#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aex s HIS 8 N 0.00 -0.01 0.15 -1.77 5.65 -1.26 -5.12 115.29 112.94 1aex s HIS 8 Ca 0.00 0.22 -0.20 0.00 0.25 0.00 0.00 55.06 55.33 1aex s HIS 8 Cb 0.00 -0.24 -0.07 0.00 -1.18 0.00 0.00 32.58 31.08 1aex s HIS 8 CO 0.00 -0.12 0.66 0.15 -0.65 0.00 0.00 174.74 174.78 1aex s LYS 9 N 1.26 4.26 -0.00 2.88 1.02 -1.26 -4.33 119.74 123.56 1aex s LYS 9 Ca -0.07 0.83 0.03 0.00 0.02 0.00 0.00 55.97 56.77 1aex s LYS 9 Cb -0.13 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.10 1aex s LYS 9 CO -0.04 0.52 -0.09 -1.21 -0.92 0.00 0.00 175.35 173.61 1aex s GLU 10 N -1.55 0.73 0.60 1.68 2.02 -0.22 -4.94 118.70 117.02 1aex s GLU 10 Ca 0.36 -0.35 -0.18 0.00 0.02 0.00 0.00 54.97 54.82 1aex s GLU 10 Cb -0.19 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 1aex s GLU 10 CO 0.21 0.19 1.20 -2.14 0.02 0.00 0.00 175.26 174.74 1aex s PRO 11 N -0.29 2.94 0.20 0.39 0.02 -1.26 -0.22 135.00 136.77 1aex s PRO 11 Ca 0.03 1.79 -0.08 0.00 0.02 0.00 0.00 61.00 62.75 1aex s PRO 11 Cb -0.04 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.54 1aex s PRO 11 CO -0.00 -1.22 0.32 0.00 -0.33 0.00 0.00 177.00 175.76 1aex s ALA 12 N -1.67 0.19 -0.09 -1.55 0.00 -0.80 -4.74 121.76 113.11 1aex s ALA 12 Ca 0.76 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1aex s ALA 12 Cb -0.29 1.05 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1aex s ALA 12 CO 0.34 -0.71 -0.10 0.99 0.00 0.00 0.00 175.76 176.28 1aex s THR 13 N -4.03 1.07 0.18 0.00 2.01 -0.99 -4.33 115.64 109.55 1aex s THR 13 Ca 0.24 -0.38 -0.32 0.00 0.31 0.00 0.00 61.69 61.55 1aex s THR 13 Cb 0.03 -1.04 -0.11 0.00 0.01 0.00 0.00 72.50 71.39 1aex s THR 13 CO 0.06 0.36 1.69 -0.22 -0.69 0.00 0.00 174.62 175.81 1aex s LEU 14 N 1.21 4.37 -0.14 4.42 1.98 -1.26 -0.70 118.68 128.57 1aex s LEU 14 Ca -0.04 2.78 -0.14 0.00 -2.89 0.00 0.00 54.13 53.84 1aex s LEU 14 Cb -0.14 -3.59 -0.05 0.00 0.66 0.00 0.00 46.19 43.06 1aex s LEU 14 CO -0.03 -0.93 -0.28 -0.38 -1.89 0.00 0.00 176.35 172.84 1aex n ILE 15 N 4.07 1.41 -3.67 6.68 5.41 -0.30 -4.84 119.36 128.12 1aex n ILE 15 Ca 0.15 0.12 -0.10 0.00 1.00 0.00 0.00 62.75 63.93 1aex n ILE 15 Cb 0.37 -2.14 -0.09 0.00 -0.71 0.00 0.00 39.64 37.07 1aex n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1aex s LYS 16 N -2.68 0.57 0.04 0.38 2.20 -0.96 -4.99 119.74 114.30 1aex s LYS 16 Ca -0.24 0.95 -0.27 0.00 -0.36 0.00 0.00 55.97 56.05 1aex s LYS 16 Cb 0.04 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.43 1aex s LYS 16 CO 0.35 -0.14 0.85 0.00 -0.36 0.00 0.00 175.35 176.05 1aex s ALA 17 N 1.24 3.29 -0.17 3.13 0.00 -1.26 -0.13 121.76 127.87 1aex s ALA 17 Ca -0.08 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1aex s ALA 17 Cb -0.06 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 1aex s ALA 17 CO -0.12 -0.04 -0.32 -0.89 0.00 0.00 0.00 175.76 174.39 1aex n ILE 18 N 3.15 1.47 -2.87 0.00 5.41 -0.79 -4.93 119.36 120.80 1aex n ILE 18 Ca 0.01 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1aex n ILE 18 Cb 0.50 -2.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.19 1aex n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1aex n ASP 19 N -4.36 0.00 -0.12 4.38 5.75 -0.65 -4.99 116.55 116.57 1aex n ASP 19 Ca -0.16 -0.31 0.06 0.00 -0.01 0.00 0.00 54.79 54.37 1aex n ASP 19 Cb 0.51 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.99 1aex n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1aex h GLY 20 N 0.00 0.80 0.00 6.12 0.00 -1.81 -3.29 103.07 104.89 1aex h GLY 20 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1aex h GLY 20 CO 0.00 0.21 0.00 2.09 0.00 0.00 0.00 176.54 178.84 1aex n ASP 21 N -4.47 1.25 -4.29 0.19 5.68 -1.26 -4.76 116.55 108.88 1aex n ASP 21 Ca 0.08 -1.31 -0.16 0.00 -0.50 0.00 0.00 54.79 52.91 1aex n ASP 21 Cb 0.19 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.07 1aex n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1aex s THR 22 N -0.31 1.42 -0.08 2.12 2.01 -1.24 -1.54 115.64 118.02 1aex s THR 22 Ca 0.00 -2.12 0.03 0.00 0.31 0.00 0.00 61.69 59.91 1aex s THR 22 Cb 0.00 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1aex s THR 22 CO 0.00 -0.68 -0.17 -0.54 -0.69 0.00 0.00 174.62 172.54 1aex s LYS 24 N -3.68 2.23 0.10 4.92 1.02 0.81 -1.64 119.74 123.50 1aex s LYS 24 Ca 0.19 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.63 1aex s LYS 24 Cb 0.01 -1.76 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 1aex s LYS 24 CO 0.03 0.11 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.91 1aex s LEU 25 N 0.48 2.34 -0.46 3.17 1.43 0.16 -1.14 118.68 124.66 1aex s LEU 25 Ca -0.15 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.01 1aex s LEU 25 Cb -0.16 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.52 1aex s LEU 25 CO 0.06 -0.10 0.74 -0.32 0.23 0.00 0.00 176.35 176.95 1aex s MET 26 N -2.23 3.33 -0.13 1.70 -2.45 0.13 0.55 119.30 120.20 1aex s MET 26 Ca 0.04 -0.28 0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1aex s MET 26 Cb -0.07 -3.97 -0.00 0.00 1.25 0.00 0.00 34.83 32.04 1aex s MET 26 CO 0.03 -1.13 -0.20 -0.47 1.05 0.00 0.00 175.02 174.30 1aex s TYR 27 N 3.14 2.68 -1.61 4.11 5.04 0.21 -2.36 117.35 128.57 1aex s TYR 27 Ca 0.26 -1.06 -0.16 0.00 -2.44 0.00 0.00 57.07 53.67 1aex s TYR 27 Cb -0.13 -1.80 0.12 0.00 0.35 0.00 0.00 41.96 40.50 1aex s TYR 27 CO 0.20 -0.45 0.88 1.63 -1.34 0.00 0.00 175.55 176.47 1aex n LYS 28 N 3.78 -4.39 0.00 4.97 4.76 -1.26 -0.48 118.16 125.54 1aex n LYS 28 Ca -0.19 0.49 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1aex n LYS 28 Cb 0.52 -5.29 0.00 0.00 -1.84 0.00 0.00 35.03 28.43 1aex n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aex n GLY 29 N -1.56 3.14 3.59 0.72 0.00 -1.26 -5.03 105.19 104.79 1aex n GLY 29 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1aex n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aex s GLN 30 N -0.37 2.82 0.37 1.61 1.03 0.36 -5.06 119.66 120.42 1aex s GLN 30 Ca 0.00 -0.53 -0.27 0.00 0.04 0.00 0.00 55.36 54.61 1aex s GLN 30 Cb 0.00 -2.63 -0.09 0.00 0.03 0.00 0.00 33.01 30.32 1aex s GLN 30 CO 0.00 0.65 1.17 -1.25 -2.54 0.00 0.00 175.29 173.32 1aex s PRO 31 N -0.77 4.22 -0.04 9.60 0.04 -1.26 0.67 135.00 147.47 1aex s PRO 31 Ca 0.12 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 1aex s PRO 31 Cb -0.11 -2.83 0.05 0.00 0.04 0.00 0.00 34.50 31.65 1aex s PRO 31 CO 0.02 -0.19 0.54 1.41 0.04 0.00 0.00 177.00 178.81 1aex s MET 32 N -2.06 0.91 -0.07 4.56 1.75 0.19 -4.86 119.30 119.72 1aex s MET 32 Ca 0.53 0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.95 1aex s MET 32 Cb -0.32 0.42 -0.05 0.00 2.84 0.00 0.00 34.83 37.72 1aex s MET 32 CO 0.41 -0.27 0.27 0.95 -0.65 0.00 0.00 175.02 175.73 1aex s THR 33 N -1.23 5.28 0.12 10.11 -4.23 -1.26 0.40 115.64 124.82 1aex s THR 33 Ca -0.12 0.51 0.09 0.00 -1.18 0.00 0.00 61.69 61.00 1aex s THR 33 Cb -0.02 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1aex s THR 33 CO 0.08 0.59 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.21 1aex s PHE 34 N -1.00 2.52 -0.08 3.99 0.40 -1.26 -1.00 117.98 121.56 1aex s PHE 34 Ca 0.19 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1aex s PHE 34 Cb -0.14 -1.34 0.02 0.00 0.51 0.00 0.00 43.02 42.07 1aex s PHE 34 CO 0.08 0.39 -0.12 0.50 0.70 0.00 0.00 175.22 176.77 1aex s ARG 35 N -2.16 1.76 0.19 0.44 6.06 -0.11 -4.19 118.95 120.93 1aex s ARG 35 Ca 0.18 -0.41 -0.31 0.00 -2.50 0.00 0.00 55.73 52.69 1aex s ARG 35 Cb -0.10 -1.53 -0.10 0.00 0.06 0.00 0.00 34.95 33.27 1aex s ARG 35 CO 0.10 -0.05 1.59 -0.51 -2.50 0.00 0.00 175.30 173.93 1aex s LEU 36 N 0.93 4.37 0.54 -0.88 1.43 -0.59 -3.07 118.68 121.41 1aex s LEU 36 Ca -0.09 2.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.50 1aex s LEU 36 Cb -0.15 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 1aex s LEU 36 CO 0.00 -0.85 1.15 -0.76 0.23 0.00 0.00 176.35 176.13 1aex s LEU 37 N 0.92 3.77 -1.00 1.79 1.43 -0.43 -3.98 118.68 121.18 1aex s LEU 37 Ca 0.70 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 1aex s LEU 37 Cb -0.45 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.23 1aex s LEU 37 CO 0.33 -1.24 0.00 0.18 0.23 0.00 0.00 176.35 175.85 1aex n LEU 38 N -1.24 -0.42 -4.15 1.79 4.77 -1.26 -4.95 117.00 111.54 1aex n LEU 38 Ca 0.11 0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1aex n LEU 38 Cb 0.50 -2.10 -0.10 0.00 -2.33 0.00 0.00 43.42 39.40 1aex n LEU 38 CO 0.43 -0.76 -0.30 0.68 -1.33 0.00 0.00 177.39 176.11 1aex s VAL 39 N -1.69 0.15 -0.21 4.08 -7.23 -1.22 -1.45 120.40 112.82 1aex s VAL 39 Ca 0.00 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 1aex s VAL 39 Cb 0.00 -2.01 0.10 0.00 0.56 0.00 0.00 36.38 35.03 1aex s VAL 39 CO 0.00 -0.51 0.24 -0.62 -0.31 0.00 0.00 175.10 173.90 1aex s ASP 40 N -3.05 1.30 0.30 4.85 2.15 -0.25 -4.64 116.67 117.33 1aex s ASP 40 Ca 0.23 -0.21 -0.08 0.00 0.43 0.00 0.00 52.55 52.91 1aex s ASP 40 Cb 0.07 0.45 -0.06 0.00 -0.30 0.00 0.00 42.92 43.09 1aex s ASP 40 CO 0.01 -0.33 0.61 0.42 -0.17 0.00 0.00 175.17 175.71 1aex s THR 41 N 2.35 4.93 0.53 1.71 -4.23 -1.26 -2.21 115.64 117.46 1aex s THR 41 Ca 0.08 0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 60.69 1aex s THR 41 Cb -0.16 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 1aex s THR 41 CO -0.14 -0.29 1.25 -2.65 -0.54 0.00 0.00 174.62 172.25 1aex n PRO 42 N -0.78 1.56 -2.38 3.99 -0.02 -1.26 -4.88 135.00 131.23 1aex n PRO 42 Ca -0.00 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 1aex n PRO 42 Cb 0.53 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1aex n PRO 42 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1aex s GLU 43 N -2.71 4.37 0.00 -0.52 2.56 -1.26 -4.52 118.70 116.62 1aex s GLU 43 Ca 0.70 1.84 0.00 0.00 0.00 0.00 0.00 54.97 57.51 1aex s GLU 43 Cb -0.44 -2.94 0.00 0.00 2.00 0.00 0.00 34.13 32.75 1aex s GLU 43 CO 0.50 -0.04 0.05 0.25 -0.56 0.00 0.00 175.26 175.46 1aex n THR 44 N 0.66 0.00 0.00 -1.70 -2.24 -1.26 0.12 114.28 109.86 1aex n THR 44 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1aex n THR 44 Cb 0.45 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1aex n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1aex n LYS 45 N -0.44 0.00 0.00 -0.78 4.01 -1.26 -4.63 118.16 115.05 1aex n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1aex n LYS 45 Cb 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.54 1aex n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1aex n HIS 46 N 0.00 0.00 0.15 2.13 -0.00 -1.26 -4.18 115.22 112.06 1aex n HIS 46 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 1aex n HIS 46 Cb 0.00 0.00 0.48 0.00 -0.12 0.00 0.00 29.99 30.35 1aex n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1aex h PRO 47 N 0.00 0.00 -0.63 1.57 0.11 -1.95 0.30 132.00 131.39 1aex h PRO 47 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1aex h PRO 47 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1aex h PRO 47 CO 0.00 0.00 0.04 -0.22 -0.21 0.00 0.00 178.00 177.61 1aex h LYS 48 N 0.00 1.09 0.00 1.05 3.64 -2.04 -3.11 116.57 117.19 1aex h LYS 48 Ca 0.16 -0.32 -0.25 0.00 -1.27 0.00 0.00 60.65 58.97 1aex h LYS 48 Cb 1.67 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.33 1aex h LYS 48 CO -0.00 1.03 -1.90 1.63 -2.27 0.00 0.00 179.45 177.94 1aex n LYS 49 N -4.19 0.65 -0.04 1.90 4.76 0.86 -5.08 118.16 117.02 1aex n LYS 49 Ca 0.04 0.11 0.01 0.00 -2.87 0.00 0.00 58.31 55.59 1aex n LYS 49 Cb 0.33 -1.67 -0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1aex n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aex n GLY 50 N 1.54 -1.56 3.53 0.72 0.00 -0.13 -4.38 105.19 104.92 1aex n GLY 50 Ca -0.19 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1aex n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aex s VAL 51 N -0.08 4.07 0.53 1.61 1.01 -1.26 -4.07 120.40 122.21 1aex s VAL 51 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 1aex s VAL 51 Cb 0.00 -4.74 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 1aex s VAL 51 CO 0.00 -1.48 1.01 -1.61 0.00 0.00 0.00 175.10 173.02 1aex s GLU 52 N 4.79 3.77 0.33 2.72 2.02 0.12 -4.99 118.70 127.47 1aex s GLU 52 Ca 0.33 1.07 -0.29 0.00 0.02 0.00 0.00 54.97 56.11 1aex s GLU 52 Cb -0.11 -2.11 -0.11 0.00 0.10 0.00 0.00 34.13 31.91 1aex s GLU 52 CO 0.18 -0.42 1.47 0.21 0.02 0.00 0.00 175.26 176.71 1aex s LYS 53 N -3.94 4.18 0.00 1.61 2.47 -1.26 -1.55 119.74 121.25 1aex s LYS 53 Ca 0.61 2.47 0.00 0.00 -1.56 0.00 0.00 55.97 57.49 1aex s LYS 53 Cb -0.12 -3.02 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1aex s LYS 53 CO 0.31 -0.47 0.00 0.66 0.16 0.00 0.00 175.35 176.01 1aex n TYR 54 N 1.11 0.00 0.21 4.03 4.01 -1.26 -4.77 117.16 120.50 1aex n TYR 54 Ca 0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 1aex n TYR 54 Cb 0.39 -0.29 -0.08 0.00 -0.31 0.00 0.00 39.34 39.05 1aex n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aex h GLY 55 N 0.00 -0.55 1.88 2.72 0.00 -1.52 0.03 103.07 105.64 1aex h GLY 55 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1aex h GLY 55 CO 0.00 -0.21 -0.05 -2.55 0.00 0.00 0.00 176.54 173.72 1aex h PRO 56 N -0.53 0.15 -0.10 4.80 0.11 -1.87 -1.79 132.00 132.77 1aex h PRO 56 Ca -0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1aex h PRO 56 Cb 0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1aex h PRO 56 CO 0.04 0.22 -0.03 0.93 -0.21 0.00 0.00 178.00 178.95 1aex h GLU 57 N 0.15 0.20 -0.63 1.05 3.07 -1.83 -1.77 114.58 114.81 1aex h GLU 57 Ca 0.04 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1aex h GLU 57 Cb 0.20 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1aex h GLU 57 CO 0.01 0.52 0.23 0.00 -1.40 0.00 0.00 179.01 178.37 1aex h ALA 58 N 0.67 1.21 -0.28 3.43 0.00 -0.73 -0.48 119.26 123.08 1aex h ALA 58 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1aex h ALA 58 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1aex h ALA 58 CO 0.01 0.57 0.11 0.77 0.00 0.00 0.00 179.25 180.71 1aex h SER 59 N 0.92 0.39 -0.59 0.00 0.02 -1.23 -1.86 113.55 111.20 1aex h SER 59 Ca 0.21 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1aex h SER 59 Cb 0.22 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1aex h SER 59 CO -0.01 0.44 0.15 0.00 -1.14 0.00 0.00 176.83 176.27 1aex h ALA 60 N 0.96 0.77 0.32 3.77 0.00 -0.86 -0.58 119.26 123.65 1aex h ALA 60 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1aex h ALA 60 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1aex h ALA 60 CO -0.01 0.47 -0.20 0.35 0.00 0.00 0.00 179.25 179.86 1aex h PHE 61 N 0.85 -0.53 -0.25 0.00 3.04 -0.99 -0.90 116.94 118.16 1aex h PHE 61 Ca 0.19 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.14 1aex h PHE 61 Cb 0.34 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1aex h PHE 61 CO 0.02 -0.32 0.14 1.15 -2.02 0.00 0.00 178.31 177.29 1aex h THR 62 N -0.51 1.02 -0.08 4.41 2.02 -1.23 -1.71 112.91 116.84 1aex h THR 62 Ca -0.03 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1aex h THR 62 Cb 0.42 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1aex h THR 62 CO 0.03 0.05 -0.10 0.50 0.37 0.00 0.00 175.52 176.37 1aex h LYS 63 N 0.29 -0.13 -0.06 6.66 3.64 -0.98 -0.54 116.57 125.44 1aex h LYS 63 Ca 0.10 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1aex h LYS 63 Cb 0.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1aex h LYS 63 CO -0.05 -0.09 -0.11 0.87 -2.27 0.00 0.00 179.45 177.80 1aex h LYS 64 N -0.14 -0.16 -0.82 1.90 6.56 -1.01 -0.13 116.57 122.78 1aex h LYS 64 Ca 0.07 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.69 1aex h LYS 64 Cb 0.23 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 1aex h LYS 64 CO -0.16 -0.10 0.54 1.98 -2.06 0.00 0.00 179.45 179.65 1aex h MET 65 N -0.16 1.04 0.00 3.15 4.05 -0.97 -2.13 114.93 119.91 1aex h MET 65 Ca 0.06 -0.06 -0.16 0.00 -0.28 0.00 0.00 59.70 59.26 1aex h MET 65 Cb 0.25 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 1aex h MET 65 CO -0.15 0.69 -1.15 -0.39 0.23 0.00 0.00 176.91 176.13 1aex h VAL 66 N 1.07 0.71 0.01 -5.77 -1.51 -0.83 -3.29 116.25 106.65 1aex h VAL 66 Ca 0.31 -2.20 -0.20 0.00 -1.23 0.00 0.00 66.70 63.38 1aex h VAL 66 Cb -0.07 2.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1aex h VAL 66 CO -0.08 0.40 -0.93 -0.33 -1.23 0.00 0.00 177.57 175.41 1aex h GLU 67 N 0.00 0.07 -0.01 5.19 5.08 -0.76 -3.24 114.58 120.91 1aex h GLU 67 Ca -0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1aex h GLU 67 Cb 1.57 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1aex h GLU 67 CO 0.06 0.94 -0.04 0.09 -1.00 0.00 0.00 179.01 179.06 1aex n ASN 68 N -3.52 1.41 -4.76 1.42 5.03 -0.82 -4.93 115.26 109.08 1aex n ASN 68 Ca -0.02 -1.39 -0.40 0.00 0.87 0.00 0.00 54.58 53.64 1aex n ASN 68 Cb 0.86 0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 39.60 1aex n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1aex s ALA 69 N -2.09 3.36 -0.17 5.41 0.00 -1.23 -4.93 121.76 122.12 1aex s ALA 69 Ca 0.36 0.82 0.17 0.00 0.00 0.00 0.00 51.96 53.31 1aex s ALA 69 Cb 0.21 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1aex s ALA 69 CO 0.37 -0.09 1.14 0.87 0.00 0.00 0.00 175.76 178.05 1aex h LYS 70 N 3.75 0.00 -3.28 0.00 1.57 -1.91 -3.46 116.57 113.24 1aex h LYS 70 Ca -0.47 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.07 1aex h LYS 70 Cb 1.21 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.20 1aex h LYS 70 CO 0.67 0.33 -0.60 0.15 -0.57 0.00 0.00 179.45 179.42 1aex s LYS 71 N -3.00 0.09 -0.05 3.15 1.02 -1.26 -5.02 119.74 114.67 1aex s LYS 71 Ca 0.01 0.35 0.06 0.00 0.02 0.00 0.00 55.97 56.41 1aex s LYS 71 Cb 0.08 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 1aex s LYS 71 CO 0.77 -0.16 -0.25 0.42 -0.92 0.00 0.00 175.35 175.22 1aex s ILE 72 N 1.09 2.00 0.01 2.17 1.01 -1.26 0.46 121.20 126.69 1aex s ILE 72 Ca -0.08 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1aex s ILE 72 Cb -0.11 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1aex s ILE 72 CO -0.05 0.56 -0.08 -1.61 0.00 0.00 0.00 174.94 173.76 1aex s GLU 73 N -0.23 0.58 -0.03 2.79 2.02 -0.20 -1.90 118.70 121.74 1aex s GLU 73 Ca -0.01 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1aex s GLU 73 Cb -0.13 -0.53 -0.03 0.00 0.10 0.00 0.00 34.13 33.54 1aex s GLU 73 CO 0.03 0.14 0.00 0.14 0.02 0.00 0.00 175.26 175.58 1aex s VAL 74 N -0.46 4.21 -0.26 2.63 -7.23 0.69 -0.46 120.40 119.52 1aex s VAL 74 Ca 0.00 -0.47 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1aex s VAL 74 Cb -0.05 -2.84 0.09 0.00 0.56 0.00 0.00 36.38 34.14 1aex s VAL 74 CO 0.00 0.46 0.09 -0.70 -0.31 0.00 0.00 175.10 174.65 1aex s GLU 75 N -1.31 0.46 0.61 4.82 2.12 0.74 -1.06 118.70 125.08 1aex s GLU 75 Ca 0.17 -0.64 -0.16 0.00 0.36 0.00 0.00 54.97 54.71 1aex s GLU 75 Cb -0.11 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.53 1aex s GLU 75 CO 0.07 -0.89 1.08 -0.06 -0.54 0.00 0.00 175.26 174.93 1aex s PHE 76 N 1.89 2.84 0.00 5.30 0.08 -1.26 -0.69 117.98 126.14 1aex s PHE 76 Ca 0.06 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1aex s PHE 76 Cb -0.17 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 1aex s PHE 76 CO -0.24 -1.33 0.00 -3.47 -0.10 0.00 0.00 175.22 170.08 1aex n ASP 77 N -2.05 0.00 -0.74 1.36 -0.08 -1.26 -4.62 116.55 109.15 1aex n ASP 77 Ca 0.10 -0.27 0.11 0.00 -1.51 0.00 0.00 54.79 53.22 1aex n ASP 77 Cb 0.52 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.31 1aex n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1aex n LYS 78 N -0.27 1.99 0.00 -0.67 2.85 -1.26 -4.90 118.16 115.89 1aex n LYS 78 Ca 0.00 -1.47 0.00 0.00 -1.05 0.00 0.00 58.31 55.79 1aex n LYS 78 Cb 0.00 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 1aex n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1aex n GLY 79 N 1.25 3.25 3.76 2.58 0.00 -1.26 -4.95 105.19 109.83 1aex n GLY 79 Ca 0.17 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 1aex n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aex s GLN 80 N 4.19 3.68 0.00 1.61 0.00 -1.26 -4.95 119.66 122.93 1aex s GLN 80 Ca 0.00 2.01 0.24 0.00 -0.00 0.00 0.00 55.36 57.61 1aex s GLN 80 Cb 0.00 -2.49 0.23 0.00 0.00 0.00 0.00 33.01 30.75 1aex s GLN 80 CO 0.00 -0.68 1.28 0.54 0.00 0.00 0.00 175.29 176.43 1aex n ARG 81 N -0.40 2.33 -3.94 9.60 1.74 -1.26 -4.82 116.66 119.90 1aex n ARG 81 Ca 0.07 -1.94 -0.09 0.00 -0.77 0.00 0.00 57.85 55.11 1aex n ARG 81 Cb 0.46 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 1aex n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1aex s THR 82 N -1.96 0.13 0.33 0.55 -4.23 -1.26 -0.48 115.64 108.73 1aex s THR 82 Ca 0.29 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1aex s THR 82 Cb 0.20 -0.80 0.06 0.00 1.34 0.00 0.00 72.50 73.30 1aex s THR 82 CO 0.30 -0.60 0.45 -0.90 -0.54 0.00 0.00 174.62 173.33 1aex n ASP 83 N 0.91 0.90 0.31 3.99 5.68 0.05 -4.88 116.55 123.51 1aex n ASP 83 Ca -0.20 -1.69 0.19 0.00 -0.50 0.00 0.00 54.79 52.60 1aex n ASP 83 Cb 0.58 -0.27 1.02 0.00 -1.14 0.00 0.00 41.12 41.32 1aex n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1aex h LYS 84 N 0.00 0.00 -0.42 0.11 2.10 -2.03 -1.43 116.57 114.91 1aex h LYS 84 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1aex h LYS 84 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1aex h LYS 84 CO 0.19 0.02 0.00 0.66 -2.00 0.00 0.00 179.45 178.32 1aex n TYR 85 N -3.28 0.55 -1.06 0.07 4.01 -1.26 -4.91 117.16 111.28 1aex n TYR 85 Ca -0.02 -0.28 -0.02 0.00 -0.16 0.00 0.00 57.90 57.42 1aex n TYR 85 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1aex n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aex n GLY 86 N 1.22 0.56 3.79 2.72 0.00 -0.54 -5.02 105.19 107.93 1aex n GLY 86 Ca 0.15 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1aex n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aex s ARG 87 N -1.39 4.41 0.25 1.61 0.52 -1.26 -4.77 118.95 118.32 1aex s ARG 87 Ca 0.00 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.89 1aex s ARG 87 Cb 0.00 -3.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 1aex s ARG 87 CO 0.00 0.60 1.19 0.20 0.02 0.00 0.00 175.30 177.30 1aex s GLY 88 N -1.11 2.87 -0.32 -3.53 0.00 -0.17 -0.77 107.32 104.30 1aex s GLY 88 Ca 0.33 0.99 -0.08 0.00 0.00 0.00 0.00 44.72 45.97 1aex s GLY 88 CO 0.23 1.74 0.11 1.08 0.00 0.00 0.00 173.10 176.27 1aex s LEU 89 N -0.97 4.11 0.28 0.66 1.43 0.37 -0.93 118.68 123.63 1aex s LEU 89 Ca 0.49 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 1aex s LEU 89 Cb -0.34 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 43.98 1aex s LEU 89 CO 0.41 -0.25 0.64 0.00 0.23 0.00 0.00 176.35 177.38 1aex s ALA 90 N 1.50 -0.78 -0.19 4.21 0.00 -1.17 -4.33 121.76 121.00 1aex s ALA 90 Ca 0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1aex s ALA 90 Cb -0.18 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1aex s ALA 90 CO 0.04 -0.97 0.22 0.71 0.00 0.00 0.00 175.76 175.76 1aex s TYR 91 N -3.74 3.42 -0.11 0.00 2.02 0.13 -1.31 117.35 117.76 1aex s TYR 91 Ca 0.16 0.45 0.02 0.00 -0.37 0.00 0.00 57.07 57.33 1aex s TYR 91 Cb -0.04 -2.27 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 1aex s TYR 91 CO 0.09 0.22 -0.17 0.42 -1.57 0.00 0.00 175.55 174.54 1aex s ILE 92 N 0.55 2.70 -0.13 2.71 1.01 -1.26 -0.18 121.20 126.59 1aex s ILE 92 Ca 0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 1aex s ILE 92 Cb -0.12 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1aex s ILE 92 CO 0.02 0.54 -0.08 -0.31 0.00 0.00 0.00 174.94 175.11 1aex s TYR 93 N 0.23 2.93 -0.33 3.97 1.51 0.39 -0.77 117.35 125.28 1aex s TYR 93 Ca -0.11 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.52 1aex s TYR 93 Cb -0.16 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.86 1aex s TYR 93 CO 0.06 -0.05 0.07 0.00 -1.11 0.00 0.00 175.55 174.53 1aex s ALA 94 N 0.18 2.97 -1.42 3.71 0.00 0.81 -1.03 121.76 126.99 1aex s ALA 94 Ca -0.04 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 1aex s ALA 94 Cb -0.14 -2.16 0.04 0.00 0.00 0.00 0.00 23.12 20.85 1aex s ALA 94 CO 0.04 -1.33 0.75 -0.25 0.00 0.00 0.00 175.76 174.97 1aex n ASP 95 N 4.74 -2.32 0.00 0.00 8.00 0.17 -0.59 116.55 126.56 1aex n ASP 95 Ca -0.12 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1aex n ASP 95 Cb 0.44 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 1aex n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aex n GLY 96 N -1.67 1.03 3.49 0.44 0.00 -1.26 -5.01 105.19 102.20 1aex n GLY 96 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1aex n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aex s LYS 97 N -0.04 3.70 -0.21 1.61 1.02 0.24 -5.03 119.74 121.03 1aex s LYS 97 Ca 0.00 -0.48 -0.29 0.00 0.02 0.00 0.00 55.97 55.22 1aex s LYS 97 Cb 0.00 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 1aex s LYS 97 CO 0.00 0.06 1.53 1.41 -0.92 0.00 0.00 175.35 177.43 1aex s MET 98 N 0.89 3.91 0.28 1.68 1.75 -1.26 -0.13 119.30 126.42 1aex s MET 98 Ca 0.02 1.65 -0.03 0.00 -1.25 0.00 0.00 55.69 56.08 1aex s MET 98 Cb -0.14 -3.97 0.37 0.00 2.84 0.00 0.00 34.83 33.93 1aex s MET 98 CO 0.02 -1.15 1.92 0.28 -0.65 0.00 0.00 175.02 175.45 1aex h VAL 99 N 5.97 1.23 -0.11 10.11 2.07 -1.33 -1.61 116.25 132.58 1aex h VAL 99 Ca -0.32 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1aex h VAL 99 Cb 1.14 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1aex h VAL 99 CO 1.00 0.24 -0.14 0.78 0.02 0.00 0.00 177.57 179.47 1aex h ASN 100 N 1.13 -0.43 -0.39 0.57 4.21 -1.91 -1.71 115.58 117.06 1aex h ASN 100 Ca 0.30 0.08 -0.06 0.00 1.21 0.00 0.00 56.30 57.83 1aex h ASN 100 Cb -0.04 0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1aex h ASN 100 CO -0.06 -0.19 0.03 -0.08 -1.29 0.00 0.00 177.43 175.85 1aex h GLU 101 N -0.18 0.67 -0.95 0.81 4.22 -1.88 -2.73 114.58 114.53 1aex h GLU 101 Ca 0.09 -0.20 0.14 0.00 0.08 0.00 0.00 59.36 59.46 1aex h GLU 101 Cb 0.30 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1aex h GLU 101 CO -0.22 0.75 0.57 0.00 -2.18 0.00 0.00 179.01 177.93 1aex h ALA 102 N 0.90 1.46 -0.22 2.92 0.00 -0.94 0.13 119.26 123.50 1aex h ALA 102 Ca 0.11 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1aex h ALA 102 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1aex h ALA 102 CO 0.01 0.10 -0.34 -0.07 0.00 0.00 0.00 179.25 178.96 1aex h LEU 103 N 0.86 0.68 -0.39 0.00 3.38 -1.23 -2.90 115.31 115.72 1aex h LEU 103 Ca 0.49 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1aex h LEU 103 Cb 0.58 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1aex h LEU 103 CO -0.30 1.07 0.11 0.58 0.09 0.00 0.00 178.44 179.98 1aex h VAL 104 N 0.32 1.22 0.00 1.22 2.07 -1.06 -1.05 116.25 118.97 1aex h VAL 104 Ca 0.02 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1aex h VAL 104 Cb 0.92 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1aex h VAL 104 CO 0.08 0.26 -0.03 -0.09 0.02 0.00 0.00 177.57 177.81 1aex h ARG 105 N 0.48 0.00 -0.00 1.57 9.65 -0.78 -1.39 114.38 123.91 1aex h ARG 105 Ca 0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 1aex h ARG 105 Cb 0.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1aex h ARG 105 CO -0.00 0.03 -0.29 1.04 2.80 0.00 0.00 179.97 183.54 1aex n GLN 106 N -4.42 0.36 -1.70 0.20 1.13 -1.10 -4.33 117.38 107.52 1aex n GLN 106 Ca -0.03 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 1aex n GLN 106 Cb 0.11 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1aex n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aex n GLY 107 N 1.41 0.41 0.80 1.08 0.00 -0.52 -4.29 105.19 104.09 1aex n GLY 107 Ca 0.09 -0.91 0.09 0.00 0.00 0.00 0.00 46.02 45.29 1aex n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aex n LEU 108 N 0.00 2.81 -3.45 0.99 4.77 -0.42 -0.76 117.00 120.94 1aex n LEU 108 Ca 0.00 -1.36 -0.14 0.00 -0.03 0.00 0.00 56.01 54.48 1aex n LEU 108 Cb 0.36 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1aex n LEU 108 CO 0.00 0.59 0.41 0.00 -1.33 0.00 0.00 177.39 177.06 1aex s ALA 109 N -1.29 -1.65 0.15 -1.18 0.00 -1.20 -4.37 121.76 112.22 1aex s ALA 109 Ca 0.26 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.02 1aex s ALA 109 Cb 0.16 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1aex s ALA 109 CO 0.23 -0.66 -0.13 0.15 0.00 0.00 0.00 175.76 175.35 1aex s LYS 110 N -3.06 1.97 0.06 0.00 1.02 -0.94 -4.50 119.74 114.28 1aex s LYS 110 Ca -0.02 -1.21 -0.31 0.00 0.02 0.00 0.00 55.97 54.45 1aex s LYS 110 Cb -0.01 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1aex s LYS 110 CO -0.07 0.46 1.26 0.08 -0.92 0.00 0.00 175.35 176.16 1aex s VAL 111 N -1.45 3.85 0.32 3.17 1.01 -1.26 -1.09 120.40 124.96 1aex s VAL 111 Ca 0.22 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 1aex s VAL 111 Cb -0.10 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1aex s VAL 111 CO 0.13 0.09 0.62 0.00 0.00 0.00 0.00 175.10 175.94 1aex s ALA 112 N 1.26 -0.31 -1.45 5.51 0.00 -0.53 -4.87 121.76 121.37 1aex s ALA 112 Ca 0.60 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.63 1aex s ALA 112 Cb -0.31 0.93 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1aex s ALA 112 CO 0.29 -0.91 0.43 0.66 0.00 0.00 0.00 175.76 176.23 1aex n TYR 113 N -0.49 -1.64 -2.62 0.00 4.01 -1.26 -3.41 117.16 111.75 1aex n TYR 113 Ca -0.04 0.74 -0.41 0.00 -0.16 0.00 0.00 57.90 58.03 1aex n TYR 113 Cb 0.61 -3.60 -0.03 0.00 -0.31 0.00 0.00 39.34 36.01 1aex n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1aex s VAL 114 N -3.91 3.94 -0.28 -0.72 1.01 -1.26 -4.53 120.40 114.65 1aex s VAL 114 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1aex s VAL 114 Cb -0.05 -4.92 0.02 0.00 0.00 0.00 0.00 36.38 31.44 1aex s VAL 114 CO 0.90 -1.80 0.00 -0.31 0.00 0.00 0.00 175.10 173.89 1aex s TYR 115 N 5.06 3.13 0.73 5.22 2.02 -1.26 -5.07 117.35 127.18 1aex s TYR 115 Ca 0.36 -1.41 -0.11 0.00 -0.37 0.00 0.00 57.07 55.54 1aex s TYR 115 Cb -0.07 -2.14 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 1aex s TYR 115 CO 0.05 -0.69 1.07 -1.59 -1.57 0.00 0.00 175.55 172.82 1aex s LYS 116 N 1.37 2.62 -0.02 -0.62 -2.85 -1.26 -1.35 119.74 117.64 1aex s LYS 116 Ca -0.00 0.93 0.02 0.00 -1.00 0.00 0.00 55.97 55.92 1aex s LYS 116 Cb -0.17 -1.96 0.10 0.00 -2.06 0.00 0.00 37.83 33.74 1aex s LYS 116 CO -0.01 -1.32 0.80 -0.35 0.10 0.00 0.00 175.35 174.56 1aex n PRO 117 N -3.27 1.41 -1.69 1.78 -0.04 -1.26 -4.96 135.00 126.96 1aex n PRO 117 Ca 0.08 -0.39 -0.38 0.00 -0.04 0.00 0.00 63.50 62.77 1aex n PRO 117 Cb 0.54 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1aex n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1aex n ASN 118 N -0.02 8.18 -1.11 3.54 4.13 -0.45 -4.27 115.26 125.26 1aex n ASN 118 Ca 0.03 -2.92 0.01 0.00 1.68 0.00 0.00 54.58 53.39 1aex n ASN 118 Cb 0.28 -1.43 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 1aex n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1aex n ASN 119 N 2.38 0.41 -0.29 6.41 0.23 -1.26 -4.51 115.26 118.63 1aex n ASN 119 Ca 0.67 -1.94 0.21 0.00 -0.53 0.00 0.00 54.58 53.00 1aex n ASN 119 Cb 0.27 -0.18 0.51 0.00 -2.08 0.00 0.00 39.78 38.31 1aex n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1aex h THR 120 N 6.62 0.59 -0.65 5.53 2.02 -1.97 -0.36 112.91 124.68 1aex h THR 120 Ca -0.20 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1aex h THR 120 Cb 1.65 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1aex h THR 120 CO 0.02 0.07 0.00 1.41 0.37 0.00 0.00 175.52 177.39 1aex n HIS 121 N -4.57 1.12 -0.20 3.16 8.25 -1.26 -4.65 115.22 117.08 1aex n HIS 121 Ca 0.23 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1aex n HIS 121 Cb 0.81 -0.10 0.11 0.00 1.12 0.00 0.00 29.99 31.93 1aex n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1aex h GLU 122 N 3.91 0.31 -0.59 -0.41 4.81 -1.43 -1.73 114.58 119.44 1aex h GLU 122 Ca 0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1aex h GLU 122 Cb 1.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1aex h GLU 122 CO 0.09 0.21 -0.04 1.96 -0.73 0.00 0.00 179.01 180.50 1aex h GLN 123 N 0.32 1.07 0.10 1.92 1.08 -1.82 -0.63 115.11 117.14 1aex h GLN 123 Ca 0.31 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1aex h GLN 123 Cb 0.43 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1aex h GLN 123 CO -0.36 1.06 -0.05 1.25 -0.95 0.00 0.00 178.83 179.79 1aex h HIS 124 N 0.96 -0.12 -0.93 2.96 -0.00 -1.79 -1.38 115.15 114.85 1aex h HIS 124 Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1aex h HIS 124 Cb 0.60 0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.01 1aex h HIS 124 CO 0.04 -0.05 0.59 -0.07 -0.00 0.00 0.00 177.93 178.44 1aex h LEU 125 N -0.16 1.09 -0.45 0.26 3.38 -1.19 -2.14 115.31 116.11 1aex h LEU 125 Ca -0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1aex h LEU 125 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1aex h LEU 125 CO 0.02 0.81 0.04 0.03 0.09 0.00 0.00 178.44 179.43 1aex h ARG 126 N 1.27 0.76 -0.98 1.13 3.08 -0.93 -0.93 114.38 117.77 1aex h ARG 126 Ca 0.34 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 60.26 1aex h ARG 126 Cb -0.11 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 29.79 1aex h ARG 126 CO -0.07 0.80 0.62 -0.22 -1.07 0.00 0.00 179.97 180.03 1aex h LYS 127 N 0.62 1.02 -0.14 0.04 3.64 -0.76 0.34 116.57 121.33 1aex h LYS 127 Ca 0.13 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1aex h LYS 127 Cb 0.43 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1aex h LYS 127 CO 0.01 0.68 -0.61 0.77 -2.27 0.00 0.00 179.45 178.03 1aex h SER 128 N 1.06 0.54 -0.33 4.20 0.02 -1.09 -2.87 113.55 115.08 1aex h SER 128 Ca 0.46 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1aex h SER 128 Cb 0.32 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1aex h SER 128 CO -0.22 1.02 0.07 -0.08 -1.14 0.00 0.00 176.83 176.49 1aex h GLU 129 N 0.35 0.63 -0.36 3.45 4.81 0.34 -1.26 114.58 122.54 1aex h GLU 129 Ca -0.01 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1aex h GLU 129 Cb 1.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1aex h GLU 129 CO 0.11 0.60 -0.13 0.00 -0.73 0.00 0.00 179.01 178.86 1aex h ALA 130 N 1.48 1.11 -0.12 2.92 0.00 -0.83 -0.19 119.26 123.63 1aex h ALA 130 Ca 0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1aex h ALA 130 Cb 0.27 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1aex h ALA 130 CO 0.00 0.55 -0.48 0.37 0.00 0.00 0.00 179.25 179.69 1aex h GLN 131 N 0.58 0.53 -0.90 0.00 5.75 -1.20 -0.95 115.11 118.91 1aex h GLN 131 Ca 0.10 -0.42 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1aex h GLN 131 Cb 0.55 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 1aex h GLN 131 CO 0.03 1.04 0.49 0.00 -2.65 0.00 0.00 178.83 177.75 1aex h ALA 132 N 0.49 1.16 0.21 3.38 0.00 -1.12 -1.92 119.26 121.45 1aex h ALA 132 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1aex h ALA 132 Cb 1.12 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1aex h ALA 132 CO 0.10 0.67 -0.10 -0.22 0.00 0.00 0.00 179.25 179.70 1aex h LYS 133 N 1.26 -0.28 0.00 0.00 3.64 -0.93 -0.97 116.57 119.30 1aex h LYS 133 Ca 0.32 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1aex h LYS 133 Cb 0.03 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1aex h LYS 133 CO -0.05 -0.07 0.00 1.57 -2.27 0.00 0.00 179.45 178.63 1aex h LYS 134 N -0.44 0.00 -0.37 1.90 2.10 -1.03 0.16 116.57 118.88 1aex h LYS 134 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1aex h LYS 134 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1aex h LYS 134 CO 0.05 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.89 1aex n GLU 135 N -2.37 2.51 -3.93 0.07 1.02 -0.74 -4.98 120.64 112.22 1aex n GLU 135 Ca 0.01 -2.28 -0.26 0.00 -0.02 0.00 0.00 57.16 54.61 1aex n GLU 135 Cb 0.17 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1aex n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1aex n LYS 136 N 1.49 -3.63 -3.03 3.49 4.76 0.56 -4.93 118.16 116.88 1aex n LYS 136 Ca 0.19 0.44 -0.40 0.00 -2.87 0.00 0.00 58.31 55.68 1aex n LYS 136 Cb 0.61 -4.71 -0.05 0.00 -1.84 0.00 0.00 35.03 29.04 1aex n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1aex s LEU 137 N -6.96 4.41 0.00 -0.35 1.43 -0.47 -3.37 118.68 113.38 1aex s LEU 137 Ca 0.09 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1aex s LEU 137 Cb -0.05 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1aex s LEU 137 CO 0.88 -0.00 0.00 0.59 0.23 0.00 0.00 176.35 178.04 1aex n ASN 138 N 3.02 0.00 -0.16 2.29 3.02 -1.26 0.18 115.26 122.36 1aex n ASN 138 Ca -0.03 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.81 1aex n ASN 138 Cb 0.51 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.38 1aex n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1aex h ILE 139 N 0.00 0.34 -0.33 2.41 2.04 -1.26 0.11 117.51 120.83 1aex h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1aex h ILE 139 Cb 0.00 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1aex h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1aex n TRP 140 N -3.88 0.42 1.52 1.37 7.02 0.13 -5.13 117.44 118.89 1aex n TRP 140 Ca 0.19 -0.21 0.14 0.00 -1.02 0.00 0.00 57.50 56.60 1aex n TRP 140 Cb 1.06 0.00 0.54 0.00 -2.42 0.00 0.00 31.31 30.50 1aex n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54