#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zua n GLU 3 N 0.00 2.62 -0.46 -1.46 0.28 -1.26 -4.56 120.64 115.80 2zua n GLU 3 Ca 0.00 -3.02 0.06 0.00 -0.16 0.00 0.00 57.16 54.03 2zua n GLU 3 Cb 0.00 -1.92 0.22 0.00 1.43 0.00 0.00 31.44 31.17 2zua n GLU 3 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2zua n HIS 4 N -0.72 0.77 -1.63 -1.84 8.25 -1.26 -3.44 115.22 115.35 2zua n HIS 4 Ca 0.32 -1.09 -0.43 0.00 -0.26 0.00 0.00 57.72 56.26 2zua n HIS 4 Cb 1.09 -0.32 -0.00 0.00 1.12 0.00 0.00 29.99 31.87 2zua n HIS 4 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2zua n GLU 5 N -0.86 1.58 -4.60 -0.41 2.13 -1.22 -4.74 120.64 112.51 2zua n GLU 5 Ca 0.23 0.56 -0.25 0.00 0.66 0.00 0.00 57.16 58.36 2zua n GLU 5 Cb 0.87 -2.05 -0.14 0.00 0.27 0.00 0.00 31.44 30.39 2zua n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2zua s ARG 6 N -1.80 1.35 0.08 5.31 0.52 -1.26 -2.21 118.95 120.93 2zua s ARG 6 Ca 0.59 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 2zua s ARG 6 Cb -0.61 -1.46 -0.03 0.00 0.52 0.00 0.00 34.95 33.36 2zua s ARG 6 CO 0.60 0.37 -0.09 -0.08 0.02 0.00 0.00 175.30 176.12 2zua s THR 7 N -0.83 0.75 -0.14 0.02 -1.32 -0.94 -4.62 115.64 108.56 2zua s THR 7 Ca 0.07 -1.52 -0.13 0.00 -1.21 0.00 0.00 61.69 58.89 2zua s THR 7 Cb -0.09 -1.19 -0.05 0.00 -1.51 0.00 0.00 72.50 69.67 2zua s THR 7 CO 0.02 -0.57 0.30 0.12 -2.21 0.00 0.00 174.62 172.28 2zua s PHE 8 N -2.36 3.50 -0.01 9.09 5.36 -1.26 -1.67 117.98 130.64 2zua s PHE 8 Ca 0.02 0.64 0.01 0.00 -0.96 0.00 0.00 56.93 56.64 2zua s PHE 8 Cb -0.03 -2.31 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 2zua s PHE 8 CO -0.01 0.32 -0.03 0.08 -1.46 0.00 0.00 175.22 174.12 2zua s VAL 9 N 0.18 0.31 -0.02 3.12 1.01 -0.43 -1.46 120.40 123.10 2zua s VAL 9 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2zua s VAL 9 Cb -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2zua s VAL 9 CO 0.05 0.10 0.04 0.00 0.00 0.00 0.00 175.10 175.30 2zua s MET 10 N 0.13 0.01 -0.57 2.72 0.23 0.25 -0.33 119.30 121.75 2zua s MET 10 Ca -0.01 0.13 -0.28 0.00 -1.03 0.00 0.00 55.69 54.50 2zua s MET 10 Cb -0.04 -0.10 0.01 0.00 -1.53 0.00 0.00 34.83 33.17 2zua s MET 10 CO -0.00 -0.08 1.47 0.08 -2.03 0.00 0.00 175.02 174.45 2zua s VAL 11 N 0.52 3.73 1.12 5.16 1.01 0.05 -1.35 120.40 130.63 2zua s VAL 11 Ca -0.04 0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.41 2zua s VAL 11 Cb -0.06 -4.39 0.24 0.00 0.00 0.00 0.00 36.38 32.17 2zua s VAL 11 CO -0.02 -1.16 0.92 0.29 0.00 0.00 0.00 175.10 175.14 2zua n LYS 12 N 8.75 -1.93 0.22 2.72 5.02 0.82 -2.13 118.16 131.62 2zua n LYS 12 Ca 0.13 -0.53 0.16 0.00 -2.02 0.00 0.00 58.31 56.05 2zua n LYS 12 Cb 0.49 -2.15 0.83 0.00 -0.02 0.00 0.00 35.03 34.18 2zua n LYS 12 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2zua h PRO 13 N -2.45 0.00 -0.23 1.97 0.11 -1.84 -1.75 132.00 127.82 2zua h PRO 13 Ca -0.57 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.37 2zua h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2zua h PRO 13 CO 0.46 0.00 -0.54 0.38 -0.21 0.00 0.00 178.00 178.09 2zua h ASP 14 N 0.00 0.75 -0.00 -2.05 2.03 -1.89 -1.89 116.42 113.37 2zua h ASP 14 Ca 0.07 -0.40 -0.17 0.00 -0.73 0.00 0.00 57.03 55.79 2zua h ASP 14 Cb 0.35 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 2zua h ASP 14 CO -0.00 1.14 -0.60 1.23 -1.03 0.00 0.00 179.24 179.98 2zua h GLY 15 N 0.93 0.67 0.91 7.15 0.00 -1.50 -1.89 103.07 109.34 2zua h GLY 15 Ca 0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 2zua h GLY 15 CO 0.11 0.73 -0.14 -2.08 0.00 0.00 0.00 176.54 175.15 2zua h VAL 16 N 0.45 1.29 -0.51 4.60 2.07 -1.42 -2.40 116.25 120.33 2zua h VAL 16 Ca -0.00 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 2zua h VAL 16 Cb 1.17 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2zua h VAL 16 CO 0.12 0.40 0.09 1.56 0.02 0.00 0.00 177.57 179.75 2zua h GLN 17 N 0.37 0.80 -0.05 1.57 1.08 -1.34 -2.91 115.11 114.62 2zua h GLN 17 Ca 0.07 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2zua h GLN 17 Cb 0.66 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2zua h GLN 17 CO 0.04 0.74 0.00 0.54 -0.95 0.00 0.00 178.83 179.21 2zua n ARG 18 N -4.26 1.60 -2.25 1.46 1.74 -0.71 -4.96 116.66 109.27 2zua n ARG 18 Ca 0.03 -0.88 -0.06 0.00 -0.77 0.00 0.00 57.85 56.18 2zua n ARG 18 Cb 0.24 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.26 2zua n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zua n GLY 19 N 1.14 -0.05 0.00 -0.13 0.00 -0.96 -4.99 105.19 100.19 2zua n GLY 19 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2zua n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zua n LEU 20 N -2.17 0.97 -0.11 0.99 4.77 -0.95 -4.81 117.00 115.70 2zua n LEU 20 Ca -0.03 -0.97 -0.05 0.00 -0.03 0.00 0.00 56.01 54.93 2zua n LEU 20 Cb 0.55 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 2zua n LEU 20 CO 0.25 0.24 0.88 0.40 -1.33 0.00 0.00 177.39 177.83 2zua h ILE 21 N 0.77 0.76 -0.45 -0.08 2.04 -1.90 -0.95 117.51 117.70 2zua h ILE 21 Ca 0.00 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2zua h ILE 21 Cb 0.46 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2zua h ILE 21 CO 0.00 0.03 -0.20 1.23 0.00 0.00 0.00 178.15 179.20 2zua h GLY 22 N 0.15 0.98 1.36 5.37 0.00 -1.97 -0.85 103.07 108.11 2zua h GLY 22 Ca 0.18 -0.84 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 2zua h GLY 22 CO -0.27 0.77 0.09 -0.55 0.00 0.00 0.00 176.54 176.57 2zua h ASP 23 N 0.79 0.75 0.18 0.19 3.32 -1.80 -2.13 116.42 117.73 2zua h ASP 23 Ca 0.11 -0.15 -0.25 0.00 0.02 0.00 0.00 57.03 56.77 2zua h ASP 23 Cb 0.75 -0.20 0.03 0.00 0.22 0.00 0.00 39.33 40.13 2zua h ASP 23 CO 0.06 0.77 -1.07 0.40 -1.72 0.00 0.00 179.24 177.67 2zua h ILE 24 N 0.77 1.42 -0.93 0.35 2.04 -0.99 -3.03 117.51 117.13 2zua h ILE 24 Ca 0.16 -2.59 -0.00 0.00 1.00 0.00 0.00 64.86 63.43 2zua h ILE 24 Cb 0.34 3.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.50 2zua h ILE 24 CO 0.00 0.75 0.57 0.58 0.00 0.00 0.00 178.15 180.05 2zua h VAL 25 N -0.16 1.25 -0.61 1.67 2.07 -1.14 -2.62 116.25 116.70 2zua h VAL 25 Ca -0.19 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 66.82 2zua h VAL 25 Cb 1.85 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2zua h VAL 25 CO 0.20 0.26 0.38 0.28 0.02 0.00 0.00 177.57 178.72 2zua h SER 26 N 1.28 0.62 -0.75 0.57 0.02 -1.43 0.11 113.55 113.97 2zua h SER 26 Ca 0.33 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 2zua h SER 26 Cb -0.06 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 2zua h SER 26 CO -0.06 0.43 0.47 0.03 -1.14 0.00 0.00 176.83 176.56 2zua h ARG 27 N 0.75 0.87 -0.30 3.45 3.08 -1.34 1.37 114.38 122.26 2zua h ARG 27 Ca 0.25 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 2zua h ARG 27 Cb 0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2zua h ARG 27 CO -0.10 0.58 -0.02 0.74 -1.07 0.00 0.00 179.97 180.10 2zua h PHE 28 N 0.90 0.59 0.02 3.04 0.05 -1.26 -0.75 116.94 119.53 2zua h PHE 28 Ca 0.30 -0.11 -0.00 0.00 3.82 0.00 0.00 57.97 61.99 2zua h PHE 28 Cb 0.05 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 37.85 2zua h PHE 28 CO -0.04 0.69 -0.01 0.93 -0.18 0.00 0.00 178.31 179.70 2zua h GLU 29 N 0.32 -0.03 -0.85 1.51 5.08 -0.29 -0.78 114.58 119.54 2zua h GLU 29 Ca 0.08 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.63 2zua h GLU 29 Cb 0.47 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 2zua h GLU 29 CO 0.02 -0.01 0.56 -0.44 -1.00 0.00 0.00 179.01 178.14 2zua h ASP 30 N -0.03 0.40 0.68 1.42 5.19 0.19 0.12 116.42 124.38 2zua h ASP 30 Ca -0.00 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 2zua h ASP 30 Cb 0.02 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2zua h ASP 30 CO 0.00 0.18 -0.21 -0.09 -3.12 0.00 0.00 179.24 176.00 2zua h ARG 31 N 0.41 0.00 0.00 3.56 9.65 -0.76 -3.46 114.38 123.78 2zua h ARG 31 Ca 0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.31 2zua h ARG 31 Cb 1.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 2zua h ARG 31 CO -0.15 0.21 0.00 0.41 2.80 0.00 0.00 179.97 183.24 2zua n GLY 32 N -0.17 0.73 3.77 2.80 0.00 0.03 -5.06 105.19 107.28 2zua n GLY 32 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2zua n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2zua s LEU 33 N 0.00 4.34 -0.21 0.99 1.43 -0.33 -4.93 118.68 119.97 2zua s LEU 33 Ca 0.00 2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 55.66 2zua s LEU 33 Cb 0.00 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2zua s LEU 33 CO 0.00 -0.65 0.09 -0.75 0.23 0.00 0.00 176.35 175.28 2zua s LYS 34 N -1.98 3.97 0.06 1.70 2.20 0.67 -4.26 119.74 122.10 2zua s LYS 34 Ca 0.52 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 2zua s LYS 34 Cb -0.38 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 2zua s LYS 34 CO 0.50 0.16 1.06 1.41 -0.36 0.00 0.00 175.35 178.11 2zua s MET 35 N 0.72 4.55 0.00 4.03 -2.45 -1.26 0.11 119.30 124.99 2zua s MET 35 Ca 0.05 1.56 0.00 0.00 -1.25 0.00 0.00 55.69 56.05 2zua s MET 35 Cb -0.13 -3.39 0.00 0.00 1.25 0.00 0.00 34.83 32.56 2zua s MET 35 CO 0.02 -0.05 0.06 1.33 1.05 0.00 0.00 175.02 177.43 2zua n VAL 36 N 3.54 0.00 -3.74 10.11 0.24 -0.95 -4.92 118.33 122.61 2zua n VAL 36 Ca 0.06 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 2zua n VAL 36 Cb 0.49 1.24 -0.10 0.00 -1.47 0.00 0.00 33.84 34.00 2zua n VAL 36 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2zua s GLY 37 N -0.22 -0.28 -0.26 7.63 0.00 -1.21 -0.72 107.32 112.27 2zua s GLY 37 Ca 0.00 1.09 -0.10 0.00 0.00 0.00 0.00 44.72 45.71 2zua s GLY 37 CO 0.00 0.98 0.58 -0.32 0.00 0.00 0.00 173.10 174.34 2zua s GLY 38 N 0.32 -0.58 -0.20 0.20 0.00 -1.26 -0.89 107.32 104.91 2zua s GLY 38 Ca -0.01 2.07 -0.04 0.00 0.00 0.00 0.00 44.72 46.75 2zua s GLY 38 CO -0.01 2.63 0.29 1.25 0.00 0.00 0.00 173.10 177.26 2zua s LYS 39 N 2.42 0.24 -0.18 2.90 2.20 0.13 -5.00 119.74 122.45 2zua s LYS 39 Ca -0.06 0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 55.74 2zua s LYS 39 Cb -0.10 -0.68 -0.01 0.00 -1.51 0.00 0.00 37.83 35.53 2zua s LYS 39 CO -0.17 -0.56 0.90 0.12 -0.36 0.00 0.00 175.35 175.27 2zua s PHE 40 N 2.43 3.41 0.22 4.03 5.36 -1.26 -1.40 117.98 130.77 2zua s PHE 40 Ca 0.07 1.33 -0.19 0.00 -0.96 0.00 0.00 56.93 57.19 2zua s PHE 40 Cb -0.15 -3.09 0.03 0.00 -0.34 0.00 0.00 43.02 39.47 2zua s PHE 40 CO -0.13 -0.30 0.59 0.00 -1.46 0.00 0.00 175.22 173.92 2zua s MET 41 N 2.41 1.50 -0.27 10.12 0.23 -1.10 -5.03 119.30 127.17 2zua s MET 41 Ca 0.41 -0.88 -0.06 0.00 -1.03 0.00 0.00 55.69 54.12 2zua s MET 41 Cb -0.16 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 33.69 2zua s MET 41 CO 0.11 -0.66 0.05 -1.14 -2.03 0.00 0.00 175.02 171.35 2zua s GLN 42 N -3.88 3.26 0.08 3.16 2.00 -1.26 -1.21 119.66 121.80 2zua s GLN 42 Ca 0.10 -0.73 -0.31 0.00 -2.00 0.00 0.00 55.36 52.42 2zua s GLN 42 Cb -0.02 -3.27 -0.08 0.00 0.80 0.00 0.00 33.01 30.44 2zua s GLN 42 CO -0.00 -0.33 1.49 0.42 -0.50 0.00 0.00 175.29 176.37 2zua s ILE 43 N 1.51 3.25 0.68 -2.34 1.01 -1.26 -5.01 121.20 119.04 2zua s ILE 43 Ca 0.04 0.79 -0.09 0.00 0.00 0.00 0.00 60.65 61.39 2zua s ILE 43 Cb -0.16 -3.50 0.03 0.00 0.01 0.00 0.00 42.46 38.83 2zua s ILE 43 CO 0.01 0.02 1.03 1.51 0.00 0.00 0.00 174.94 177.51 2zua s ASP 44 N 1.70 5.28 0.07 3.58 1.47 -1.26 -4.74 116.67 122.77 2zua s ASP 44 Ca 0.68 0.84 -0.21 0.00 1.18 0.00 0.00 52.55 55.03 2zua s ASP 44 Cb -0.37 -1.64 -0.08 0.00 -0.34 0.00 0.00 42.92 40.49 2zua s ASP 44 CO 0.30 -1.36 1.34 1.56 0.68 0.00 0.00 175.17 177.70 2zua h GLN 45 N -0.53 -0.35 -0.45 2.11 1.08 -1.98 -1.92 115.11 113.07 2zua h GLN 45 Ca -0.45 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 56.86 2zua h GLN 45 Cb 1.27 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.69 2zua h GLN 45 CO 0.62 -0.23 -0.23 1.05 -0.95 0.00 0.00 178.83 179.10 2zua h GLU 46 N -0.36 -0.13 -0.32 1.46 9.09 -1.99 -1.02 114.58 121.32 2zua h GLU 46 Ca 0.02 0.01 0.04 0.00 0.05 0.00 0.00 59.36 59.48 2zua h GLU 46 Cb 0.42 0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 27.52 2zua h GLU 46 CO -0.28 -0.09 0.09 1.25 0.05 0.00 0.00 179.01 180.04 2zua h LEU 47 N -0.13 0.07 -0.87 3.06 5.85 -1.93 0.18 115.31 121.54 2zua h LEU 47 Ca 0.21 0.04 0.19 0.00 0.84 0.00 0.00 57.88 59.16 2zua h LEU 47 Cb 0.47 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 2zua h LEU 47 CO -0.54 0.08 0.40 0.00 -0.34 0.00 0.00 178.44 178.04 2zua h ALA 48 N 1.22 1.35 0.00 1.25 0.00 -0.46 0.17 119.26 122.79 2zua h ALA 48 Ca 0.15 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2zua h ALA 48 Cb 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2zua h ALA 48 CO -0.17 -0.25 -0.84 0.93 0.00 0.00 0.00 179.25 178.92 2zua h GLU 49 N 0.48 0.06 -0.01 0.00 5.08 0.01 -2.79 114.58 117.41 2zua h GLU 49 Ca 0.51 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.65 2zua h GLU 49 Cb 0.89 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2zua h GLU 49 CO -0.46 0.86 -0.73 1.49 -1.00 0.00 0.00 179.01 179.17 2zua h GLU 50 N 0.03 0.08 -0.43 2.33 4.81 0.15 -2.52 114.58 119.03 2zua h GLU 50 Ca -0.02 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.01 2zua h GLU 50 Cb 1.47 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.86 2zua h GLU 50 CO 0.12 0.78 -0.21 1.25 -0.73 0.00 0.00 179.01 180.21 2zua h HIS 51 N 0.05 1.05 -0.79 0.92 2.76 -0.65 -3.08 115.15 115.41 2zua h HIS 51 Ca -0.01 -0.26 -0.31 0.00 -2.20 0.00 0.00 60.37 57.58 2zua h HIS 51 Cb 1.29 -0.24 -0.19 0.00 1.55 0.00 0.00 27.41 29.83 2zua h HIS 51 CO 0.01 1.06 0.37 0.66 -1.30 0.00 0.00 177.93 178.73 2zua n TYR 52 N -4.18 2.55 -0.33 5.26 4.01 -1.06 -4.74 117.16 118.67 2zua n TYR 52 Ca -0.01 -1.44 0.15 0.00 -0.16 0.00 0.00 57.90 56.44 2zua n TYR 52 Cb 0.45 -0.76 0.34 0.00 -0.31 0.00 0.00 39.34 39.06 2zua n TYR 52 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2zua h GLY 53 N 1.99 1.71 1.92 2.72 0.00 -1.35 0.54 103.07 110.59 2zua h GLY 53 Ca 0.38 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2zua h GLY 53 CO 0.83 -0.23 0.04 1.05 0.00 0.00 0.00 176.54 178.23 2zua h GLU 54 N 0.52 0.00 -0.51 4.80 9.09 -1.87 -1.61 114.58 125.00 2zua h GLU 54 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 2zua h GLU 54 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 2zua h GLU 54 CO -0.48 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.30 2zua n HIS 55 N -2.82 1.10 -0.32 2.06 8.25 0.18 -4.70 115.22 118.97 2zua n HIS 55 Ca -0.02 -0.62 0.02 0.00 -0.26 0.00 0.00 57.72 56.83 2zua n HIS 55 Cb 0.09 -0.19 0.16 0.00 1.12 0.00 0.00 29.99 31.18 2zua n HIS 55 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2zua h GLU 56 N 3.19 0.93 -0.02 -0.41 4.81 -1.36 -1.79 114.58 119.93 2zua h GLU 56 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2zua h GLU 56 Cb 1.24 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2zua h GLU 56 CO 0.16 0.62 0.00 -0.25 -0.73 0.00 0.00 179.01 178.80 2zua n ASP 57 N -4.63 0.34 -4.88 1.04 10.43 -1.26 -4.91 116.55 112.68 2zua n ASP 57 Ca 0.13 -1.27 -0.31 0.00 2.57 0.00 0.00 54.79 55.91 2zua n ASP 57 Cb 0.21 -0.01 -0.05 0.00 1.84 0.00 0.00 41.12 43.12 2zua n ASP 57 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2zua s LYS 58 N -1.98 3.31 0.36 -1.24 1.02 -0.67 -5.02 119.74 115.51 2zua s LYS 58 Ca 0.38 -0.49 0.13 0.00 0.02 0.00 0.00 55.97 56.01 2zua s LYS 58 Cb 0.18 -2.97 0.95 0.00 -0.52 0.00 0.00 37.83 35.47 2zua s LYS 58 CO 0.30 0.60 1.78 -1.35 -0.92 0.00 0.00 175.35 175.76 2zua h PRO 59 N 3.18 0.53 0.00 -1.68 0.11 -1.91 -2.85 132.00 129.39 2zua h PRO 59 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2zua h PRO 59 Cb 1.16 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2zua h PRO 59 CO 0.73 0.35 -0.24 1.97 -0.21 0.00 0.00 178.00 180.60 2zua n PHE 60 N -4.70 0.57 -0.37 0.65 1.16 -1.26 -4.35 117.46 109.16 2zua n PHE 60 Ca 0.24 0.17 -0.05 0.00 -1.87 0.00 0.00 57.45 55.94 2zua n PHE 60 Cb 0.73 -0.71 -0.01 0.00 -1.61 0.00 0.00 39.48 37.89 2zua n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2zua h PHE 61 N 0.00 -1.32 -0.95 2.97 3.57 -1.71 0.01 116.94 119.51 2zua h PHE 61 Ca 0.00 0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2zua h PHE 61 Cb 0.68 0.71 -0.06 0.00 2.79 0.00 0.00 35.95 40.07 2zua h PHE 61 CO 0.00 -0.40 0.62 -0.44 -2.23 0.00 0.00 178.31 175.86 2zua h ASP 62 N -0.03 1.02 -0.58 0.41 3.32 -1.83 -0.28 116.42 118.45 2zua h ASP 62 Ca 0.28 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2zua h ASP 62 Cb 0.54 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2zua h ASP 62 CO -0.93 0.70 0.23 1.23 -1.72 0.00 0.00 179.24 178.74 2zua h GLY 63 N 1.19 0.94 1.02 2.75 0.00 -1.32 0.11 103.07 107.75 2zua h GLY 63 Ca 0.38 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2zua h GLY 63 CO -0.13 0.48 0.12 -2.00 0.00 0.00 0.00 176.54 175.02 2zua h LEU 64 N 0.80 0.91 -0.00 3.11 5.85 -0.50 -1.41 115.31 124.08 2zua h LEU 64 Ca 0.19 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2zua h LEU 64 Cb 0.21 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2zua h LEU 64 CO -0.02 0.92 0.00 0.58 -0.34 0.00 0.00 178.44 179.59 2zua h VAL 65 N 0.85 1.20 -1.00 1.05 2.07 -0.97 -2.87 116.25 116.58 2zua h VAL 65 Ca 0.18 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2zua h VAL 65 Cb 0.38 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2zua h VAL 65 CO 0.01 0.15 0.65 0.44 0.02 0.00 0.00 177.57 178.84 2zua h ASP 66 N -0.25 1.04 0.10 0.57 5.19 -0.80 -2.34 116.42 119.94 2zua h ASP 66 Ca 0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2zua h ASP 66 Cb 0.25 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.55 2zua h ASP 66 CO 0.00 0.67 -0.05 0.15 -3.12 0.00 0.00 179.24 176.89 2zua h PHE 67 N 1.18 -0.13 0.00 4.55 3.57 -1.30 -1.56 116.94 123.24 2zua h PHE 67 Ca 0.43 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2zua h PHE 67 Cb 0.15 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2zua h PHE 67 CO -0.00 0.34 0.00 1.51 -2.23 0.00 0.00 178.31 177.92 2zua n ILE 68 N -4.91 1.41 0.30 1.41 0.13 -1.08 -1.42 119.36 115.19 2zua n ILE 68 Ca -0.08 0.63 0.08 0.00 -1.10 0.00 0.00 62.75 62.28 2zua n ILE 68 Cb 0.27 -1.62 -0.12 0.00 -0.84 0.00 0.00 39.64 37.33 2zua n ILE 68 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2zua n THR 69 N -1.95 0.00 0.17 9.51 -1.04 -0.89 -4.55 114.28 115.53 2zua n THR 69 Ca -0.01 -0.28 0.04 0.00 -2.04 0.00 0.00 64.05 61.77 2zua n THR 69 Cb 0.03 0.47 0.27 0.00 -1.82 0.00 0.00 70.33 69.27 2zua n THR 69 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2zua h SER 70 N 0.00 0.00 -5.52 8.00 4.64 -0.19 -3.46 113.55 117.02 2zua h SER 70 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2zua h SER 70 Cb 0.62 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.59 2zua h SER 70 CO 0.00 0.42 -0.42 -0.83 -0.87 0.00 0.00 176.83 175.14 2zua s GLY 71 N -4.39 1.30 0.59 -0.77 0.00 -1.26 -5.11 107.32 97.68 2zua s GLY 71 Ca 0.01 -1.50 -0.18 0.00 0.00 0.00 0.00 44.72 43.05 2zua s GLY 71 CO 0.70 -1.15 1.12 -4.14 0.00 0.00 0.00 173.10 169.64 2zua s PRO 72 N -3.91 3.12 0.41 2.90 0.02 -1.26 -4.68 135.00 131.59 2zua s PRO 72 Ca 0.34 1.53 0.07 0.00 0.02 0.00 0.00 61.00 62.96 2zua s PRO 72 Cb 0.04 -1.98 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 2zua s PRO 72 CO 0.14 -1.02 0.21 0.14 -0.33 0.00 0.00 177.00 176.14 2zua s VAL 73 N -1.99 2.45 -0.33 3.83 -7.23 -0.35 -4.00 120.40 112.79 2zua s VAL 73 Ca 0.71 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.28 2zua s VAL 73 Cb -0.23 -2.99 0.09 0.00 0.56 0.00 0.00 36.38 33.81 2zua s VAL 73 CO 0.33 -0.02 0.03 0.12 -0.31 0.00 0.00 175.10 175.24 2zua s PHE 74 N -2.56 3.61 -0.12 2.82 5.36 -0.91 -2.71 117.98 123.49 2zua s PHE 74 Ca 0.42 -2.85 -0.15 0.00 -0.96 0.00 0.00 56.93 53.39 2zua s PHE 74 Cb 0.02 -2.73 -0.05 0.00 -0.34 0.00 0.00 43.02 39.92 2zua s PHE 74 CO 0.24 -0.94 0.36 0.00 -1.46 0.00 0.00 175.22 173.43 2zua s ALA 75 N 0.96 3.58 0.18 11.12 0.00 -0.49 -0.77 121.76 136.33 2zua s ALA 75 Ca 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2zua s ALA 75 Cb -0.19 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2zua s ALA 75 CO -0.08 0.14 0.20 0.00 0.00 0.00 0.00 175.76 176.02 2zua s MET 76 N 0.23 1.16 -0.00 0.00 0.23 0.56 0.21 119.30 121.68 2zua s MET 76 Ca 0.21 -1.40 0.06 0.00 -1.03 0.00 0.00 55.69 53.53 2zua s MET 76 Cb -0.14 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 2zua s MET 76 CO 0.07 -0.40 -0.20 0.08 -2.03 0.00 0.00 175.02 172.55 2zua s VAL 77 N -4.06 1.60 0.08 5.16 1.01 -0.07 -1.31 120.40 122.81 2zua s VAL 77 Ca 0.27 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.41 2zua s VAL 77 Cb 0.05 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2zua s VAL 77 CO 0.05 0.39 -0.24 0.26 0.00 0.00 0.00 175.10 175.57 2zua s TRP 78 N -0.54 2.07 -0.07 5.22 0.52 -0.67 -2.23 118.94 123.24 2zua s TRP 78 Ca 0.08 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.85 2zua s TRP 78 Cb -0.08 -1.19 -0.00 0.00 -1.15 0.00 0.00 33.47 31.05 2zua s TRP 78 CO -0.00 0.18 -0.22 -2.00 0.02 0.00 0.00 176.95 174.93 2zua s GLU 79 N -1.54 2.54 0.00 4.98 2.12 0.29 -2.22 118.70 124.87 2zua s GLU 79 Ca 0.10 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.63 2zua s GLU 79 Cb -0.10 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.25 2zua s GLU 79 CO 0.03 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 2zua n GLY 80 N 3.28 0.63 3.75 -1.50 0.00 -0.94 -0.24 105.19 110.18 2zua n GLY 80 Ca -0.19 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2zua n GLY 80 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2zua s GLN 81 N -2.00 4.56 -1.44 1.61 -2.07 -1.22 -2.76 119.66 116.33 2zua s GLN 81 Ca 0.00 1.88 0.00 0.00 -1.82 0.00 0.00 55.36 55.42 2zua s GLN 81 Cb 0.00 -3.19 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 2zua s GLN 81 CO 0.00 0.07 0.00 -3.47 -1.32 0.00 0.00 175.29 170.57 2zua n ASP 82 N 1.55 -4.96 -0.24 12.60 2.03 -1.26 -4.89 116.55 121.38 2zua n ASP 82 Ca 0.01 0.09 0.04 0.00 0.52 0.00 0.00 54.79 55.45 2zua n ASP 82 Cb 0.44 -4.17 0.16 0.00 -0.72 0.00 0.00 41.12 36.84 2zua n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zua h ALA 83 N 0.99 0.89 -0.25 -1.67 0.00 -1.78 -1.20 119.26 116.24 2zua h ALA 83 Ca -0.40 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2zua h ALA 83 Cb 1.29 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2zua h ALA 83 CO 0.47 -0.33 -0.00 1.15 0.00 0.00 0.00 179.25 180.54 2zua h THR 84 N 0.27 1.26 -0.21 0.00 2.02 -1.88 -1.92 112.91 112.44 2zua h THR 84 Ca 0.39 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 2zua h THR 84 Cb 0.65 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2zua h THR 84 CO -0.49 0.29 -0.10 -0.09 0.37 0.00 0.00 175.52 175.50 2zua h ARG 85 N 0.21 0.44 -0.90 6.66 2.43 -1.83 -3.09 114.38 118.30 2zua h ARG 85 Ca 0.07 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2zua h ARG 85 Cb 0.42 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 2zua h ARG 85 CO 0.01 0.72 0.59 1.96 -1.51 0.00 0.00 179.97 181.74 2zua h GLN 86 N 0.14 1.13 -0.53 0.20 1.08 -1.10 -1.16 115.11 114.87 2zua h GLN 86 Ca 0.05 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2zua h GLN 86 Cb 0.58 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2zua h GLN 86 CO 0.03 0.75 0.07 0.28 -0.95 0.00 0.00 178.83 179.01 2zua h VAL 87 N 1.17 1.24 -0.45 -0.54 2.07 -1.42 -1.76 116.25 116.56 2zua h VAL 87 Ca 0.34 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 2zua h VAL 87 Cb -0.06 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2zua h VAL 87 CO -0.10 0.34 -0.21 0.03 0.02 0.00 0.00 177.57 177.65 2zua h ARG 88 N 0.80 0.91 -0.48 1.57 3.08 -1.22 -1.63 114.38 117.41 2zua h ARG 88 Ca 0.17 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2zua h ARG 88 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2zua h ARG 88 CO 0.01 1.03 0.24 1.15 -1.07 0.00 0.00 179.97 181.33 2zua h THR 89 N 0.79 1.18 -0.15 2.04 2.02 -1.10 -2.78 112.91 114.91 2zua h THR 89 Ca 0.11 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2zua h THR 89 Cb 0.76 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2zua h THR 89 CO 0.06 0.20 0.00 0.24 0.37 0.00 0.00 175.52 176.39 2zua h MET 90 N 0.63 0.22 0.05 6.66 2.86 -1.03 -2.82 114.93 121.50 2zua h MET 90 Ca 0.17 -0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.53 2zua h MET 90 Cb 0.09 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.72 2zua h MET 90 CO -0.02 0.24 -1.06 0.52 1.06 0.00 0.00 176.91 177.65 2zua h MET 91 N 0.22 0.39 0.00 1.72 2.07 -1.13 -0.98 114.93 117.22 2zua h MET 91 Ca 0.05 -0.49 0.00 0.00 -2.07 0.00 0.00 59.70 57.19 2zua h MET 91 Cb 0.15 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 2zua h MET 91 CO 0.00 1.17 0.00 0.41 1.07 0.00 0.00 176.91 179.56 2zua n GLY 92 N 1.16 -0.54 3.92 8.32 0.00 -1.07 -1.17 105.19 115.82 2zua n GLY 92 Ca -0.08 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.64 2zua n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2zua s GLU 93 N 0.00 2.96 0.18 1.61 2.56 -1.26 -4.74 118.70 120.00 2zua s GLU 93 Ca 0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.97 54.71 2zua s GLU 93 Cb 0.00 -2.32 0.11 0.00 2.00 0.00 0.00 34.13 33.92 2zua s GLU 93 CO 0.00 -0.62 1.62 1.15 -0.56 0.00 0.00 175.26 176.85 2zua h THR 94 N -0.08 0.36 -3.07 -1.70 2.02 -1.97 -3.38 112.91 105.10 2zua h THR 94 Ca -0.45 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.16 2zua h THR 94 Cb 1.25 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2zua h THR 94 CO 0.60 0.00 0.76 -0.62 0.37 0.00 0.00 175.52 176.63 2zua s ASP 95 N -5.14 7.07 0.33 4.18 3.68 -1.26 -4.88 116.67 120.65 2zua s ASP 95 Ca -0.14 1.60 0.02 0.00 2.13 0.00 0.00 52.55 56.16 2zua s ASP 95 Cb 0.15 -2.55 0.60 0.00 -1.45 0.00 0.00 42.92 39.67 2zua s ASP 95 CO 0.70 -0.63 1.94 -0.65 0.13 0.00 0.00 175.17 176.66 2zua h PRO 96 N 7.60 0.91 0.00 4.34 0.11 -1.82 -2.03 132.00 141.10 2zua h PRO 96 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2zua h PRO 96 Cb 1.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2zua h PRO 96 CO 0.93 0.60 0.00 0.00 -0.21 0.00 0.00 178.00 179.32 2zua n ALA 97 N -2.42 1.71 0.02 -0.75 0.00 -1.26 -0.64 120.51 117.17 2zua n ALA 97 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.52 2zua n ALA 97 Cb 0.18 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.49 2zua n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2zua n GLU 98 N -1.19 1.51 -3.78 0.00 -0.58 -0.77 -5.05 120.64 110.78 2zua n GLU 98 Ca 0.06 -1.22 -0.33 0.00 -0.42 0.00 0.00 57.16 55.24 2zua n GLU 98 Cb 0.06 -1.05 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 2zua n GLU 98 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2zua s SER 99 N -0.68 6.47 0.52 1.62 0.01 0.18 -4.74 113.70 117.09 2zua s SER 99 Ca 0.04 0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.65 2zua s SER 99 Cb 0.02 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 64.11 2zua s SER 99 CO 0.03 0.21 0.99 0.00 0.41 0.00 0.00 173.24 174.88 2zua s ALA 100 N -1.39 3.05 0.43 1.44 0.00 -1.26 -4.55 121.76 119.48 2zua s ALA 100 Ca 0.31 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 2zua s ALA 100 Cb -0.13 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 2zua s ALA 100 CO 0.19 -0.29 1.31 -2.14 0.00 0.00 0.00 175.76 174.84 2zua s PRO 101 N -4.13 3.83 0.00 0.00 0.02 -1.26 -2.64 135.00 130.82 2zua s PRO 101 Ca 0.59 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.77 2zua s PRO 101 Cb -0.10 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.76 2zua s PRO 101 CO 0.33 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 2zua n GLY 102 N 0.64 2.21 3.82 0.52 0.00 -1.26 -4.99 105.19 106.13 2zua n GLY 102 Ca 0.05 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2zua n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zua s THR 103 N -1.53 4.21 0.23 2.61 -4.23 -1.08 -4.93 115.64 110.92 2zua s THR 103 Ca 0.00 1.14 -0.06 0.00 -1.18 0.00 0.00 61.69 61.59 2zua s THR 103 Cb 0.00 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 70.46 2zua s THR 103 CO 0.00 -0.52 1.82 0.40 -0.54 0.00 0.00 174.62 175.77 2zua h ILE 104 N 1.01 0.95 0.15 2.99 2.04 -1.16 -1.38 117.51 122.12 2zua h ILE 104 Ca -0.47 -0.27 -0.29 0.00 1.00 0.00 0.00 64.86 64.82 2zua h ILE 104 Cb 1.20 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2zua h ILE 104 CO 0.60 0.15 -1.29 0.03 0.00 0.00 0.00 178.15 177.64 2zua h ARG 105 N 0.80 0.35 0.00 2.37 3.08 -1.40 -2.08 114.38 117.50 2zua h ARG 105 Ca 0.36 -0.59 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 2zua h ARG 105 Cb 0.27 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2zua h ARG 105 CO -0.21 1.28 -0.21 0.78 -1.07 0.00 0.00 179.97 180.53 2zua h GLY 106 N 1.20 0.00 1.03 0.04 0.00 -1.66 -1.17 103.07 102.50 2zua h GLY 106 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 2zua h GLY 106 CO 0.22 0.00 -1.40 -0.55 0.00 0.00 0.00 176.54 174.81 2zua h ASP 107 N 0.00 0.00 0.00 0.19 3.32 -1.21 -3.43 116.42 115.29 2zua h ASP 107 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2zua h ASP 107 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2zua h ASP 107 CO 0.03 0.61 -0.90 -1.22 -1.72 0.00 0.00 179.24 176.04 2zua n TYR 108 N -2.92 0.00 -3.56 4.55 4.01 -0.79 -5.09 117.16 113.37 2zua n TYR 108 Ca -0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.45 2zua n TYR 108 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.87 2zua n TYR 108 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2zua s GLY 109 N -2.31 1.74 0.00 2.72 0.00 -0.45 -5.02 107.32 104.00 2zua s GLY 109 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2zua s GLY 109 CO 0.00 -1.48 0.00 1.04 0.00 0.00 0.00 173.10 172.66 2zua n LEU 110 N -1.55 0.00 -4.30 0.66 4.77 -1.26 -4.80 117.00 110.51 2zua n LEU 110 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 2zua n LEU 110 Cb 0.59 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 2zua n LEU 110 CO 0.42 0.00 -0.55 -0.62 -1.33 0.00 0.00 177.39 175.31 2zua s ASP 111 N -1.14 2.85 0.31 -1.43 2.15 -1.26 -4.28 116.67 113.87 2zua s ASP 111 Ca 0.00 -0.56 0.03 0.00 0.43 0.00 0.00 52.55 52.45 2zua s ASP 111 Cb 0.00 -0.25 0.60 0.00 -0.30 0.00 0.00 42.92 42.97 2zua s ASP 111 CO 0.00 0.22 1.90 0.25 -0.17 0.00 0.00 175.17 177.36 2zua h LEU 112 N 4.84 0.84 0.00 -1.34 5.85 -1.96 -2.48 115.31 121.07 2zua h LEU 112 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2zua h LEU 112 Cb 1.15 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2zua h LEU 112 CO 0.44 0.51 -0.24 0.61 -0.34 0.00 0.00 178.44 179.42 2zua n GLY 113 N -1.40 -1.47 2.48 3.75 0.00 -1.26 -4.21 105.19 103.08 2zua n GLY 113 Ca 0.15 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2zua n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zua n ARG 114 N -1.79 1.01 -1.62 1.61 1.74 -0.93 -4.97 116.66 111.71 2zua n ARG 114 Ca 0.06 -3.71 -0.30 0.00 -0.77 0.00 0.00 57.85 53.13 2zua n ARG 114 Cb 0.38 -1.80 0.06 0.00 -1.02 0.00 0.00 32.46 30.07 2zua n ARG 114 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2zua n ASN 115 N 2.05 6.49 0.00 0.55 6.94 -1.24 -4.28 115.26 125.78 2zua n ASN 115 Ca 0.26 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.04 2zua n ASN 115 Cb 0.45 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 2zua n ASN 115 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2zua n VAL 116 N -0.83 0.00 -3.72 3.53 0.24 -1.26 -4.73 118.33 111.56 2zua n VAL 116 Ca 0.55 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.72 2zua n VAL 116 Cb 0.80 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 2zua n VAL 116 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2zua s ILE 117 N 0.00 -0.00 0.06 1.34 2.07 -1.26 -0.13 121.20 123.28 2zua s ILE 117 Ca 0.00 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 2zua s ILE 117 Cb 0.00 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 2zua s ILE 117 CO 0.00 0.00 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.64 2zua s HIS 118 N 0.27 2.74 -0.04 3.50 5.65 -0.45 -4.91 115.29 122.04 2zua s HIS 118 Ca -0.00 -0.15 -0.07 0.00 0.25 0.00 0.00 55.06 55.09 2zua s HIS 118 Cb -0.03 -1.49 0.01 0.00 -1.18 0.00 0.00 32.58 29.89 2zua s HIS 118 CO 0.00 0.37 0.18 0.20 -0.65 0.00 0.00 174.74 174.84 2zua s GLY 119 N -1.79 -0.08 0.48 1.59 0.00 -1.26 -0.58 107.32 105.68 2zua s GLY 119 Ca 0.18 0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.94 2zua s GLY 119 CO 0.10 0.17 1.39 1.44 0.00 0.00 0.00 173.10 176.20 2zua n SER 120 N 2.30 3.05 -4.64 1.64 7.64 -0.53 -4.93 113.62 118.14 2zua n SER 120 Ca -0.17 1.08 -0.40 0.00 1.01 0.00 0.00 58.87 60.38 2zua n SER 120 Cb 0.57 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 2zua n SER 120 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2zua s ASP 121 N -0.60 6.66 0.35 6.43 -1.08 -1.26 -4.77 116.67 122.40 2zua s ASP 121 Ca 0.64 0.81 0.18 0.00 -0.52 0.00 0.00 52.55 53.65 2zua s ASP 121 Cb -0.45 -2.35 0.56 0.00 -1.46 0.00 0.00 42.92 39.22 2zua s ASP 121 CO 0.55 -0.34 1.68 1.12 0.52 0.00 0.00 175.17 178.70 2zua h HIS 122 N 7.68 0.00 0.00 -5.34 2.07 -1.92 -3.03 115.15 114.61 2zua h HIS 122 Ca -0.29 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.15 2zua h HIS 122 Cb 1.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.10 2zua h HIS 122 CO 0.73 0.42 -0.39 0.93 -3.07 0.00 0.00 177.93 176.55 2zua h GLU 123 N 0.00 0.00 -5.61 5.12 5.08 -1.97 -3.36 114.58 113.85 2zua h GLU 123 Ca -0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 2zua h GLU 123 Cb 1.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.11 2zua h GLU 123 CO 0.05 0.39 1.09 0.34 -1.00 0.00 0.00 179.01 179.89 2zua s ASP 124 N -6.86 6.50 -0.32 1.42 2.15 -1.14 -4.97 116.67 113.44 2zua s ASP 124 Ca -0.02 -1.59 -0.29 0.00 0.43 0.00 0.00 52.55 51.08 2zua s ASP 124 Cb 0.14 -2.48 -0.07 0.00 -0.30 0.00 0.00 42.92 40.21 2zua s ASP 124 CO 0.72 -1.34 2.28 1.21 -0.17 0.00 0.00 175.17 177.87 2zua n GLU 125 N 7.82 1.55 0.00 4.34 4.07 -1.26 -1.28 120.64 135.89 2zua n GLU 125 Ca 0.23 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 2zua n GLU 125 Cb 0.50 -3.12 0.00 0.00 -0.06 0.00 0.00 31.44 28.76 2zua n GLU 125 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2zua n GLY 126 N 5.98 0.58 0.08 8.31 0.00 -1.26 -4.99 105.19 113.89 2zua n GLY 126 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 2zua n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zua h ALA 127 N 0.00 0.13 -0.61 4.61 0.00 -1.44 -2.69 119.26 119.25 2zua h ALA 127 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2zua h ALA 127 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 2zua h ALA 127 CO 0.00 -0.35 -0.53 -2.95 0.00 0.00 0.00 179.25 175.43 2zua h ASN 128 N 0.08 -1.82 -0.88 0.00 7.08 -1.80 0.18 115.58 118.42 2zua h ASN 128 Ca 0.04 0.27 0.07 0.00 -3.08 0.00 0.00 56.30 53.60 2zua h ASN 128 Cb 0.05 0.79 -0.07 0.00 -2.08 0.00 0.00 38.32 37.02 2zua h ASN 128 CO -0.01 -0.34 0.54 -0.33 -2.08 0.00 0.00 177.43 175.21 2zua h GLU 129 N -0.25 0.93 -0.60 4.14 4.39 -1.80 0.41 114.58 121.80 2zua h GLU 129 Ca 0.13 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2zua h GLU 129 Cb 0.54 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2zua h GLU 129 CO -0.72 0.61 0.34 -0.09 -1.16 0.00 0.00 179.01 178.00 2zua h ARG 130 N 0.96 0.84 0.00 2.33 2.43 -0.75 -0.05 114.38 120.13 2zua h ARG 130 Ca 0.39 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 2zua h ARG 130 Cb 0.23 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2zua h ARG 130 CO -0.19 0.63 -0.56 0.93 -1.51 0.00 0.00 179.97 179.26 2zua h GLU 131 N 0.82 0.00 0.88 0.20 5.08 -0.10 -1.39 114.58 120.06 2zua h GLU 131 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2zua h GLU 131 Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2zua h GLU 131 CO -0.04 0.56 -0.42 0.82 -1.00 0.00 0.00 179.01 178.93 2zua h ILE 132 N 0.00 0.14 -0.67 3.13 1.08 -0.68 -2.95 117.51 117.56 2zua h ILE 132 Ca -0.01 -0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 2zua h ILE 132 Cb 1.07 0.14 -0.11 0.00 -3.07 0.00 0.00 36.82 34.84 2zua h ILE 132 CO 0.07 0.00 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.19 2zua h GLU 133 N -1.18 0.10 -0.82 2.37 4.39 -0.85 0.76 114.58 119.35 2zua h GLU 133 Ca -0.12 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 2zua h GLU 133 Cb 0.90 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.49 2zua h GLU 133 CO 0.20 0.07 0.37 1.25 -1.16 0.00 0.00 179.01 179.73 2zua h LEU 134 N 0.11 1.10 0.00 1.33 5.85 -1.32 -3.27 115.31 119.11 2zua h LEU 134 Ca 0.35 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.73 2zua h LEU 134 Cb 0.59 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2zua h LEU 134 CO -0.58 0.95 -1.82 0.49 -0.34 0.00 0.00 178.44 177.13 2zua n PHE 135 N -4.30 0.49 -4.19 1.25 3.01 -0.82 -4.95 117.46 107.95 2zua n PHE 135 Ca 0.08 0.16 -0.18 0.00 1.01 0.00 0.00 57.45 58.52 2zua n PHE 135 Cb 0.16 -0.94 -0.15 0.00 -0.01 0.00 0.00 39.48 38.54 2zua n PHE 135 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2zua s PHE 136 N -2.92 0.64 0.26 1.38 0.08 0.20 -5.11 117.98 112.52 2zua s PHE 136 Ca -0.06 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.74 2zua s PHE 136 Cb 0.09 -0.50 -0.07 0.00 -0.57 0.00 0.00 43.02 41.97 2zua s PHE 136 CO 0.84 -0.09 0.60 -0.51 -0.10 0.00 0.00 175.22 175.96 2zua s ASP 137 N 0.35 6.64 0.61 1.36 1.01 -1.26 -4.27 116.67 121.10 2zua s ASP 137 Ca -0.04 1.00 0.26 0.00 0.71 0.00 0.00 52.55 54.47 2zua s ASP 137 Cb -0.08 -2.26 1.16 0.00 1.01 0.00 0.00 42.92 42.76 2zua s ASP 137 CO -0.00 -0.13 1.60 -0.33 0.21 0.00 0.00 175.17 176.51 2zua h GLU 138 N 2.34 0.00 -0.72 8.23 5.08 -1.95 -0.14 114.58 127.42 2zua h GLU 138 Ca -0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2zua h GLU 138 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2zua h GLU 138 CO 0.68 0.00 0.44 -0.44 -1.00 0.00 0.00 179.01 178.68 2zua h ASP 139 N 0.00 0.85 -0.03 1.42 3.32 -2.03 -2.89 116.42 117.06 2zua h ASP 139 Ca 0.29 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2zua h ASP 139 Cb 1.89 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 41.22 2zua h ASP 139 CO -0.00 0.65 0.00 -0.62 -1.72 0.00 0.00 179.24 177.55 2zua n GLU 140 N -4.40 1.51 -3.91 3.56 1.02 -0.07 -4.77 120.64 113.59 2zua n GLU 140 Ca 0.07 -0.75 -0.35 0.00 -0.02 0.00 0.00 57.16 56.11 2zua n GLU 140 Cb 0.06 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 29.92 2zua n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2zua s LEU 141 N -1.92 3.88 -0.22 -4.62 1.43 -1.09 -4.55 118.68 111.59 2zua s LEU 141 Ca 0.39 0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 2zua s LEU 141 Cb 0.20 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2zua s LEU 141 CO 0.33 0.15 0.08 -0.69 0.23 0.00 0.00 176.35 176.45 2zua s VAL 142 N 0.53 4.71 -0.39 -1.59 1.01 0.10 -5.01 120.40 119.76 2zua s VAL 142 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 2zua s VAL 142 Cb -0.12 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2zua s VAL 142 CO 0.01 0.39 0.63 -0.62 0.00 0.00 0.00 175.10 175.50 2zua s ASP 143 N 0.98 6.38 0.15 3.32 -1.08 -1.26 -4.75 116.67 120.40 2zua s ASP 143 Ca 0.05 -0.05 -0.15 0.00 -0.52 0.00 0.00 52.55 51.88 2zua s ASP 143 Cb -0.14 -2.32 0.02 0.00 -1.46 0.00 0.00 42.92 39.03 2zua s ASP 143 CO 0.03 -0.65 0.41 -1.66 0.52 0.00 0.00 175.17 173.82 2zua s TRP 144 N 2.72 -0.05 -0.20 -5.34 1.48 -1.26 -5.15 118.94 111.14 2zua s TRP 144 Ca 0.23 -0.29 -0.03 0.00 -1.06 0.00 0.00 56.10 54.95 2zua s TRP 144 Cb -0.14 0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 32.38 2zua s TRP 144 CO 0.16 -0.77 -0.07 -0.51 -4.06 0.00 0.00 176.95 171.71 2zua s ASP 145 N -2.86 4.23 -0.22 -2.66 1.01 -1.26 -5.10 116.67 109.82 2zua s ASP 145 Ca 0.08 -0.37 -0.13 0.00 0.71 0.00 0.00 52.55 52.83 2zua s ASP 145 Cb 0.01 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2zua s ASP 145 CO -0.07 0.03 0.28 -1.58 0.21 0.00 0.00 175.17 174.04 2zua s GLN 146 N 1.18 4.13 0.00 8.23 0.74 -1.26 -4.99 119.66 127.68 2zua s GLN 146 Ca 0.02 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.41 2zua s GLN 146 Cb -0.14 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.43 2zua s GLN 146 CO -0.02 0.02 0.00 -0.89 -0.55 0.00 0.00 175.29 173.86 2zua n ILE 147 N 4.27 0.00 0.56 -2.34 -0.00 -1.26 -0.09 119.36 120.50 2zua n ILE 147 Ca -0.12 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.74 2zua n ILE 147 Cb 0.52 0.00 0.43 0.00 -0.00 0.00 0.00 39.64 40.58 2zua n ILE 147 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2zua n ASP 148 N -1.95 0.32 -0.26 4.38 5.68 -1.26 -3.78 116.55 119.68 2zua n ASP 148 Ca 0.00 0.56 0.06 0.00 -0.50 0.00 0.00 54.79 54.91 2zua n ASP 148 Cb 0.00 -0.64 0.17 0.00 -1.14 0.00 0.00 41.12 39.51 2zua n ASP 148 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2zua h SER 149 N 0.00 -0.32 0.67 -1.12 0.87 -0.87 0.49 113.55 113.27 2zua h SER 149 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2zua h SER 149 Cb 0.39 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2zua h SER 149 CO 0.00 -0.18 0.00 -1.54 -0.53 0.00 0.00 176.83 174.58 2zua n SER 150 N -5.34 0.00 -0.46 6.23 3.41 -1.25 -2.69 113.62 113.53 2zua n SER 150 Ca 0.15 0.46 0.05 0.00 -0.26 0.00 0.00 58.87 59.27 2zua n SER 150 Cb 0.50 -0.48 0.06 0.00 -0.26 0.00 0.00 64.21 64.02 2zua n SER 150 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2zua n TRP 151 N -1.48 0.05 -0.11 7.33 7.02 0.04 -4.60 117.44 125.68 2zua n TRP 151 Ca 0.05 -0.06 -0.14 0.00 -1.02 0.00 0.00 57.50 56.33 2zua n TRP 151 Cb 0.23 -0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.98 2zua n TRP 151 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2zua n LEU 152 N 0.60 1.77 -3.99 -0.99 7.94 -0.46 -4.98 117.00 116.90 2zua n LEU 152 Ca 0.07 -0.08 -0.12 0.00 -1.11 0.00 0.00 56.01 54.77 2zua n LEU 152 Cb 0.29 -0.33 -0.12 0.00 0.53 0.00 0.00 43.42 43.79 2zua n LEU 152 CO 0.07 0.75 -0.38 -0.31 -1.11 0.00 0.00 177.39 176.41 2zua s TYR 153 N -2.49 0.39 -2.80 1.96 2.02 -1.15 -5.09 117.35 110.19 2zua s TYR 153 Ca -0.24 -0.37 0.22 0.00 -0.37 0.00 0.00 57.07 56.31 2zua s TYR 153 Cb 0.08 -0.25 0.18 0.00 -0.40 0.00 0.00 41.96 41.56 2zua s TYR 153 CO 0.67 -0.10 1.21 -0.85 -1.57 0.00 0.00 175.55 174.91