.49 -0.90 -0.31 0.00 -0.53 0.00 0.00 54.79 53.55 1ilu n ASP 71 Cb 1.23 -1.45 0.02 0.00 -0.64 0.00 0.00 41.12 40.28 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 -3.68 -2.20 -3.85 1.24 4.01 -0.85 -4.67 117.16 107.16 1ilu n TYR 72 Ca 0.09 0.86 -0.12 0.00 -0.16 0.00 0.00 57.90 58.58 1ilu n TYR 72 Cb 0.45 -3.78 -0.11 0.00 -0.31 0.00 0.00 39.34 35.59 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 -7.23 1.47 0.04 7.72 1.43 -0.61 -4.21 118.68 117.30 1ilu s LEU 73 Ca 0.66 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.45 1ilu s LEU 73 Cb -0.34 0.65 -0.05 0.00 0.03 0.00 0.00 46.19 46.49 1ilu s LEU 73 CO 0.81 -0.26 1.11 -0.75 0.23 0.00 0.00 176.35 177.49 1ilu s LYS 74 N -0.87 4.49 0.62 1.70 2.20 -1.26 -4.83 119.74 121.78 1ilu s LYS 74 Ca -0.10 1.63 -0.18 0.00 -0.36 0.00 0.00 55.97 56.96 1ilu s LYS 74 Cb -0.05 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1ilu s LYS 74 CO 0.01 -0.16 1.14 -2.30 -0.36 0.00 0.00 175.35 173.67 1ilu n PRO 75 N 3.87 1.05 -1.39 4.03 -0.02 -1.26 -3.11 135.00 138.17 1ilu n PRO 75 Ca 0.08 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1ilu n PRO 75 Cb 0.48 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.28 -5.64 -4.56 2.55 8.00 -1.26 -4.91 116.55 109.45 1ilu n ASP 76 Ca 0.14 0.33 -0.30 0.00 0.71 0.00 0.00 54.79 55.68 1ilu n ASP 76 Cb 0.47 -4.32 -0.04 0.00 -0.02 0.00 0.00 41.12 37.21 1ilu n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ilu s ASP 77 N -2.51 5.20 0.00 -2.24 2.15 -1.18 -4.81 116.67 113.29 1ilu s ASP 77 Ca 0.00 -0.43 0.06 0.00 0.43 0.00 0.00 52.55 52.60 1ilu s ASP 77 Cb 0.00 -2.55 0.30 0.00 -0.30 0.00 0.00 42.92 40.37 1ilu s ASP 77 CO 0.00 -2.63 0.95 -1.54 -0.17 0.00 0.00 175.17 171.78 1ilu n SER 78 N 13.56 0.00 0.15 -0.34 3.41 -1.26 -2.11 113.62 127.02 1ilu n SER 78 Ca 0.35 0.07 0.03 0.00 -0.26 0.00 0.00 58.87 59.06 1ilu n SER 78 Cb 0.48 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1ilu n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ilu h ARG 79 N 0.00 0.00 -5.93 4.33 3.08 -1.97 -3.44 114.38 110.45 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 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1ilu h ARG 79 CO 0.00 0.46 0.49 0.08 -1.07 0.00 0.00 179.97 179.93 1ilu s VAL 80 N -3.01 4.83 -0.10 2.04 1.01 -0.90 -4.48 120.40 119.80 1ilu s VAL 80 Ca 0.04 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.50 1ilu s VAL 80 Cb 0.08 -4.17 -0.18 0.00 0.00 0.00 0.00 36.38 32.11 1ilu s VAL 80 CO 0.74 -0.04 0.70 0.40 0.00 0.00 0.00 175.10 176.90 1ilu h ILE 81 N 5.31 1.15 -3.34 2.22 2.04 -1.63 -3.49 117.51 119.77 1ilu h ILE 81 Ca -0.26 -1.63 -0.07 0.00 1.00 0.00 0.00 64.86 63.91 1ilu h ILE 81 Cb 1.11 2.07 -0.15 0.00 -0.74 0.00 0.00 36.82 39.11 1ilu h ILE 81 CO 0.87 0.35 -0.15 0.00 0.00 0.00 0.00 178.15 179.22 1ilu s ALA 82 N -2.91 -0.81 -0.18 1.87 0.00 -1.25 -5.01 121.76 113.48 1ilu s ALA 82 Ca -0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 1ilu s ALA 82 Cb -0.01 0.51 0.06 0.00 0.00 0.00 0.00 23.12 23.68 1ilu s ALA 82 CO 0.50 -0.54 0.62 -3.38 0.00 0.00 0.00 175.76 172.96 1ilu s HIS 83 N -3.25 -0.65 0.59 0.00 -3.43 -1.26 -1.98 115.29 105.30 1ilu s HIS 83 Ca -0.00 1.47 -0.08 0.00 -0.80 0.00 0.00 55.06 55.64 1ilu s HIS 83 Cb 0.01 0.27 0.13 0.00 -1.43 0.00 0.00 32.58 31.56 1ilu s HIS 83 CO -0.08 -0.40 0.80 0.25 -2.00 0.00 0.00 174.74 173.31 1ilu n THR 84 N 2.23 0.00 -3.33 -5.38 -2.24 -0.00 -4.91 114.28 100.65 1ilu n THR 84 Ca -0.15 -0.72 -0.27 0.00 -2.27 0.00 0.00 64.05 60.64 1ilu n THR 84 Cb 0.56 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.22 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 -4.69 3.58 -0.03 -0.78 3.01 -1.26 -4.68 119.74 114.89 1ilu s LYS 85 Ca 0.47 -0.10 -0.30 0.00 -1.01 0.00 0.00 55.97 55.03 1ilu s LYS 85 Cb -0.02 -2.65 -0.05 0.00 -1.01 0.00 0.00 37.83 34.11 1ilu s LYS 85 CO 0.32 0.18 1.38 -1.17 0.51 0.00 0.00 175.35 176.57 1ilu s LEU 86 N -3.81 4.30 0.32 3.17 2.96 -1.26 -4.58 118.68 119.77 1ilu s LEU 86 Ca 0.43 2.03 0.09 0.00 -0.22 0.00 0.00 54.13 56.46 1ilu s LEU 86 Cb -0.10 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1ilu s LEU 86 CO 0.32 -0.72 0.02 0.27 -1.32 0.00 0.00 176.35 174.93 1ilu s ILE 87 N 2.63 2.90 0.43 6.68 -4.36 0.58 -4.89 121.20 125.15 1ilu s ILE 87 Ca 0.62 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 1ilu s ILE 87 Cb -0.29 -2.82 0.02 0.00 1.25 0.00 0.00 42.46 40.62 1ilu s ILE 87 CO 0.25 -0.25 0.19 0.61 0.24 0.00 0.00 174.94 175.98 1ilu n GLY 88 N -0.96 3.18 3.72 6.27 0.00 -1.26 -1.96 105.19 114.18 1ilu n GLY 88 Ca -0.04 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 1ilu n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ilu n SER 89 N -1.60 4.02 0.00 1.61 7.64 -1.17 -1.70 113.62 122.42 1ilu n SER 89 Ca -0.08 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1ilu n SER 89 Cb 0.51 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1ilu n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ilu n GLY 90 N 4.00 3.20 3.83 0.23 0.00 -0.20 -4.96 105.19 111.29 1ilu n GLY 90 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.46 3.91 0.02 1.61 2.02 -0.69 -4.85 118.70 120.26 1ilu s GLU 91 Ca 0.00 1.02 0.03 0.00 0.02 0.00 0.00 54.97 56.04 1ilu s GLU 91 Cb 0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 1ilu s GLU 91 CO 0.00 -0.31 -0.08 0.21 0.02 0.00 0.00 175.26 175.10 1ilu s LYS 92 N -3.92 0.60 -0.09 1.61 2.47 -1.26 -1.63 119.74 117.51 1ilu s LYS 92 Ca 0.60 -0.48 -0.28 0.00 -1.56 0.00 0.00 55.97 54.25 1ilu s LYS 92 Cb -0.11 -0.52 0.07 0.00 -1.46 0.00 0.00 37.83 35.81 1ilu s LYS 92 CO 0.29 0.13 0.65 0.34 0.16 0.00 0.00 175.35 176.92 1ilu s ASP 93 N -0.74 -0.63 0.24 1.43 2.15 -0.58 -5.02 116.67 113.52 1ilu s ASP 93 Ca -0.01 0.80 0.03 0.00 0.43 0.00 0.00 52.55 53.80 1ilu s ASP 93 Cb -0.06 0.69 -0.05 0.00 -0.30 0.00 0.00 42.92 43.21 1ilu s ASP 93 CO 0.00 -0.52 0.02 -0.44 -0.17 0.00 0.00 175.17 174.06 1ilu s SER 94 N -0.89 1.68 -0.18 -0.34 0.01 -1.26 -1.04 113.70 111.67 1ilu s SER 94 Ca -0.09 -1.26 -0.12 0.00 1.31 0.00 0.00 55.95 55.79 1ilu s SER 94 Cb -0.01 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.32 1ilu s SER 94 CO 0.08 -0.57 0.46 0.54 0.41 0.00 0.00 173.24 174.15 1ilu s VAL 95 N -3.50 -0.01 -0.09 3.43 0.11 -0.71 -4.93 120.40 114.70 1ilu s VAL 95 Ca 0.30 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1ilu s VAL 95 Cb 0.06 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1ilu s VAL 95 CO 0.10 0.02 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.91 1ilu s THR 96 N 1.07 3.52 0.08 5.04 2.01 -1.26 -1.41 115.64 124.70 1ilu s THR 96 Ca -0.07 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1ilu s THR 96 Cb -0.06 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1ilu s THR 96 CO -0.09 0.57 -0.06 0.72 -0.69 0.00 0.00 174.62 175.07 1ilu s PHE 97 N -0.47 0.78 -0.13 4.92 -0.71 -0.83 -4.97 117.98 116.58 1ilu s PHE 97 Ca 0.07 -0.84 -0.29 0.00 -1.04 0.00 0.00 56.93 54.82 1ilu s PHE 97 Cb -0.12 -0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 41.21 1ilu s PHE 97 CO 0.02 -0.17 1.12 -0.51 -1.34 0.00 0.00 175.22 174.35 1ilu s ASP 98 N -2.70 7.10 0.62 1.98 1.11 -1.26 -1.21 116.67 122.31 1ilu s ASP 98 Ca 0.06 1.62 0.38 0.00 0.18 0.00 0.00 52.55 54.79 1ilu s ASP 98 Cb 0.02 -2.55 2.07 0.00 1.07 0.00 0.00 42.92 43.53 1ilu s ASP 98 CO -0.04 -0.59 2.27 0.58 1.18 0.00 0.00 175.17 178.57 1ilu h VAL 99 N 5.22 0.20 -1.04 -1.27 2.07 -1.24 -1.88 116.25 118.30 1ilu h VAL 99 Ca -0.29 -0.12 0.28 0.00 0.82 0.00 0.00 66.70 67.39 1ilu h VAL 99 Cb 1.13 1.09 -0.12 0.00 -1.52 0.00 0.00 31.29 31.87 1ilu h VAL 99 CO 0.91 0.01 0.64 -1.28 0.02 0.00 0.00 177.57 177.87 1ilu h SER 100 N 0.00 0.54 0.10 0.57 0.87 -1.88 -1.34 113.55 112.41 1ilu h SER 100 Ca -0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1ilu h SER 100 Cb 0.09 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1ilu h SER 100 CO 0.00 0.04 0.00 0.29 -0.53 0.00 0.00 176.83 176.63 1ilu n LYS 101 N -4.81 0.34 -3.84 2.24 5.02 -0.71 -4.72 118.16 111.68 1ilu n LYS 101 Ca 0.28 0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 56.27 1ilu n LYS 101 Cb 0.88 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.26 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 -2.24 3.59 -0.28 -0.35 1.43 -0.51 -5.07 118.68 115.26 1ilu s LEU 102 Ca 0.18 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1ilu s LEU 102 Cb 0.09 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1ilu s LEU 102 CO 0.18 -0.17 1.50 -0.54 0.23 0.00 0.00 176.35 177.55 1ilu s LYS 103 N 1.42 3.77 -0.22 1.70 1.02 -1.26 -4.96 119.74 121.21 1ilu s LYS 103 Ca 0.01 1.41 -0.29 0.00 0.02 0.00 0.00 55.97 57.12 1ilu s LYS 103 Cb -0.17 -3.99 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 1ilu s LYS 103 CO -0.00 -1.31 1.52 -2.00 -0.92 0.00 0.00 175.35 172.63 1ilu s GLU 104 N 4.61 3.88 0.00 1.68 2.12 -1.26 -1.71 118.70 128.03 1ilu s GLU 104 Ca 0.66 1.60 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1ilu s GLU 104 Cb -0.20 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.21 1ilu s GLU 104 CO 0.28 -1.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1ilu n GLY 105 N 4.46 1.46 3.23 -1.50 0.00 -1.26 -5.12 105.19 106.47 1ilu n GLY 105 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.17 1.01 -0.30 1.61 2.12 -0.69 -5.13 118.70 117.14 1ilu s GLU 106 Ca 0.00 -1.40 -0.14 0.00 0.36 0.00 0.00 54.97 53.79 1ilu s GLU 106 Cb 0.00 -0.57 -0.03 0.00 0.26 0.00 0.00 34.13 33.79 1ilu s GLU 106 CO 0.00 0.07 0.32 1.14 -0.54 0.00 0.00 175.26 176.24 1ilu s GLN 107 N -3.62 3.85 -0.09 4.30 -2.07 -1.26 -4.93 119.66 115.84 1ilu s GLN 107 Ca 0.15 -0.21 0.04 0.00 -1.82 0.00 0.00 55.36 53.52 1ilu s GLN 107 Cb 0.02 -3.70 -0.01 0.00 -1.09 0.00 0.00 33.01 28.23 1ilu s GLN 107 CO -0.00 -0.33 -0.22 0.71 -1.32 0.00 0.00 175.29 174.13 1ilu s TYR 108 N 1.96 2.57 -0.03 9.60 2.02 -1.26 -0.99 117.35 131.22 1ilu s TYR 108 Ca 0.12 -0.80 0.03 0.00 -0.37 0.00 0.00 57.07 56.05 1ilu s TYR 108 Cb -0.16 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1ilu s TYR 108 CO 0.11 -0.27 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.09 1ilu s MET 109 N 0.08 2.56 -0.05 -0.62 -1.94 -0.56 -1.63 119.30 117.13 1ilu s MET 109 Ca -0.10 -0.69 0.05 0.00 -1.71 0.00 0.00 55.69 53.25 1ilu s MET 109 Cb -0.16 -2.47 -0.02 0.00 2.01 0.00 0.00 34.83 34.19 1ilu s MET 109 CO 0.06 0.62 -0.21 0.45 -0.01 0.00 0.00 175.02 175.93 1ilu s SER 110 N -1.08 3.47 0.11 3.03 0.15 -0.54 -2.47 113.70 116.37 1ilu s SER 110 Ca 0.14 -0.37 -0.26 0.00 0.70 0.00 0.00 55.95 56.16 1ilu s SER 110 Cb -0.11 -0.72 0.08 0.00 -1.71 0.00 0.00 66.02 63.56 1ilu s SER 110 CO 0.04 0.30 1.08 0.72 1.20 0.00 0.00 173.24 176.58 1ilu s PHE 111 N -0.49 -0.07 -0.09 3.44 -0.71 -0.33 -0.71 117.98 119.03 1ilu s PHE 111 Ca 0.06 -0.19 -0.03 0.00 -1.04 0.00 0.00 56.93 55.73 1ilu s PHE 111 Cb -0.11 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 1ilu s PHE 111 CO 0.01 -0.67 0.06 0.00 -1.34 0.00 0.00 175.22 173.28 1ilu n THR 113 N 1.95 0.87 -2.12 0.00 -2.24 -1.26 -3.60 114.28 107.88 1ilu n THR 113 Ca -0.18 -0.93 -0.41 0.00 -2.27 0.00 0.00 64.05 60.25 1ilu n THR 113 Cb 0.54 0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.05 3.15 0.26 4.78 2.19 -1.26 -4.25 117.98 121.80 1ilu s PHE 114 Ca 0.31 1.08 -0.31 0.00 0.33 0.00 0.00 56.93 58.35 1ilu s PHE 114 Cb 0.17 -3.71 -0.13 0.00 -1.31 0.00 0.00 43.02 38.03 1ilu s PHE 114 CO 0.22 -2.32 1.35 -2.30 1.83 0.00 0.00 175.22 173.99 1ilu n PRO 115 N 2.73 1.95 0.00 10.12 -0.02 -1.26 -2.56 135.00 145.95 1ilu n PRO 115 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1ilu n PRO 115 Cb 0.41 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.84 2.46 0.34 -1.23 0.00 -1.26 -4.85 105.19 102.49 1ilu n GLY 116 Ca 0.10 -0.60 0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 0.93 -0.84 1.61 3.86 -1.84 -3.22 115.15 115.65 1ilu h HIS 117 Ca 0.00 0.04 0.18 0.00 -1.16 0.00 0.00 60.37 59.43 1ilu h HIS 117 Cb 0.00 -0.25 -0.06 0.00 1.06 0.00 0.00 27.41 28.16 1ilu h HIS 117 CO 0.00 -0.14 0.56 0.77 0.86 0.00 0.00 177.93 179.98 1ilu h SER 118 N 0.35 0.38 0.61 2.45 0.02 -1.68 0.16 113.55 115.84 1ilu h SER 118 Ca 0.72 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.60 1ilu h SER 118 Cb 1.64 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 1ilu h SER 118 CO -0.58 0.17 -0.52 0.00 -1.14 0.00 0.00 176.83 174.76 1ilu h ALA 119 N 1.62 1.06 0.00 3.77 0.00 -1.90 -3.30 119.26 120.51 1ilu h ALA 119 Ca 0.43 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1ilu h ALA 119 Cb 1.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1ilu h ALA 119 CO -0.15 0.65 -1.24 -0.07 0.00 0.00 0.00 179.25 178.45 1ilu h LEU 120 N 0.00 0.00 -7.90 0.00 -0.00 -1.59 -3.43 115.31 102.39 1ilu h LEU 120 Ca -0.01 -0.50 -0.71 0.00 -0.00 0.00 0.00 57.88 56.67 1ilu h LEU 120 Cb 0.97 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 41.44 1ilu h LEU 120 CO 0.07 1.47 0.92 -0.04 -0.00 0.00 0.00 178.44 180.87 1ilu s MET 121 N -2.36 3.73 0.21 1.13 -1.94 0.48 -4.75 119.30 115.79 1ilu s MET 121 Ca -0.29 -2.03 -0.16 0.00 -1.71 0.00 0.00 55.69 51.51 1ilu s MET 121 Cb 0.06 -4.93 0.02 0.00 2.01 0.00 0.00 34.83 31.99 1ilu s MET 121 CO 0.58 -1.74 0.51 -1.59 -0.01 0.00 0.00 175.02 172.77 1ilu s LYS 122 N 2.22 1.41 0.02 2.03 0.00 -1.25 -2.29 119.74 121.88 1ilu s LYS 122 Ca 0.34 -0.97 -0.08 0.00 0.00 0.00 0.00 55.97 55.27 1ilu s LYS 122 Cb -0.05 0.50 0.03 0.00 0.00 0.00 0.00 37.83 38.32 1ilu s LYS 122 CO -0.07 -0.60 0.39 0.41 0.00 0.00 0.00 175.35 175.48 1ilu n GLY 123 N -0.34 0.76 3.68 0.59 0.00 0.11 -4.77 105.19 105.22 1ilu n GLY 123 Ca -0.08 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 1ilu n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ilu s THR 124 N -2.24 3.80 -0.24 2.61 -4.23 -1.17 -1.46 115.64 112.70 1ilu s THR 124 Ca 0.09 -1.42 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 1ilu s THR 124 Cb -0.01 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.98 1ilu s THR 124 CO 0.01 -0.14 0.05 -0.22 -0.54 0.00 0.00 174.62 173.78 1ilu s LEU 125 N -3.04 1.67 0.24 4.79 0.20 -0.65 -0.55 118.68 121.36 1ilu s LEU 125 Ca 0.28 -1.15 -0.04 0.00 0.69 0.00 0.00 54.13 53.92 1ilu s LEU 125 Cb -0.09 -0.75 -0.05 0.00 -0.43 0.00 0.00 46.19 44.87 1ilu s LEU 125 CO 0.19 -0.34 0.48 -0.89 -0.29 0.00 0.00 176.35 175.51 1ilu s THR 126 N 1.73 5.10 -0.03 3.68 2.01 0.11 -4.03 115.64 124.21 1ilu s THR 126 Ca 0.02 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.00 1ilu s THR 126 Cb -0.17 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1ilu s THR 126 CO -0.14 -0.23 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.60 1ilu s LEU 127 N -3.37 2.44 0.00 4.42 1.43 -1.26 -0.47 118.68 121.87 1ilu s LEU 127 Ca 0.42 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1ilu s LEU 127 Cb -0.11 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1ilu s LEU 127 CO 0.29 0.33 0.00 2.29 0.23 0.00 0.00 176.35 179.48