#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieb s LYS 2 N 0.00 0.43 -0.52 6.28 2.20 -1.26 -5.12 119.74 121.75 1ieb s LYS 2 Ca 0.00 0.90 -0.17 0.00 -0.36 0.00 0.00 55.97 56.35 1ieb s LYS 2 Cb 0.00 0.07 0.09 0.00 -1.51 0.00 0.00 37.83 36.49 1ieb s LYS 2 CO 0.00 -0.17 0.51 -1.21 -0.36 0.00 0.00 175.35 174.11 1ieb s GLU 3 N 1.65 3.01 -0.26 4.03 0.41 -1.26 -5.04 118.70 121.24 1ieb s GLU 3 Ca -0.08 -1.41 -0.11 0.00 -0.41 0.00 0.00 54.97 52.95 1ieb s GLU 3 Cb -0.09 -4.21 -0.05 0.00 -1.78 0.00 0.00 34.13 28.01 1ieb s GLU 3 CO -0.14 -1.23 0.21 -2.00 -0.49 0.00 0.00 175.26 171.61 1ieb s GLU 4 N 1.91 4.00 0.16 1.61 2.12 -1.26 -5.06 118.70 122.18 1ieb s GLU 4 Ca 0.06 -0.24 -0.10 0.00 0.36 0.00 0.00 54.97 55.05 1ieb s GLU 4 Cb -0.26 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.51 1ieb s GLU 4 CO 0.06 -0.11 0.30 -1.01 -0.54 0.00 0.00 175.26 173.96 1ieb s HIS 5 N 1.56 0.35 -0.15 5.30 3.76 -1.26 -5.07 115.29 119.78 1ieb s HIS 5 Ca 0.08 -0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 54.24 1ieb s HIS 5 Cb -0.15 -0.03 0.07 0.00 1.11 0.00 0.00 32.58 33.59 1ieb s HIS 5 CO 0.09 -0.73 0.23 0.99 -0.85 0.00 0.00 174.74 174.47 1ieb s THR 6 N -3.96 -0.35 -0.13 1.30 2.01 -1.26 -5.03 115.64 108.21 1ieb s THR 6 Ca 0.16 0.14 -0.06 0.00 0.31 0.00 0.00 61.69 62.24 1ieb s THR 6 Cb 0.03 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1ieb s THR 6 CO -0.01 -0.00 0.09 -0.63 -0.69 0.00 0.00 174.62 173.38 1ieb s ILE 7 N 2.36 5.04 -0.06 1.82 1.01 -1.26 -1.81 121.20 128.31 1ieb s ILE 7 Ca 0.04 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.75 1ieb s ILE 7 Cb -0.13 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.14 1ieb s ILE 7 CO -0.09 0.56 -0.12 -0.63 0.00 0.00 0.00 174.94 174.65 1ieb s ILE 8 N -0.52 1.12 -0.23 2.92 1.01 -0.37 -4.94 121.20 120.18 1ieb s ILE 8 Ca 0.11 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1ieb s ILE 8 Cb -0.12 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 1ieb s ILE 8 CO 0.02 0.35 0.34 -1.58 0.00 0.00 0.00 174.94 174.07 1ieb s GLN 9 N 0.52 4.10 -0.09 2.79 0.74 -1.26 -0.03 119.66 126.43 1ieb s GLN 9 Ca -0.12 0.05 0.04 0.00 0.05 0.00 0.00 55.36 55.39 1ieb s GLN 9 Cb -0.14 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 1ieb s GLN 9 CO 0.03 -0.09 -0.22 0.00 -0.55 0.00 0.00 175.29 174.46 1ieb s ALA 10 N 1.48 2.25 -0.07 1.58 0.00 0.40 -4.98 121.76 122.42 1ieb s ALA 10 Ca 0.15 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1ieb s ALA 10 Cb -0.15 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1ieb s ALA 10 CO 0.08 0.32 0.38 -1.83 0.00 0.00 0.00 175.76 174.70 1ieb s GLU 11 N 0.20 0.62 0.35 0.00 -1.05 -1.26 -0.10 118.70 117.46 1ieb s GLU 11 Ca -0.14 0.15 -0.08 0.00 -0.15 0.00 0.00 54.97 54.75 1ieb s GLU 11 Cb -0.17 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 33.83 1ieb s GLU 11 CO 0.07 -0.14 0.58 -0.59 0.95 0.00 0.00 175.26 176.13 1ieb s PHE 12 N -0.70 0.67 -0.25 4.83 -0.12 0.21 -4.96 117.98 117.66 1ieb s PHE 12 Ca -0.08 -1.06 -0.02 0.00 -0.05 0.00 0.00 56.93 55.72 1ieb s PHE 12 Cb -0.04 0.25 0.14 0.00 -0.63 0.00 0.00 43.02 42.75 1ieb s PHE 12 CO 0.03 -1.26 0.40 -0.47 -0.05 0.00 0.00 175.22 173.86 1ieb s TYR 13 N -2.92 -0.90 0.06 3.49 5.04 -1.26 -1.81 117.35 119.05 1ieb s TYR 13 Ca 0.25 0.85 -0.09 0.00 -2.44 0.00 0.00 57.07 55.63 1ieb s TYR 13 Cb -0.02 0.04 -0.06 0.00 0.35 0.00 0.00 41.96 42.28 1ieb s TYR 13 CO 0.16 -0.76 0.37 -1.17 -1.34 0.00 0.00 175.55 172.81 1ieb s LEU 14 N 2.57 4.35 0.08 6.97 2.96 -0.60 -4.93 118.68 130.08 1ieb s LEU 14 Ca 0.13 0.73 0.05 0.00 -0.22 0.00 0.00 54.13 54.82 1ieb s LEU 14 Cb -0.15 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1ieb s LEU 14 CO -0.18 0.19 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.15 1ieb s LEU 15 N -1.89 2.31 0.56 -0.68 1.43 -1.26 -0.62 118.68 118.52 1ieb s LEU 15 Ca 0.32 -0.66 0.34 0.00 -1.03 0.00 0.00 54.13 53.10 1ieb s LEU 15 Cb -0.14 -0.45 1.46 0.00 0.03 0.00 0.00 46.19 47.10 1ieb s LEU 15 CO 0.18 -0.13 2.02 1.55 0.23 0.00 0.00 176.35 180.20 1ieb h PRO 16 N 4.11 0.00 -0.05 1.29 0.13 -2.02 -3.46 132.00 132.00 1ieb h PRO 16 Ca -0.40 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1ieb h PRO 16 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ieb h PRO 16 CO 0.43 0.02 0.73 -0.44 -0.23 0.00 0.00 178.00 178.52 1ieb h ASP 17 N 0.00 0.00 -6.60 1.44 5.19 -2.01 -3.44 116.42 111.00 1ieb h ASP 17 Ca -0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1ieb h ASP 17 Cb 0.47 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.87 1ieb h ASP 17 CO 0.00 0.00 -0.87 0.29 -3.12 0.00 0.00 179.24 175.54 1ieb n LYS 18 N -2.71 -3.21 -3.97 3.56 5.02 0.21 -4.97 118.16 112.10 1ieb n LYS 18 Ca 0.00 0.38 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 1ieb n LYS 18 Cb 0.77 -4.68 -0.17 0.00 -0.02 0.00 0.00 35.03 30.93 1ieb n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1ieb s ARG 19 N -6.71 1.94 0.40 1.97 1.70 -0.89 -4.95 118.95 112.40 1ieb s ARG 19 Ca 0.24 -0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 55.06 1ieb s ARG 19 Cb -0.13 -1.89 0.08 0.00 -0.57 0.00 0.00 34.95 32.44 1ieb s ARG 19 CO 0.90 -0.26 0.55 0.41 -1.08 0.00 0.00 175.30 175.82 1ieb n GLY 20 N 4.85 0.55 3.64 3.88 0.00 -1.26 -1.56 105.19 115.28 1ieb n GLY 20 Ca -0.15 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 1ieb n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ieb s GLU 21 N -3.89 0.58 -0.03 1.61 2.12 -0.75 -4.90 118.70 113.43 1ieb s GLU 21 Ca 0.36 0.74 -0.02 0.00 0.36 0.00 0.00 54.97 56.41 1ieb s GLU 21 Cb -0.02 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.64 1ieb s GLU 21 CO 0.24 -0.08 0.07 0.12 -0.54 0.00 0.00 175.26 175.07 1ieb s PHE 22 N 0.49 -0.07 0.07 5.30 2.19 -1.26 -0.62 117.98 124.08 1ieb s PHE 22 Ca 0.00 0.21 -0.27 0.00 0.33 0.00 0.00 56.93 57.20 1ieb s PHE 22 Cb -0.05 -0.03 0.08 0.00 -1.31 0.00 0.00 43.02 41.72 1ieb s PHE 22 CO -0.07 -0.06 0.96 0.00 1.83 0.00 0.00 175.22 177.88 1ieb s MET 23 N 0.36 0.98 -0.03 10.12 0.23 0.86 -2.28 119.30 129.53 1ieb s MET 23 Ca -0.03 -0.48 0.05 0.00 -1.03 0.00 0.00 55.69 54.20 1ieb s MET 23 Cb -0.04 0.37 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1ieb s MET 23 CO -0.01 -0.44 -0.17 -0.06 -2.03 0.00 0.00 175.02 172.31 1ieb s PHE 24 N -3.14 1.62 0.12 3.16 0.40 -0.74 -0.45 117.98 118.95 1ieb s PHE 24 Ca 0.09 -0.40 0.08 0.00 -0.60 0.00 0.00 56.93 56.10 1ieb s PHE 24 Cb -0.01 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 1ieb s PHE 24 CO -0.03 -0.11 -0.12 0.34 0.70 0.00 0.00 175.22 176.01 1ieb s ASP 25 N -0.14 4.24 -0.13 1.36 -1.08 0.95 -0.70 116.67 121.17 1ieb s ASP 25 Ca 0.01 -0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 51.55 1ieb s ASP 25 Cb -0.09 -0.74 0.04 0.00 -1.46 0.00 0.00 42.92 40.67 1ieb s ASP 25 CO 0.01 0.16 0.00 0.12 0.52 0.00 0.00 175.17 175.99 1ieb s PHE 26 N -1.28 0.95 -0.67 -5.34 5.36 0.19 -1.23 117.98 115.96 1ieb s PHE 26 Ca 0.21 -0.54 -0.05 0.00 -0.96 0.00 0.00 56.93 55.60 1ieb s PHE 26 Cb -0.11 -0.96 0.04 0.00 -0.34 0.00 0.00 43.02 41.66 1ieb s PHE 26 CO 0.13 -0.47 0.16 -0.25 -1.46 0.00 0.00 175.22 173.33 1ieb n ASP 27 N 5.07 -2.10 0.00 6.13 9.92 -0.75 -0.53 116.55 134.29 1ieb n ASP 27 Ca -0.09 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1ieb n ASP 27 Cb 0.49 -1.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.11 1ieb n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ieb n GLY 28 N -0.74 0.38 3.34 0.44 0.00 -1.26 -5.06 105.19 102.28 1ieb n GLY 28 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1ieb n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ieb s ASP 29 N -2.10 3.27 0.11 1.61 1.01 0.31 -5.06 116.67 115.82 1ieb s ASP 29 Ca 0.00 -0.42 -0.31 0.00 0.71 0.00 0.00 52.55 52.53 1ieb s ASP 29 Cb 0.00 -0.57 -0.09 0.00 1.01 0.00 0.00 42.92 43.27 1ieb s ASP 29 CO 0.00 0.31 1.64 -0.70 0.21 0.00 0.00 175.17 176.63 1ieb s GLU 30 N -0.52 4.20 -0.14 8.23 2.12 -1.26 -0.63 118.70 130.68 1ieb s GLU 30 Ca 0.07 2.37 -0.22 0.00 0.36 0.00 0.00 54.97 57.55 1ieb s GLU 30 Cb -0.11 -3.44 -0.19 0.00 0.26 0.00 0.00 34.13 30.65 1ieb s GLU 30 CO 0.00 -0.70 0.51 0.82 -0.54 0.00 0.00 175.26 175.35 1ieb h ILE 31 N 4.51 1.27 -2.40 -3.70 2.04 -1.24 -3.40 117.51 114.59 1ieb h ILE 31 Ca -0.43 -2.03 0.06 0.00 1.00 0.00 0.00 64.86 63.46 1ieb h ILE 31 Cb 1.20 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1ieb h ILE 31 CO 0.93 0.43 0.32 2.22 0.00 0.00 0.00 178.15 182.05 1ieb n PHE 32 N -4.61 -1.42 -3.49 1.37 1.16 -1.20 -0.45 117.46 108.82 1ieb n PHE 32 Ca -0.12 -1.01 -0.13 0.00 -1.87 0.00 0.00 57.45 54.33 1ieb n PHE 32 Cb 0.42 0.50 -0.04 0.00 -1.61 0.00 0.00 39.48 38.75 1ieb n PHE 32 CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 1ieb s HIS 33 N -3.76 -0.51 -0.07 2.97 -3.43 -1.12 -1.78 115.29 107.60 1ieb s HIS 33 Ca 0.14 0.59 -0.04 0.00 -0.80 0.00 0.00 55.06 54.94 1ieb s HIS 33 Cb -0.02 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 1ieb s HIS 33 CO 0.05 -0.63 0.11 0.08 -2.00 0.00 0.00 174.74 172.35 1ieb s VAL 34 N -2.45 5.12 -0.55 -5.38 1.01 -0.97 -0.92 120.40 116.27 1ieb s VAL 34 Ca -0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.61 1ieb s VAL 34 Cb -0.01 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1ieb s VAL 34 CO -0.03 0.50 1.11 -0.62 0.00 0.00 0.00 175.10 176.06 1ieb s ASP 35 N -1.34 6.46 0.34 3.32 -1.08 0.69 -4.50 116.67 120.56 1ieb s ASP 35 Ca 0.19 0.08 0.04 0.00 -0.52 0.00 0.00 52.55 52.34 1ieb s ASP 35 Cb -0.12 -2.52 0.67 0.00 -1.46 0.00 0.00 42.92 39.49 1ieb s ASP 35 CO 0.09 -1.35 1.95 0.40 0.52 0.00 0.00 175.17 176.78 1ieb h ILE 36 N 6.14 1.04 0.12 4.11 1.08 -1.92 0.20 117.51 128.28 1ieb h ILE 36 Ca -0.25 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1ieb h ILE 36 Cb 1.06 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1ieb h ILE 36 CO 1.14 0.15 -0.06 -0.08 -0.69 0.00 0.00 178.15 178.62 1ieb h GLU 37 N 0.84 -0.16 0.00 2.37 4.81 -1.97 -3.27 114.58 117.20 1ieb h GLU 37 Ca 0.33 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1ieb h GLU 37 Cb 0.22 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1ieb h GLU 37 CO -0.11 -0.10 0.00 1.63 -0.73 0.00 0.00 179.01 179.69 1ieb n LYS 38 N -3.81 0.20 -3.58 1.92 4.01 -1.25 -4.89 118.16 110.77 1ieb n LYS 38 Ca -0.02 0.15 -0.24 0.00 -0.51 0.00 0.00 58.31 57.69 1ieb n LYS 38 Cb 0.06 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.11 1ieb n LYS 38 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ieb n SER 39 N -1.28 -5.74 -3.73 4.39 2.88 0.65 -5.00 113.62 105.79 1ieb n SER 39 Ca 0.07 -0.82 -0.13 0.00 -1.33 0.00 0.00 58.87 56.66 1ieb n SER 39 Cb 0.11 -3.42 -0.10 0.00 -0.75 0.00 0.00 64.21 60.05 1ieb n SER 39 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1ieb s GLU 40 N -5.18 0.46 0.17 -1.46 -1.05 -0.87 -4.84 118.70 105.92 1ieb s GLU 40 Ca 0.29 0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 55.40 1ieb s GLU 40 Cb -0.10 0.19 -0.08 0.00 -0.44 0.00 0.00 34.13 33.70 1ieb s GLU 40 CO 0.85 -0.07 1.29 0.99 0.95 0.00 0.00 175.26 179.27 1ieb s THR 41 N 0.39 3.38 -0.30 1.83 2.01 -1.26 -0.22 115.64 121.47 1ieb s THR 41 Ca -0.01 1.10 0.01 0.00 0.31 0.00 0.00 61.69 63.10 1ieb s THR 41 Cb -0.04 -3.70 0.09 0.00 0.01 0.00 0.00 72.50 68.86 1ieb s THR 41 CO -0.01 0.14 0.03 -0.63 -0.69 0.00 0.00 174.62 173.46 1ieb s ILE 42 N 0.37 1.59 0.32 1.82 -1.09 -0.09 -4.93 121.20 119.19 1ieb s ILE 42 Ca 0.58 -1.67 -0.28 0.00 -2.23 0.00 0.00 60.65 57.04 1ieb s ILE 42 Cb -0.35 -2.07 -0.10 0.00 -1.58 0.00 0.00 42.46 38.37 1ieb s ILE 42 CO 0.35 -0.46 1.18 0.26 -1.23 0.00 0.00 174.94 175.04 1ieb s TRP 43 N 1.29 3.32 0.24 3.97 0.52 -1.26 -2.77 118.94 124.24 1ieb s TRP 43 Ca 0.05 1.58 -0.06 0.00 0.02 0.00 0.00 56.10 57.70 1ieb s TRP 43 Cb -0.18 -3.43 0.33 0.00 -1.15 0.00 0.00 33.47 29.05 1ieb s TRP 43 CO -0.13 -1.10 1.84 -0.09 0.02 0.00 0.00 176.95 177.49 1ieb h ARG 44 N 3.45 0.87 -4.43 4.98 9.65 -0.97 -3.37 114.38 124.56 1ieb h ARG 44 Ca -0.48 -0.05 -0.52 0.00 -1.10 0.00 0.00 59.98 57.83 1ieb h ARG 44 Cb 1.22 -0.20 -0.35 0.00 -1.39 0.00 0.00 29.97 29.26 1ieb h ARG 44 CO 0.66 0.57 -0.81 -0.51 2.80 0.00 0.00 179.97 182.68 1ieb s LEU 45 N -10.23 1.49 0.55 3.80 1.43 -1.26 -5.03 118.68 109.43 1ieb s LEU 45 Ca -0.13 -0.30 0.26 0.00 -1.03 0.00 0.00 54.13 52.94 1ieb s LEU 45 Cb 0.18 -0.83 1.44 0.00 0.03 0.00 0.00 46.19 47.02 1ieb s LEU 45 CO 0.78 -0.02 1.99 -0.08 0.23 0.00 0.00 176.35 179.26 1ieb h GLU 46 N 7.38 0.00 -0.01 1.70 4.57 -1.99 -1.52 114.58 124.72 1ieb h GLU 46 Ca -0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1ieb h GLU 46 Cb 1.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1ieb h GLU 46 CO 0.46 0.00 0.12 1.05 -1.18 0.00 0.00 179.01 179.46 1ieb h GLU 47 N 0.00 0.00 -0.12 1.92 4.11 -1.96 0.29 114.58 118.82 1ieb h GLU 47 Ca 0.23 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.57 1ieb h GLU 47 Cb 0.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1ieb h GLU 47 CO -0.00 0.00 -0.34 0.74 0.07 0.00 0.00 179.01 179.48 1ieb h PHE 48 N 0.00 0.27 -1.06 2.06 0.04 -1.68 -3.02 116.94 113.55 1ieb h PHE 48 Ca 0.00 -0.06 0.34 0.00 2.80 0.00 0.00 57.97 61.05 1ieb h PHE 48 Cb 0.25 -0.06 -0.14 0.00 2.20 0.00 0.00 35.95 38.20 1ieb h PHE 48 CO 0.00 0.55 0.63 0.00 -0.60 0.00 0.00 178.31 178.89 1ieb h ALA 49 N 1.45 2.13 -0.02 2.45 0.00 -0.61 0.48 119.26 125.14 1ieb h ALA 49 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ieb h ALA 49 Cb 0.70 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ieb h ALA 49 CO 0.05 -0.72 0.00 0.36 0.00 0.00 0.00 179.25 178.94 1ieb n LYS 50 N -4.94 1.06 0.00 0.00 2.85 -1.14 -3.73 118.16 112.25 1ieb n LYS 50 Ca 0.32 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1ieb n LYS 50 Cb 1.05 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 1ieb n LYS 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ieb n PHE 51 N -0.67 0.00 -3.86 5.58 3.72 0.17 -5.11 117.46 117.29 1ieb n PHE 51 Ca 0.13 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.46 1ieb n PHE 51 Cb 0.08 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 1ieb n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ieb s ALA 52 N -1.33 -1.09 -0.12 4.37 0.00 -1.12 -5.15 121.76 117.32 1ieb s ALA 52 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1ieb s ALA 52 Cb 0.00 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.98 1ieb s ALA 52 CO 0.00 -1.02 0.35 -1.54 0.00 0.00 0.00 175.76 173.55 1ieb s SER 53 N -2.95 -0.35 -0.11 0.00 1.04 -1.26 -4.69 113.70 105.37 1ieb s SER 53 Ca 0.12 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1ieb s SER 53 Cb -0.06 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1ieb s SER 53 CO 0.08 -0.15 -0.17 0.12 0.98 0.00 0.00 173.24 174.10 1ieb s PHE 54 N 0.06 2.13 -0.62 5.02 5.36 -1.26 -5.09 117.98 123.58 1ieb s PHE 54 Ca -0.01 -0.99 -0.27 0.00 -0.96 0.00 0.00 56.93 54.70 1ieb s PHE 54 Cb -0.03 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 41.19 1ieb s PHE 54 CO 0.01 -0.48 1.18 -2.00 -1.46 0.00 0.00 175.22 172.46 1ieb s GLU 55 N 0.85 3.39 0.58 10.12 2.56 -1.26 -4.73 118.70 130.21 1ieb s GLU 55 Ca -0.09 0.02 0.35 0.00 0.00 0.00 0.00 54.97 55.25 1ieb s GLU 55 Cb -0.15 -4.07 1.35 0.00 2.00 0.00 0.00 34.13 33.26 1ieb s GLU 55 CO 0.00 -1.78 1.57 0.00 -0.56 0.00 0.00 175.26 174.49 1ieb h ALA 56 N 9.64 3.11 -0.87 6.30 0.00 -1.95 -1.08 119.26 134.40 1ieb h ALA 56 Ca -0.26 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ieb h ALA 56 Cb 1.06 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1ieb h ALA 56 CO 1.20 -1.71 0.58 1.96 0.00 0.00 0.00 179.25 181.27 1ieb h GLN 57 N 0.00 1.08 -0.68 0.00 1.08 -1.91 -2.37 115.11 112.31 1ieb h GLN 57 Ca 0.58 -0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.83 1ieb h GLN 57 Cb 2.74 -0.24 -0.08 0.00 -0.05 0.00 0.00 27.48 29.85 1ieb h GLN 57 CO -0.01 0.71 0.27 0.78 -0.95 0.00 0.00 178.83 179.64 1ieb h GLY 58 N 1.11 0.99 0.80 3.46 0.00 -1.61 0.14 103.07 107.96 1ieb h GLY 58 Ca 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1ieb h GLY 58 CO -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 176.54 176.41 1ieb h ALA 59 N 1.48 0.07 -0.98 3.60 0.00 -1.62 -1.73 119.26 120.07 1ieb h ALA 59 Ca 0.36 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.38 1ieb h ALA 59 Cb 0.48 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1ieb h ALA 59 CO -0.35 -0.32 0.64 -0.07 0.00 0.00 0.00 179.25 179.16 1ieb h LEU 60 N -0.13 0.39 0.21 0.00 3.38 -0.78 -1.01 115.31 117.37 1ieb h LEU 60 Ca 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ieb h LEU 60 Cb 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ieb h LEU 60 CO 0.00 0.12 -0.10 0.00 0.09 0.00 0.00 178.44 178.55 1ieb h ALA 61 N 1.60 -0.28 -0.73 1.53 0.00 -0.52 -2.63 119.26 118.23 1ieb h ALA 61 Ca 0.52 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.40 1ieb h ALA 61 Cb 1.38 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.17 1ieb h ALA 61 CO -0.21 -0.34 0.11 -0.91 0.00 0.00 0.00 179.25 177.91 1ieb h ASN 62 N -0.92 -0.12 -0.88 0.00 4.21 -0.55 0.25 115.58 117.57 1ieb h ASN 62 Ca -0.03 0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.67 1ieb h ASN 62 Cb 0.49 0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 37.89 1ieb h ASN 62 CO 0.05 -0.09 0.57 0.40 -1.29 0.00 0.00 177.43 177.07 1ieb h ILE 63 N 0.20 1.18 -0.89 2.81 1.08 -1.29 0.41 117.51 121.02 1ieb h ILE 63 Ca 0.41 -0.39 0.13 0.00 -0.39 0.00 0.00 64.86 64.61 1ieb h ILE 63 Cb 0.71 -0.06 -0.09 0.00 -3.07 0.00 0.00 36.82 34.31 1ieb h ILE 63 CO -0.56 0.21 0.50 0.00 -0.69 0.00 0.00 178.15 177.62 1ieb h ALA 64 N 1.34 1.32 0.12 1.87 0.00 -0.12 0.34 119.26 124.13 1ieb h ALA 64 Ca 0.34 0.05 -0.28 0.00 0.00 0.00 0.00 54.91 55.02 1ieb h ALA 64 Cb -0.06 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.65 1ieb h ALA 64 CO -0.10 0.05 -1.16 0.28 0.00 0.00 0.00 179.25 178.32 1ieb h VAL 65 N 0.77 1.31 -0.70 0.00 2.07 -0.76 -2.96 116.25 115.98 1ieb h VAL 65 Ca 0.46 -2.44 0.20 0.00 0.82 0.00 0.00 66.70 65.74 1ieb h VAL 65 Cb 0.54 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 33.02 1ieb h VAL 65 CO -0.30 0.73 0.50 0.44 0.02 0.00 0.00 177.57 178.96 1ieb h ASP 66 N 0.18 0.04 -0.25 0.57 3.32 0.19 0.62 116.42 121.09 1ieb h ASP 66 Ca -0.18 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1ieb h ASP 66 Cb 1.85 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 1ieb h ASP 66 CO 0.22 0.02 -0.06 0.50 -1.72 0.00 0.00 179.24 178.20 1ieb h LYS 67 N 0.05 0.48 0.63 3.56 3.11 -0.34 -1.97 116.57 122.09 1ieb h LYS 67 Ca 0.34 -0.19 -0.03 0.00 -2.81 0.00 0.00 60.65 57.96 1ieb h LYS 67 Cb 1.27 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1ieb h LYS 67 CO -0.02 0.71 -0.31 0.00 -2.81 0.00 0.00 179.45 177.02 1ieb h ALA 68 N 0.76 -0.85 -0.82 5.00 0.00 0.32 -2.97 119.26 120.69 1ieb h ALA 68 Ca 0.06 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1ieb h ALA 68 Cb 0.53 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1ieb h ALA 68 CO 0.03 -0.98 0.53 -0.91 0.00 0.00 0.00 179.25 177.92 1ieb h ASN 69 N -0.85 0.68 -0.31 0.00 2.35 -1.00 -1.71 115.58 114.73 1ieb h ASN 69 Ca -0.09 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1ieb h ASN 69 Cb 0.65 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1ieb h ASN 69 CO 0.14 0.40 0.17 0.25 -1.65 0.00 0.00 177.43 176.74 1ieb h LEU 70 N 0.75 0.27 -1.60 1.61 5.85 -1.20 0.38 115.31 121.37 1ieb h LEU 70 Ca 0.38 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1ieb h LEU 70 Cb 0.47 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1ieb h LEU 70 CO -0.15 0.20 0.10 0.44 -0.34 0.00 0.00 178.44 178.69 1ieb h ASP 71 N 0.36 0.32 0.57 1.25 3.32 -1.23 0.61 116.42 121.61 1ieb h ASP 71 Ca 0.12 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1ieb h ASP 71 Cb 0.02 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ieb h ASP 71 CO -0.07 0.30 -0.27 0.58 -1.72 0.00 0.00 179.24 178.06 1ieb h VAL 72 N 0.37 0.10 -0.83 -1.35 2.07 -0.80 -2.04 116.25 113.76 1ieb h VAL 72 Ca 0.09 -0.44 0.16 0.00 0.82 0.00 0.00 66.70 67.33 1ieb h VAL 72 Cb 0.08 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 1ieb h VAL 72 CO -0.01 0.02 0.55 0.24 0.02 0.00 0.00 177.57 178.39 1ieb h MET 73 N -1.16 0.51 -0.52 1.57 2.86 0.26 0.16 114.93 118.62 1ieb h MET 73 Ca -0.08 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 1ieb h MET 73 Cb 0.61 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ieb h MET 73 CO 0.13 0.34 -0.05 0.87 1.06 0.00 0.00 176.91 179.25 1ieb h LYS 74 N 0.53 0.91 0.45 1.72 1.57 0.27 -2.43 116.57 119.60 1ieb h LYS 74 Ca 0.42 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1ieb h LYS 74 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ieb h LYS 74 CO -0.16 0.94 -0.22 1.49 -0.57 0.00 0.00 179.45 180.93 1ieb h GLU 75 N 0.83 -0.59 -1.59 3.15 4.81 -0.29 0.17 114.58 121.07 1ieb h GLU 75 Ca 0.15 0.04 0.50 0.00 -0.13 0.00 0.00 59.36 59.92 1ieb h GLU 75 Cb 0.57 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.97 1ieb h GLU 75 CO 0.03 -0.33 1.08 -2.13 -0.73 0.00 0.00 179.01 176.94 1ieb n ARG 76 N -5.19 -0.02 -0.62 1.92 0.63 0.38 0.35 116.66 114.11 1ieb n ARG 76 Ca -0.09 1.15 0.02 0.00 -0.92 0.00 0.00 57.85 58.01 1ieb n ARG 76 Cb 0.27 -2.42 0.22 0.00 0.45 0.00 0.00 32.46 30.99 1ieb n ARG 76 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1ieb n SER 77 N -4.33 3.14 -2.40 6.15 3.41 -0.92 -4.97 113.62 113.70 1ieb n SER 77 Ca 0.41 -3.40 -0.21 0.00 -0.26 0.00 0.00 58.87 55.41 1ieb n SER 77 Cb 1.71 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 65.06 1ieb n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ieb n ASN 78 N -0.87 -5.96 -2.00 4.04 2.85 0.15 -2.39 115.26 111.09 1ieb n ASN 78 Ca 0.28 -0.02 -0.18 0.00 -0.11 0.00 0.00 54.58 54.56 1ieb n ASN 78 Cb 0.97 -4.96 -0.04 0.00 1.24 0.00 0.00 39.78 36.99 1ieb n ASN 78 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1ieb n ASN 79 N -2.02 -4.93 -4.57 1.20 5.03 0.59 -4.89 115.26 105.68 1ieb n ASN 79 Ca -0.25 0.24 -0.40 0.00 0.87 0.00 0.00 54.58 55.04 1ieb n ASN 79 Cb 0.69 -4.26 -0.03 0.00 -1.02 0.00 0.00 39.78 35.16 1ieb n ASN 79 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1ieb s THR 80 N -2.70 3.36 -0.35 3.41 2.01 -1.00 -4.93 115.64 115.42 1ieb s THR 80 Ca 0.00 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 1ieb s THR 80 Cb 0.00 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1ieb s THR 80 CO 0.00 -0.58 1.30 -2.16 -0.69 0.00 0.00 174.62 172.49 1ieb s PRO 81 N 6.62 3.81 1.33 4.92 0.04 -1.26 -5.01 135.00 145.44 1ieb s PRO 81 Ca 0.76 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1ieb s PRO 81 Cb -0.17 -3.92 0.33 0.00 0.04 0.00 0.00 34.50 30.78 1ieb s PRO 81 CO 0.27 -1.26 0.75 -3.47 0.04 0.00 0.00 177.00 173.33 1ieb n ASP 82 N 7.94 -3.92 -4.92 6.66 -0.08 -1.26 -5.00 116.55 115.97 1ieb n ASP 82 Ca 0.15 -0.76 -0.26 0.00 -1.51 0.00 0.00 54.79 52.40 1ieb n ASP 82 Cb 0.47 -0.91 0.06 0.00 2.34 0.00 0.00 41.12 43.08 1ieb n ASP 82 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ieb s ALA 83 N -2.09 3.13 -0.30 -1.67 0.00 -1.26 -5.06 121.76 114.50 1ieb s ALA 83 Ca 0.58 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1ieb s ALA 83 Cb -0.10 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1ieb s ALA 83 CO 0.49 -1.21 0.18 -0.80 0.00 0.00 0.00 175.76 174.42 1ieb s ASN 84 N -4.46 5.80 -0.31 0.00 -0.87 -1.26 -4.82 114.94 109.01 1ieb s ASN 84 Ca 0.59 -0.27 -0.25 0.00 -1.57 0.00 0.00 52.86 51.35 1ieb s ASN 84 Cb -0.11 -2.07 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1ieb s ASN 84 CO 0.46 -0.13 0.88 -0.69 -2.57 0.00 0.00 177.10 175.05 1ieb s VAL 85 N 1.70 4.70 0.31 1.60 1.01 -0.37 -4.56 120.40 124.78 1ieb s VAL 85 Ca 0.06 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 63.13 1ieb s VAL 85 Cb -0.16 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1ieb s VAL 85 CO 0.09 -0.32 1.32 0.00 0.00 0.00 0.00 175.10 176.19 1ieb s ALA 86 N 3.18 3.52 0.58 5.51 0.00 -1.26 -2.57 121.76 130.71 1ieb s ALA 86 Ca 0.37 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1ieb s ALA 86 Cb -0.14 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1ieb s ALA 86 CO 0.13 -0.64 1.04 -1.25 0.00 0.00 0.00 175.76 175.04 1ieb s PRO 87 N -1.42 3.47 -0.23 0.00 0.04 -1.26 -4.58 135.00 131.01 1ieb s PRO 87 Ca 0.51 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.61 1ieb s PRO 87 Cb -0.40 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 1ieb s PRO 87 CO 0.50 -0.68 0.05 -2.00 0.04 0.00 0.00 177.00 174.91 1ieb s GLU 88 N -4.13 3.68 0.03 4.56 2.12 0.99 -4.92 118.70 121.03 1ieb s GLU 88 Ca 0.62 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.50 1ieb s GLU 88 Cb -0.14 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1ieb s GLU 88 CO 0.36 -0.10 0.02 0.08 -0.54 0.00 0.00 175.26 175.08 1ieb s VAL 89 N 1.37 4.24 -0.21 3.70 1.01 -1.26 0.14 120.40 129.39 1ieb s VAL 89 Ca 0.05 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1ieb s VAL 89 Cb -0.15 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.35 1ieb s VAL 89 CO 0.03 0.27 0.51 -0.89 0.00 0.00 0.00 175.10 175.02 1ieb s THR 90 N -1.20 -0.08 -0.16 3.92 2.01 -1.05 -4.95 115.64 114.14 1ieb s THR 90 Ca 0.23 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 1ieb s THR 90 Cb -0.12 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1ieb s THR 90 CO 0.14 0.03 0.07 -0.69 -0.69 0.00 0.00 174.62 173.48 1ieb s VAL 91 N 1.58 4.85 0.16 3.82 1.01 -1.26 0.88 120.40 131.44 1ieb s VAL 91 Ca -0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1ieb s VAL 91 Cb -0.08 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1ieb s VAL 91 CO -0.15 0.50 0.40 -1.48 0.00 0.00 0.00 175.10 174.37 1ieb s LEU 92 N 0.00 0.50 0.72 3.92 2.34 0.12 -4.97 118.68 121.30 1ieb s LEU 92 Ca 0.06 -0.53 -0.11 0.00 0.06 0.00 0.00 54.13 53.62 1ieb s LEU 92 Cb -0.12 1.74 0.03 0.00 -0.56 0.00 0.00 46.19 47.27 1ieb s LEU 92 CO 0.01 -0.92 1.10 -0.94 -1.06 0.00 0.00 176.35 174.53 1ieb s SER 93 N -2.87 5.25 0.05 1.48 1.04 -1.26 0.38 113.70 117.77 1ieb s SER 93 Ca 0.08 1.01 0.23 0.00 0.48 0.00 0.00 55.95 57.75 1ieb s SER 93 Cb 0.01 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.34 1ieb s SER 93 CO -0.06 -1.44 0.94 -1.14 0.98 0.00 0.00 173.24 172.52 1ieb n ARG 94 N -3.03 0.34 -3.52 4.02 0.63 -0.19 -4.67 116.66 110.23 1ieb n ARG 94 Ca 0.07 -0.02 -0.14 0.00 -0.92 0.00 0.00 57.85 56.84 1ieb n ARG 94 Cb 0.58 -1.59 -0.05 0.00 0.45 0.00 0.00 32.46 31.85 1ieb n ARG 94 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1ieb s SER 95 N -4.04 -0.51 0.08 6.15 1.04 -1.26 -5.04 113.70 110.12 1ieb s SER 95 Ca 0.02 0.43 -0.31 0.00 0.48 0.00 0.00 55.95 56.57 1ieb s SER 95 Cb 0.14 0.45 -0.17 0.00 0.10 0.00 0.00 66.02 66.54 1ieb s SER 95 CO 0.82 -0.57 0.74 -2.65 0.98 0.00 0.00 173.24 172.56 1ieb n PRO 96 N 0.54 0.00 -3.25 4.02 -0.02 -1.26 -4.87 135.00 130.15 1ieb n PRO 96 Ca -0.14 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 1ieb n PRO 96 Cb 0.59 -1.14 -0.08 0.00 -0.02 0.00 0.00 33.50 32.85 1ieb n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ieb s VAL 97 N -0.41 5.03 -0.18 -1.45 1.01 -1.26 -5.04 120.40 118.10 1ieb s VAL 97 Ca 0.71 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 1ieb s VAL 97 Cb -1.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 31.41 1ieb s VAL 97 CO 0.51 -0.21 -0.08 0.20 0.00 0.00 0.00 175.10 175.52 1ieb s ASN 98 N 1.76 4.23 -0.32 3.32 0.01 -1.26 -5.05 114.94 117.62 1ieb s ASN 98 Ca 0.18 -0.34 -0.41 0.00 -0.71 0.00 0.00 52.86 51.58 1ieb s ASN 98 Cb -0.16 -1.69 -0.16 0.00 0.41 0.00 0.00 41.25 39.65 1ieb s ASN 98 CO 0.13 0.07 1.75 0.18 -1.51 0.00 0.00 177.10 177.72 1ieb n LEU 99 N 4.15 2.17 0.00 0.60 4.77 -1.26 -1.32 117.00 126.12 1ieb n LEU 99 Ca -0.18 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 1ieb n LEU 99 Cb 0.52 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1ieb n LEU 99 CO 0.30 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1ieb n GLY 100 N 4.31 1.15 3.41 -0.72 0.00 0.16 -4.99 105.19 108.50 1ieb n GLY 100 Ca 0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 1ieb n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ieb s GLU 101 N -0.47 3.56 0.31 1.61 -1.05 -0.43 -4.87 118.70 117.35 1ieb s GLU 101 Ca 0.00 -0.54 -0.25 0.00 -0.15 0.00 0.00 54.97 54.03 1ieb s GLU 101 Cb 0.00 -3.14 -0.15 0.00 -0.44 0.00 0.00 34.13 30.40 1ieb s GLU 101 CO 0.00 -0.12 0.53 -0.35 0.95 0.00 0.00 175.26 176.27 1ieb n PRO 102 N 4.64 0.38 -3.51 -4.83 -0.04 -1.26 -4.28 135.00 126.10 1ieb n PRO 102 Ca -0.17 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 1ieb n PRO 102 Cb 0.51 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 1ieb n PRO 102 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ieb n ASN 103 N 1.75 -1.12 -3.81 3.54 2.85 -0.45 -4.97 115.26 113.05 1ieb n ASN 103 Ca 0.14 -2.53 -0.16 0.00 -0.11 0.00 0.00 54.58 51.91 1ieb n ASN 103 Cb 0.33 2.08 -0.16 0.00 1.24 0.00 0.00 39.78 43.27 1ieb n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1ieb s ILE 104 N -2.73 0.12 -0.19 -1.44 1.01 -1.26 -1.33 121.20 115.38 1ieb s ILE 104 Ca 0.23 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.78 1ieb s ILE 104 Cb -0.01 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 1ieb s ILE 104 CO 0.17 0.13 0.66 -0.76 0.00 0.00 0.00 174.94 175.14 1ieb s LEU 105 N 1.00 4.15 -0.26 2.97 1.43 0.97 -1.02 118.68 127.92 1ieb s LEU 105 Ca -0.10 0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 53.78 1ieb s LEU 105 Cb -0.13 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 1ieb s LEU 105 CO -0.02 -0.30 0.21 -0.63 0.23 0.00 0.00 176.35 175.84 1ieb s ILE 106 N 1.96 5.31 -0.42 -0.59 1.01 0.16 -1.23 121.20 127.40 1ieb s ILE 106 Ca 0.30 0.24 -0.09 0.00 0.00 0.00 0.00 60.65 61.11 1ieb s ILE 106 Cb -0.16 -3.55 0.08 0.00 0.01 0.00 0.00 42.46 38.84 1ieb s ILE 106 CO 0.11 0.28 0.26 0.00 0.00 0.00 0.00 174.94 175.58 1ieb s PHE 108 N 1.42 3.00 -0.20 0.00 5.36 0.26 -1.53 117.98 126.28 1ieb s PHE 108 Ca 0.03 -1.00 -0.27 0.00 -0.96 0.00 0.00 56.93 54.73 1ieb s PHE 108 Cb -0.23 -4.07 -0.00 0.00 -0.34 0.00 0.00 43.02 38.38 1ieb s PHE 108 CO 0.02 -1.35 0.94 0.42 -1.46 0.00 0.00 175.22 173.79 1ieb s ILE 109 N 2.75 4.77 0.10 3.12 1.09 -0.21 -2.51 121.20 130.30 1ieb s ILE 109 Ca 0.15 1.84 0.05 0.00 -1.10 0.00 0.00 60.65 61.60 1ieb s ILE 109 Cb -0.20 -4.23 -0.03 0.00 -1.06 0.00 0.00 42.46 36.93 1ieb s ILE 109 CO 0.04 -0.09 -0.13 -0.62 -0.10 0.00 0.00 174.94 174.05 1ieb s ASP 110 N 1.21 1.75 -1.40 3.58 2.15 0.12 -0.23 116.67 123.86 1ieb s ASP 110 Ca 0.41 -0.74 -0.04 0.00 0.43 0.00 0.00 52.55 52.61 1ieb s ASP 110 Cb -0.16 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 1ieb s ASP 110 CO 0.09 -0.15 0.52 0.29 -0.17 0.00 0.00 175.17 175.75 1ieb n LYS 111 N 0.81 -4.23 -4.60 4.34 5.02 -0.70 -0.01 118.16 118.79 1ieb n LYS 111 Ca -0.18 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 56.63 1ieb n LYS 111 Cb 0.56 -5.46 -0.08 0.00 -0.02 0.00 0.00 35.03 30.03 1ieb n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ieb s PHE 112 N -3.10 2.06 0.00 2.13 -0.71 -0.53 -4.58 117.98 113.26 1ieb s PHE 112 Ca 0.26 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.30 1ieb s PHE 112 Cb -0.11 -1.71 0.00 0.00 -1.21 0.00 0.00 43.02 39.99 1ieb s PHE 112 CO 0.32 0.22 0.00 0.45 -1.34 0.00 0.00 175.22 174.86 1ieb n SER 113 N -1.24 0.00 -4.73 1.98 2.88 -1.06 -0.64 113.62 110.81 1ieb n SER 113 Ca -0.13 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.08 1ieb n SER 113 Cb 0.67 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.21 1ieb n SER 113 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ieb s PRO 114 N -1.64 2.29 -0.26 -1.46 0.04 -1.26 -1.24 135.00 131.48 1ieb s PRO 114 Ca 0.00 1.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 1ieb s PRO 114 Cb 0.00 -1.86 -0.27 0.00 0.04 0.00 0.00 34.50 32.40 1ieb s PRO 114 CO 0.00 -1.69 1.66 -0.35 0.04 0.00 0.00 177.00 176.66 1ieb n PRO 115 N -2.70 0.51 -3.62 0.56 -0.04 -1.26 -4.69 135.00 123.76 1ieb n PRO 115 Ca 0.12 -1.22 -0.01 0.00 -0.04 0.00 0.00 63.50 62.35 1ieb n PRO 115 Cb 0.51 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1ieb n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ieb s VAL 116 N 6.11 -0.91 0.31 0.52 -7.23 -1.26 -5.05 120.40 112.89 1ieb s VAL 116 Ca 0.59 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.78 1ieb s VAL 116 Cb 0.13 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 1ieb s VAL 116 CO 0.24 0.00 0.31 0.68 -0.31 0.00 0.00 175.10 176.02 1ieb s VAL 117 N 2.80 0.00 -0.15 1.32 -7.23 -1.26 -4.44 120.40 111.43 1ieb s VAL 117 Ca -0.06 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1ieb s VAL 117 Cb -0.11 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.35 1ieb s VAL 117 CO -0.19 0.00 0.05 0.20 -0.31 0.00 0.00 175.10 174.85 1ieb s ASN 118 N -3.29 2.35 0.02 4.85 0.01 -0.26 -4.98 114.94 113.65 1ieb s ASN 118 Ca 0.37 -0.55 0.04 0.00 -0.71 0.00 0.00 52.86 52.01 1ieb s ASN 118 Cb 0.02 -0.42 -0.03 0.00 0.41 0.00 0.00 41.25 41.23 1ieb s ASN 118 CO 0.22 -0.29 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.73 1ieb s VAL 119 N 1.99 3.41 -0.11 1.60 1.01 -1.25 -0.79 120.40 126.27 1ieb s VAL 119 Ca 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1ieb s VAL 119 Cb -0.15 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.80 1ieb s VAL 119 CO -0.07 0.37 0.24 -0.89 0.00 0.00 0.00 175.10 174.74 1ieb s THR 120 N -0.99 -0.19 0.33 3.92 2.01 0.04 -4.94 115.64 115.82 1ieb s THR 120 Ca 0.17 0.21 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1ieb s THR 120 Cb -0.11 -0.38 -0.08 0.00 0.01 0.00 0.00 72.50 71.94 1ieb s THR 120 CO 0.07 0.09 0.70 0.26 -0.69 0.00 0.00 174.62 175.05 1ieb s TRP 121 N 1.74 3.42 -0.12 4.92 0.52 -1.26 0.83 118.94 128.98 1ieb s TRP 121 Ca -0.05 1.06 -0.02 0.00 0.02 0.00 0.00 56.10 57.12 1ieb s TRP 121 Cb -0.11 -2.43 0.04 0.00 -1.15 0.00 0.00 33.47 29.82 1ieb s TRP 121 CO -0.08 0.08 0.02 -0.51 0.02 0.00 0.00 176.95 176.48 1ieb s LEU 122 N -3.23 0.78 -0.34 2.99 1.43 0.11 -1.54 118.68 118.87 1ieb s LEU 122 Ca 0.51 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1ieb s LEU 122 Cb -0.10 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.62 1ieb s LEU 122 CO 0.23 -0.25 0.23 -0.60 0.23 0.00 0.00 176.35 176.19 1ieb s ARG 123 N 1.94 3.42 -1.50 1.70 3.52 0.21 -0.84 118.95 127.41 1ieb s ARG 123 Ca 0.03 -0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 54.80 1ieb s ARG 123 Cb -0.14 -3.77 0.09 0.00 -1.56 0.00 0.00 34.95 29.57 1ieb s ARG 123 CO -0.07 -0.46 0.78 0.09 -0.81 0.00 0.00 175.30 174.84 1ieb n ASN 124 N 5.08 -4.28 0.00 -2.12 3.02 0.13 -1.80 115.26 115.29 1ieb n ASN 124 Ca -0.13 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1ieb n ASN 124 Cb 0.49 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 1ieb n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ieb n GLY 125 N -1.47 3.27 3.92 7.41 0.00 -1.26 -5.03 105.19 112.04 1ieb n GLY 125 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1ieb n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ieb s ARG 126 N -0.59 3.51 0.53 1.61 0.52 -0.75 -4.99 118.95 118.80 1ieb s ARG 126 Ca 0.00 -0.35 -0.20 0.00 -0.52 0.00 0.00 55.73 54.66 1ieb s ARG 126 Cb 0.00 -2.88 -0.06 0.00 0.52 0.00 0.00 34.95 32.53 1ieb s ARG 126 CO 0.00 0.45 1.13 -2.14 0.02 0.00 0.00 175.30 174.76 1ieb s PRO 127 N -3.11 3.44 -0.13 3.54 0.02 -1.26 -0.61 135.00 136.88 1ieb s PRO 127 Ca 0.38 1.63 -0.00 0.00 0.02 0.00 0.00 61.00 63.03 1ieb s PRO 127 Cb -0.11 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 1ieb s PRO 127 CO 0.28 -0.78 -0.13 0.08 -0.33 0.00 0.00 177.00 176.12 1ieb s VAL 128 N -1.74 3.07 -0.06 3.83 1.01 -0.59 -4.74 120.40 121.19 1ieb s VAL 128 Ca 0.71 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1ieb s VAL 128 Cb -0.24 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.74 1ieb s VAL 128 CO 0.28 0.52 0.07 0.35 0.00 0.00 0.00 175.10 176.32 1ieb n THR 129 N 3.56 0.37 -3.93 3.92 -2.24 -1.26 -4.59 114.28 110.11 1ieb n THR 129 Ca -0.18 -0.28 -0.36 0.00 -2.27 0.00 0.00 64.05 60.95 1ieb n THR 129 Cb 0.53 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 1ieb n THR 129 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ieb s GLU 130 N -2.30 3.54 0.00 -0.78 -1.05 -1.26 -4.30 118.70 112.55 1ieb s GLU 130 Ca -0.04 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 1ieb s GLU 130 Cb 0.03 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 1ieb s GLU 130 CO 0.32 0.66 0.00 0.41 0.95 0.00 0.00 175.26 177.60 1ieb n GLY 131 N 2.36 0.47 3.23 -3.83 0.00 -1.26 -4.81 105.19 101.35 1ieb n GLY 131 Ca -0.19 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1ieb n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ieb s VAL 132 N -2.00 1.71 0.03 1.61 -7.23 -1.26 -0.35 120.40 112.92 1ieb s VAL 132 Ca 0.00 -0.92 -0.09 0.00 -1.81 0.00 0.00 61.98 59.16 1ieb s VAL 132 Cb 0.00 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1ieb s VAL 132 CO 0.00 0.48 0.18 -0.94 -0.31 0.00 0.00 175.10 174.51 1ieb s SER 133 N -0.47 0.04 0.08 4.85 1.04 0.43 -4.99 113.70 114.68 1ieb s SER 133 Ca 0.07 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1ieb s SER 133 Cb -0.09 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1ieb s SER 133 CO -0.01 -0.50 -0.06 -1.83 0.98 0.00 0.00 173.24 171.82 1ieb s GLU 134 N -2.20 0.73 0.30 4.02 -1.05 -1.26 0.95 118.70 120.18 1ieb s GLU 134 Ca -0.08 -1.16 0.03 0.00 -0.15 0.00 0.00 54.97 53.61 1ieb s GLU 134 Cb -0.03 -0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.45 1ieb s GLU 134 CO -0.02 -0.01 0.45 0.95 0.95 0.00 0.00 175.26 177.58 1ieb s THR 135 N -3.04 5.05 0.00 1.83 -4.23 0.42 -4.99 115.64 110.69 1ieb s THR 135 Ca 0.05 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1ieb s THR 135 Cb 0.01 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1ieb s THR 135 CO -0.04 -0.40 0.00 1.33 -0.54 0.00 0.00 174.62 174.97 1ieb n VAL 136 N -1.60 0.00 -3.10 2.29 0.24 -1.26 -4.60 118.33 110.31 1ieb n VAL 136 Ca -0.06 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.81 1ieb n VAL 136 Cb 0.57 -0.93 -0.07 0.00 -1.47 0.00 0.00 33.84 31.94 1ieb n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ieb s PHE 137 N 0.00 3.07 0.03 6.34 0.08 -1.26 -4.58 117.98 121.66 1ieb s PHE 137 Ca 0.00 0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.79 1ieb s PHE 137 Cb 0.00 -3.35 -0.05 0.00 -0.57 0.00 0.00 43.02 39.05 1ieb s PHE 137 CO 0.00 -0.85 0.85 -0.51 -0.10 0.00 0.00 175.22 174.60 1ieb s LEU 138 N 2.85 4.42 0.62 -0.37 1.43 0.56 -4.93 118.68 123.25 1ieb s LEU 138 Ca 0.23 1.53 -0.16 0.00 -1.03 0.00 0.00 54.13 54.71 1ieb s LEU 138 Cb -0.14 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1ieb s LEU 138 CO 0.19 -0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.60 1ieb s PRO 139 N 0.33 3.11 0.55 1.29 0.04 -1.26 -1.91 135.00 137.15 1ieb s PRO 139 Ca 0.43 1.29 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1ieb s PRO 139 Cb -0.21 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1ieb s PRO 139 CO 0.25 -0.99 0.30 1.03 0.04 0.00 0.00 177.00 177.63 1ieb s ARG 140 N -4.06 2.23 0.21 4.56 0.52 -1.05 -4.75 118.95 116.60 1ieb s ARG 140 Ca 0.65 -2.19 -0.06 0.00 -0.52 0.00 0.00 55.73 53.62 1ieb s ARG 140 Cb -0.18 -1.91 0.16 0.00 0.52 0.00 0.00 34.95 33.54 1ieb s ARG 140 CO 0.38 -0.61 1.66 -0.44 0.02 0.00 0.00 175.30 176.31 1ieb h ASP 141 N 0.86 0.90 0.00 0.23 3.32 -1.97 -3.44 116.42 116.32 1ieb h ASP 141 Ca -0.38 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1ieb h ASP 141 Cb 1.31 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1ieb h ASP 141 CO 0.61 1.01 0.00 -0.90 -1.72 0.00 0.00 179.24 178.25 1ieb n ASP 142 N -4.16 0.00 -0.41 6.45 5.68 -1.26 -4.98 116.55 117.87 1ieb n ASP 142 Ca 0.02 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.39 1ieb n ASP 142 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1ieb n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ieb n HIS 143 N 0.00 0.00 -2.85 2.11 1.44 -1.26 -5.00 115.22 109.66 1ieb n HIS 143 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1ieb n HIS 143 Cb 0.00 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 1ieb n HIS 143 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ieb s LEU 144 N -2.04 3.50 0.27 2.39 1.43 -1.26 -5.00 118.68 117.96 1ieb s LEU 144 Ca 0.15 0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.52 1ieb s LEU 144 Cb 0.14 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 1ieb s LEU 144 CO 0.41 -0.87 -0.11 -0.36 0.23 0.00 0.00 176.35 175.65 1ieb s PHE 145 N -2.64 2.48 0.03 0.29 0.08 0.19 -2.54 117.98 115.87 1ieb s PHE 145 Ca 0.52 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.31 1ieb s PHE 145 Cb -0.10 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.24 1ieb s PHE 145 CO 0.38 0.66 -0.06 -0.98 -0.10 0.00 0.00 175.22 175.12 1ieb s ARG 146 N -3.54 0.46 -0.05 0.44 1.70 -0.80 -1.45 118.95 115.72 1ieb s ARG 146 Ca 0.30 -0.63 -0.06 0.00 -0.47 0.00 0.00 55.73 54.87 1ieb s ARG 146 Cb -0.06 -0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.10 1ieb s ARG 146 CO 0.17 0.04 0.16 0.21 -1.08 0.00 0.00 175.30 174.80 1ieb s LYS 147 N -1.31 0.24 0.01 3.89 2.20 0.68 -0.32 119.74 125.14 1ieb s LYS 147 Ca -0.09 0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1ieb s LYS 147 Cb -0.09 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1ieb s LYS 147 CO 0.00 -0.04 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.84 1ieb s PHE 148 N -0.17 2.93 0.03 4.03 0.40 -1.26 -1.04 117.98 122.90 1ieb s PHE 148 Ca -0.03 -0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1ieb s PHE 148 Cb -0.02 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1ieb s PHE 148 CO 0.00 0.40 -0.11 -1.01 0.70 0.00 0.00 175.22 175.21 1ieb s HIS 149 N -1.04 0.92 0.02 0.36 3.76 -0.58 -0.43 115.29 118.30 1ieb s HIS 149 Ca 0.18 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.78 1ieb s HIS 149 Cb -0.11 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 1ieb s HIS 149 CO 0.09 -0.01 -0.04 0.71 -0.85 0.00 0.00 174.74 174.64 1ieb s TYR 150 N -0.77 0.37 -0.05 1.40 1.51 0.27 0.25 117.35 120.33 1ieb s TYR 150 Ca -0.01 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 1ieb s TYR 150 Cb -0.07 -0.24 0.03 0.00 -0.11 0.00 0.00 41.96 41.56 1ieb s TYR 150 CO 0.01 -0.14 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.12 1ieb s LEU 151 N -1.33 1.04 -0.01 -1.29 2.96 -0.36 -0.43 118.68 119.26 1ieb s LEU 151 Ca -0.12 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.41 1ieb s LEU 151 Cb -0.09 -0.37 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 1ieb s LEU 151 CO -0.00 -0.11 1.10 -0.89 -1.32 0.00 0.00 176.35 175.12 1ieb s THR 152 N 1.27 4.47 0.04 3.68 2.01 0.53 -0.02 115.64 127.62 1ieb s THR 152 Ca -0.06 1.77 -0.02 0.00 0.31 0.00 0.00 61.69 63.69 1ieb s THR 152 Cb -0.13 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1ieb s THR 152 CO -0.02 0.09 0.01 0.72 -0.69 0.00 0.00 174.62 174.73 1ieb s PHE 153 N 1.44 0.35 -0.37 4.92 -0.71 -0.44 -4.96 117.98 118.22 1ieb s PHE 153 Ca 0.54 -0.76 -0.08 0.00 -1.04 0.00 0.00 56.93 55.59 1ieb s PHE 153 Cb -0.24 -0.26 0.05 0.00 -1.21 0.00 0.00 43.02 41.36 1ieb s PHE 153 CO 0.25 -0.34 0.17 -1.17 -1.34 0.00 0.00 175.22 172.80 1ieb s LEU 154 N -2.33 4.63 -0.21 -1.99 2.96 -1.26 -1.34 118.68 119.13 1ieb s LEU 154 Ca -0.02 -1.20 -0.06 0.00 -0.22 0.00 0.00 54.13 52.63 1ieb s LEU 154 Cb 0.01 -1.93 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 1ieb s LEU 154 CO -0.06 -0.39 1.18 -2.65 -1.32 0.00 0.00 176.35 173.10 1ieb n PRO 155 N 4.88 0.02 -3.73 0.98 -0.02 -1.26 -4.84 135.00 131.02 1ieb n PRO 155 Ca -0.11 -0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 60.72 1ieb n PRO 155 Cb 0.45 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1ieb n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ieb s SER 156 N 2.11 6.42 0.20 2.55 0.15 -1.26 -0.67 113.70 123.20 1ieb s SER 156 Ca 0.17 0.44 0.14 0.00 0.70 0.00 0.00 55.95 57.40 1ieb s SER 156 Cb -0.01 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1ieb s SER 156 CO 0.05 0.03 1.27 0.71 1.20 0.00 0.00 173.24 176.50 1ieb h THR 157 N 1.81 0.96 0.00 6.45 1.35 -1.97 -3.33 112.91 118.18 1ieb h THR 157 Ca -0.47 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 62.97 1ieb h THR 157 Cb 1.18 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1ieb h THR 157 CO 0.71 0.55 -0.29 -0.78 -0.25 0.00 0.00 175.52 175.46 1ieb h ASP 158 N 0.00 0.00 -2.93 5.36 1.82 -1.97 -3.48 116.42 115.21 1ieb h ASP 158 Ca -0.04 -0.01 -0.45 0.00 -0.39 0.00 0.00 57.03 56.14 1ieb h ASP 158 Cb 1.51 0.00 0.05 0.00 0.68 0.00 0.00 39.33 41.58 1ieb h ASP 158 CO 0.07 0.00 0.03 -1.81 -1.61 0.00 0.00 179.24 175.93 1ieb s ASP 159 N -5.80 5.30 -0.07 2.28 1.01 -1.25 -5.06 116.67 113.08 1ieb s ASP 159 Ca 0.05 0.21 -0.20 0.00 0.71 0.00 0.00 52.55 53.33 1ieb s ASP 159 Cb 0.07 -1.12 0.04 0.00 1.01 0.00 0.00 42.92 42.92 1ieb s ASP 159 CO 0.70 -1.16 0.45 0.72 0.21 0.00 0.00 175.17 176.10 1ieb s PHE 160 N -2.85 -0.40 0.11 4.23 -0.12 -1.26 -4.49 117.98 113.20 1ieb s PHE 160 Ca 0.56 0.78 0.04 0.00 -0.05 0.00 0.00 56.93 58.26 1ieb s PHE 160 Cb -0.10 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1ieb s PHE 160 CO 0.40 -0.41 -0.11 0.71 -0.05 0.00 0.00 175.22 175.77 1ieb s TYR 161 N -0.85 1.17 -0.03 3.49 1.51 0.14 0.18 117.35 122.95 1ieb s TYR 161 Ca -0.09 -0.67 -0.06 0.00 -1.01 0.00 0.00 57.07 55.24 1ieb s TYR 161 Cb -0.03 -0.62 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1ieb s TYR 161 CO 0.05 0.04 0.15 -0.51 -1.11 0.00 0.00 175.55 174.17 1ieb s ASP 162 N -2.64 -0.08 -0.17 2.29 1.11 -0.02 0.27 116.67 117.42 1ieb s ASP 162 Ca 0.09 0.10 -0.03 0.00 0.18 0.00 0.00 52.55 52.89 1ieb s ASP 162 Cb -0.02 0.28 -0.02 0.00 1.07 0.00 0.00 42.92 44.23 1ieb s ASP 162 CO 0.01 -0.18 -0.06 0.00 1.18 0.00 0.00 175.17 176.11 1ieb s GLU 164 N 0.75 2.68 -0.30 0.00 2.56 0.24 -2.74 118.70 121.90 1ieb s GLU 164 Ca -0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 54.97 53.66 1ieb s GLU 164 Cb -0.15 -3.68 0.04 0.00 2.00 0.00 0.00 34.13 32.34 1ieb s GLU 164 CO 0.02 -0.79 0.01 0.08 -0.56 0.00 0.00 175.26 174.02 1ieb s VAL 165 N 1.46 3.22 0.06 3.70 1.01 0.05 -0.78 120.40 129.12 1ieb s VAL 165 Ca 0.01 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.85 1ieb s VAL 165 Cb -0.21 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1ieb s VAL 165 CO 0.04 -0.04 -0.02 -0.62 0.00 0.00 0.00 175.10 174.47 1ieb s ASP 166 N 1.32 4.95 -0.24 3.32 2.15 0.03 -0.30 116.67 127.91 1ieb s ASP 166 Ca -0.03 -0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.54 1ieb s ASP 166 Cb -0.19 -1.19 0.09 0.00 -0.30 0.00 0.00 42.92 41.33 1ieb s ASP 166 CO -0.01 0.21 0.80 -2.28 -0.17 0.00 0.00 175.17 173.73 1ieb s HIS 167 N -1.21 -0.68 -0.44 -5.34 5.65 -1.26 -1.10 115.29 110.92 1ieb s HIS 167 Ca 0.23 1.57 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1ieb s HIS 167 Cb -0.12 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.61 1ieb s HIS 167 CO 0.15 -0.38 0.42 0.91 -0.65 0.00 0.00 174.74 175.19 1ieb n TRP 168 N 2.22 0.00 -0.47 3.88 5.03 -1.26 0.49 117.44 127.33 1ieb n TRP 168 Ca -0.14 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.43 1ieb n TRP 168 Cb 0.56 -0.08 0.07 0.00 -1.03 0.00 0.00 31.31 30.83 1ieb n TRP 168 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1ieb n GLY 169 N -0.92 3.79 3.59 6.99 0.00 -1.26 -4.80 105.19 112.57 1ieb n GLY 169 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1ieb n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ieb s LEU 170 N -1.82 3.46 0.02 0.99 1.43 0.18 -4.29 118.68 118.65 1ieb s LEU 170 Ca 0.15 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.00 1ieb s LEU 170 Cb 0.13 -1.82 -0.16 0.00 0.03 0.00 0.00 46.19 44.36 1ieb s LEU 170 CO 0.02 0.25 1.25 -0.08 0.23 0.00 0.00 176.35 178.02 1ieb h GLU 171 N 6.10 -0.54 -5.12 1.70 4.57 -1.95 -3.44 114.58 115.91 1ieb h GLU 171 Ca -0.40 0.04 -0.49 0.00 -1.18 0.00 0.00 59.36 57.33 1ieb h GLU 171 Cb 1.19 0.12 -0.30 0.00 -0.16 0.00 0.00 28.75 29.60 1ieb h GLU 171 CO 0.61 -0.23 -0.81 -1.83 -1.18 0.00 0.00 179.01 175.56 1ieb s GLU 172 N -4.82 1.26 0.25 1.92 -1.05 -1.26 -5.10 118.70 109.90 1ieb s GLU 172 Ca -0.14 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 53.90 1ieb s GLU 172 Cb 0.02 -1.17 -0.15 0.00 -0.44 0.00 0.00 34.13 32.40 1ieb s GLU 172 CO 0.53 0.24 1.05 -2.30 0.95 0.00 0.00 175.26 175.73 1ieb n PRO 173 N 2.98 1.28 -2.88 -4.83 -0.02 -1.26 -4.91 135.00 125.35 1ieb n PRO 173 Ca -0.16 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.37 1ieb n PRO 173 Cb 0.54 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.11 1ieb n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ieb s LEU 174 N 0.59 4.54 -0.40 2.45 2.96 0.59 -4.85 118.68 124.56 1ieb s LEU 174 Ca 0.63 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 56.24 1ieb s LEU 174 Cb -0.75 -3.40 0.13 0.00 0.50 0.00 0.00 46.19 42.66 1ieb s LEU 174 CO 0.57 0.08 0.20 -0.60 -1.32 0.00 0.00 176.35 175.28 1ieb s ARG 175 N -0.60 1.15 -0.02 1.98 3.52 -1.26 -0.77 118.95 122.96 1ieb s ARG 175 Ca 0.40 -1.77 -0.27 0.00 -0.13 0.00 0.00 55.73 53.95 1ieb s ARG 175 Cb -0.23 -2.28 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 1ieb s ARG 175 CO 0.27 -1.11 0.87 0.15 -0.81 0.00 0.00 175.30 174.67 1ieb s LYS 176 N 0.68 4.52 0.34 5.12 -0.14 -1.11 -4.86 119.74 124.29 1ieb s LYS 176 Ca 0.15 1.21 0.07 0.00 -1.36 0.00 0.00 55.97 56.04 1ieb s LYS 176 Cb -0.23 -3.45 -0.01 0.00 -1.68 0.00 0.00 37.83 32.47 1ieb s LYS 176 CO -0.06 0.02 0.44 -0.08 -0.76 0.00 0.00 175.35 174.91 1ieb s THR 177 N 0.84 3.88 -0.14 2.17 -1.32 -1.26 -0.98 115.64 118.83 1ieb s THR 177 Ca 0.46 -1.07 -0.20 0.00 -1.21 0.00 0.00 61.69 59.67 1ieb s THR 177 Cb -0.20 -3.34 0.05 0.00 -1.51 0.00 0.00 72.50 67.51 1ieb s THR 177 CO 0.24 -0.15 0.52 0.86 -2.21 0.00 0.00 174.62 173.88 1ieb s TRP 178 N -2.21 -0.53 -0.28 9.09 -0.00 0.14 -4.87 118.94 120.28 1ieb s TRP 178 Ca 0.45 1.17 -0.25 0.00 -0.00 0.00 0.00 56.10 57.47 1ieb s TRP 178 Cb -0.09 0.22 0.13 0.00 -0.00 0.00 0.00 33.47 33.73 1ieb s TRP 178 CO 0.30 -0.36 1.09 -1.83 -0.00 0.00 0.00 176.95 176.15 1ieb s GLU 179 N -0.27 0.44 0.22 5.86 -1.05 -1.26 0.27 118.70 122.91 1ieb s GLU 179 Ca -0.04 0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 55.01 1ieb s GLU 179 Cb -0.03 0.21 -0.16 0.00 -0.44 0.00 0.00 34.13 33.71 1ieb s GLU 179 CO 0.03 -0.05 0.88 0.34 0.95 0.00 0.00 175.26 177.40 1ieb n PHE 180 N 2.19 0.65 -4.23 4.83 7.35 -1.26 -5.01 117.46 121.97 1ieb n PHE 180 Ca -0.12 0.81 -0.22 0.00 -0.76 0.00 0.00 57.45 57.16 1ieb n PHE 180 Cb 0.56 -2.15 -0.17 0.00 0.35 0.00 0.00 39.48 38.08 1ieb n PHE 180 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1ieb s GLU 181 N -1.06 1.09 0.00 -4.13 -1.05 -1.26 -5.06 118.70 107.23 1ieb s GLU 181 Ca 0.65 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 1ieb s GLU 181 Cb -0.84 -1.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 1ieb s GLU 181 CO 0.57 -0.08 0.00 -0.85 0.95 0.00 0.00 175.26 175.85