#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 0.00 -0.70 -1.46 2.13 -1.26 -4.82 120.64 114.54 2zua n GLU 3 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 2zua n GLU 3 Cb 0.00 0.00 0.32 0.00 0.27 0.00 0.00 31.44 32.03 2zua n GLU 3 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2zua n HIS 4 N 0.00 1.62 -2.12 4.31 8.25 -1.26 -3.02 115.22 123.00 2zua n HIS 4 Ca 0.00 -0.57 -0.40 0.00 -0.26 0.00 0.00 57.72 56.49 2zua n HIS 4 Cb 0.00 -0.40 -0.02 0.00 1.12 0.00 0.00 29.99 30.69 2zua n HIS 4 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2zua s GLU 5 N -2.33 4.29 0.15 -0.41 2.12 -1.25 -4.81 118.70 116.46 2zua s GLU 5 Ca 0.44 2.19 0.09 0.00 0.36 0.00 0.00 54.97 58.04 2zua s GLU 5 Cb 0.33 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2zua s GLU 5 CO 0.14 -0.23 -0.20 1.03 -0.54 0.00 0.00 175.26 175.46 2zua s ARG 6 N -1.87 1.25 0.05 4.30 0.52 -1.26 -1.82 118.95 120.11 2zua s ARG 6 Ca 0.50 -1.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.33 2zua s ARG 6 Cb -0.39 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 2zua s ARG 6 CO 0.52 0.30 0.06 -0.08 0.02 0.00 0.00 175.30 176.12 2zua s THR 7 N -1.71 0.16 -0.13 0.02 -1.32 -1.00 -4.75 115.64 106.91 2zua s THR 7 Ca 0.13 -1.30 -0.15 0.00 -1.21 0.00 0.00 61.69 59.17 2zua s THR 7 Cb -0.07 -1.08 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 2zua s THR 7 CO 0.06 -0.72 0.35 0.12 -2.21 0.00 0.00 174.62 172.22 2zua s PHE 8 N -3.05 3.50 0.02 9.09 5.36 -1.26 -2.07 117.98 129.58 2zua s PHE 8 Ca -0.01 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 56.68 2zua s PHE 8 Cb 0.01 -2.38 -0.01 0.00 -0.34 0.00 0.00 43.02 40.30 2zua s PHE 8 CO -0.07 0.27 -0.04 0.08 -1.46 0.00 0.00 175.22 174.01 2zua s VAL 9 N 0.31 0.25 -0.20 3.12 1.01 -0.30 -1.14 120.40 123.46 2zua s VAL 9 Ca 0.20 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2zua s VAL 9 Cb -0.14 -0.31 0.10 0.00 0.00 0.00 0.00 36.38 36.03 2zua s VAL 9 CO 0.06 -0.23 0.36 -0.32 0.00 0.00 0.00 175.10 174.98 2zua s MET 10 N -0.88 0.29 -0.11 2.72 1.75 0.36 0.84 119.30 124.27 2zua s MET 10 Ca -0.07 0.79 -0.29 0.00 -1.25 0.00 0.00 55.69 54.86 2zua s MET 10 Cb -0.06 -0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.51 2zua s MET 10 CO -0.00 -0.39 1.60 0.08 -0.65 0.00 0.00 175.02 175.65 2zua s VAL 11 N 2.54 3.70 0.87 10.11 1.01 -0.40 -0.12 120.40 138.10 2zua s VAL 11 Ca 0.04 0.83 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 2zua s VAL 11 Cb -0.13 -3.58 0.11 0.00 0.00 0.00 0.00 36.38 32.78 2zua s VAL 11 CO -0.13 -0.12 1.14 -0.54 0.00 0.00 0.00 175.10 175.45 2zua s LYS 12 N 4.13 1.50 0.66 2.72 1.02 0.08 -2.21 119.74 127.64 2zua s LYS 12 Ca 0.71 0.29 0.43 0.00 0.02 0.00 0.00 55.97 57.41 2zua s LYS 12 Cb -0.30 -1.88 2.36 0.00 -0.52 0.00 0.00 37.83 37.49 2zua s LYS 12 CO 0.27 -1.95 2.36 -1.35 -0.92 0.00 0.00 175.35 173.76 2zua h PRO 13 N -1.32 0.00 0.03 -1.68 0.11 -1.81 -1.01 132.00 126.32 2zua h PRO 13 Ca -0.49 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 2zua h PRO 13 Cb 1.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 2zua h PRO 13 CO 0.63 0.00 -1.06 0.38 -0.21 0.00 0.00 178.00 177.74 2zua h ASP 14 N 0.00 0.70 -0.06 -2.05 2.03 -1.90 -1.90 116.42 113.24 2zua h ASP 14 Ca -0.00 -0.59 -0.17 0.00 -0.73 0.00 0.00 57.03 55.54 2zua h ASP 14 Cb 0.01 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.29 2zua h ASP 14 CO 0.00 1.40 -0.54 1.23 -1.03 0.00 0.00 179.24 180.30 2zua h GLY 15 N 0.85 0.70 0.86 7.15 0.00 -1.37 -1.43 103.07 109.83 2zua h GLY 15 Ca -0.12 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.39 2zua h GLY 15 CO 0.19 0.73 -0.06 -2.08 0.00 0.00 0.00 176.54 175.32 2zua h VAL 16 N 0.49 0.95 -0.34 4.60 2.07 -1.28 -2.17 116.25 120.57 2zua h VAL 16 Ca 0.01 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2zua h VAL 16 Cb 1.10 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2zua h VAL 16 CO 0.11 0.07 0.17 1.56 0.02 0.00 0.00 177.57 179.50 2zua h GLN 17 N -0.31 0.33 0.00 1.57 1.08 -1.31 -2.50 115.11 113.97 2zua h GLN 17 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2zua h GLN 17 Cb 0.25 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2zua h GLN 17 CO 0.03 0.22 0.00 0.54 -0.95 0.00 0.00 178.83 178.67 2zua n ARG 18 N -4.95 0.79 -2.17 1.46 1.74 -0.55 -4.90 116.66 108.10 2zua n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2zua n ARG 18 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 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 0.69 0.75 0.67 -0.13 0.00 -0.94 -5.02 105.19 101.21 2zua n GLY 19 Ca 0.19 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.66 3.18 0.07 0.99 4.77 -0.85 -4.75 117.00 119.75 2zua n LEU 20 Ca 0.00 -3.56 -0.12 0.00 -0.03 0.00 0.00 56.01 52.30 2zua n LEU 20 Cb 0.47 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2zua n LEU 20 CO 0.00 1.10 0.51 0.40 -1.33 0.00 0.00 177.39 178.07 2zua h ILE 21 N 0.86 0.95 0.21 -0.08 1.08 -1.90 -3.00 117.51 115.63 2zua h ILE 21 Ca 0.06 -0.97 0.01 0.00 -0.39 0.00 0.00 64.86 63.58 2zua h ILE 21 Cb 1.24 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 2zua h ILE 21 CO 0.14 0.21 -0.33 1.23 -0.69 0.00 0.00 178.15 178.71 2zua h GLY 22 N -0.73 -0.68 0.00 5.37 0.00 -1.98 -1.03 103.07 104.02 2zua h GLY 22 Ca -0.02 0.38 0.16 0.00 0.00 0.00 0.00 47.33 47.85 2zua h GLY 22 CO 0.04 -0.26 0.23 -0.55 0.00 0.00 0.00 176.54 175.99 2zua h ASP 23 N -0.61 0.12 0.07 0.19 3.32 -1.87 0.15 116.42 117.79 2zua h ASP 23 Ca 0.01 0.13 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2zua h ASP 23 Cb 0.60 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2zua h ASP 23 CO -0.14 0.01 -0.66 0.40 -1.72 0.00 0.00 179.24 177.14 2zua h ILE 24 N 0.33 1.33 -0.08 0.35 2.04 -1.34 -2.71 117.51 117.43 2zua h ILE 24 Ca 0.42 -1.96 -0.19 0.00 1.00 0.00 0.00 64.86 64.13 2zua h ILE 24 Cb 0.69 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2zua h ILE 24 CO -0.47 0.60 -0.73 0.58 0.00 0.00 0.00 178.15 178.13 2zua h VAL 25 N 0.40 1.37 -0.71 1.67 2.07 -0.04 -2.80 116.25 118.20 2zua h VAL 25 Ca -0.02 -2.13 0.01 0.00 0.82 0.00 0.00 66.70 65.39 2zua h VAL 25 Cb 1.23 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 33.06 2zua h VAL 25 CO 0.12 0.64 0.47 0.28 0.02 0.00 0.00 177.57 179.10 2zua h SER 26 N 0.30 0.80 -0.53 0.57 0.02 -0.71 0.63 113.55 114.63 2zua h SER 26 Ca -0.03 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2zua h SER 26 Cb 1.31 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2zua h SER 26 CO 0.13 0.57 -0.03 0.03 -1.14 0.00 0.00 176.83 176.39 2zua h ARG 27 N 0.94 0.95 -0.23 3.45 3.08 -1.22 0.17 114.38 121.51 2zua h ARG 27 Ca 0.27 -0.32 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2zua h ARG 27 Cb -0.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2zua h ARG 27 CO -0.06 0.98 -0.58 0.74 -1.07 0.00 0.00 179.97 179.98 2zua h PHE 28 N 0.82 1.04 -0.47 3.04 0.05 -1.33 -2.48 116.94 117.62 2zua h PHE 28 Ca 0.15 -0.40 -0.03 0.00 3.82 0.00 0.00 57.97 61.51 2zua h PHE 28 Cb 0.57 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 2zua h PHE 28 CO 0.04 1.22 0.17 0.93 -0.18 0.00 0.00 178.31 180.49 2zua h GLU 29 N 0.56 0.71 -0.71 1.51 5.08 -0.86 -2.74 114.58 118.12 2zua h GLU 29 Ca -0.01 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2zua h GLU 29 Cb 1.20 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 2zua h GLU 29 CO 0.13 0.65 0.47 -0.44 -1.00 0.00 0.00 179.01 178.82 2zua h ASP 30 N 0.61 0.59 1.02 1.42 5.19 -0.63 -2.26 116.42 122.37 2zua h ASP 30 Ca 0.15 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2zua h ASP 30 Cb 0.22 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2zua h ASP 30 CO -0.01 0.37 0.00 -0.09 -3.12 0.00 0.00 179.24 176.39 2zua h ARG 31 N 0.67 0.00 0.00 3.56 9.65 -1.21 -3.47 114.38 123.58 2zua h ARG 31 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 2zua h ARG 31 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2zua h ARG 31 CO -0.11 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.07 2zua n GLY 32 N 0.24 1.43 3.71 2.80 0.00 -0.85 -5.06 105.19 107.46 2zua n GLY 32 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2zua n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zua n LEU 33 N 0.00 3.94 -4.42 0.99 4.77 -1.05 -4.92 117.00 116.30 2zua n LEU 33 Ca 0.00 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.81 2zua n LEU 33 Cb 0.00 -1.51 -0.13 0.00 -2.33 0.00 0.00 43.42 39.45 2zua n LEU 33 CO 0.00 -0.47 -0.39 -0.75 -1.33 0.00 0.00 177.39 174.45 2zua s LYS 34 N -2.06 3.53 -0.02 3.23 2.20 0.98 -4.30 119.74 123.29 2zua s LYS 34 Ca 0.58 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 2zua s LYS 34 Cb -0.53 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2zua s LYS 34 CO 0.61 0.16 1.23 1.41 -0.36 0.00 0.00 175.35 178.40 2zua s MET 35 N 0.54 4.36 0.00 4.03 -2.45 -1.26 0.13 119.30 124.64 2zua s MET 35 Ca -0.05 1.74 0.00 0.00 -1.25 0.00 0.00 55.69 56.13 2zua s MET 35 Cb -0.15 -3.51 0.00 0.00 1.25 0.00 0.00 34.83 32.42 2zua s MET 35 CO 0.03 -0.42 0.19 1.33 1.05 0.00 0.00 175.02 177.21 2zua n VAL 36 N 4.45 0.00 -3.76 10.11 0.24 -0.30 -4.93 118.33 124.14 2zua n VAL 36 Ca 0.11 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 2zua n VAL 36 Cb 0.46 1.15 -0.12 0.00 -1.47 0.00 0.00 33.84 33.86 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 -0.33 -0.20 -0.20 7.63 0.00 -1.03 -1.42 107.32 111.76 2zua s GLY 37 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 44.72 45.47 2zua s GLY 37 CO 0.00 0.88 0.50 -0.32 0.00 0.00 0.00 173.10 174.16 2zua s GLY 38 N 0.51 -0.41 -0.26 0.20 0.00 -1.26 -0.40 107.32 105.69 2zua s GLY 38 Ca -0.03 1.72 -0.05 0.00 0.00 0.00 0.00 44.72 46.37 2zua s GLY 38 CO -0.03 1.75 0.51 1.25 0.00 0.00 0.00 173.10 176.59 2zua s LYS 39 N 1.19 0.46 -0.34 2.90 2.20 0.26 -5.00 119.74 121.41 2zua s LYS 39 Ca -0.07 0.98 -0.26 0.00 -0.36 0.00 0.00 55.97 56.26 2zua s LYS 39 Cb -0.06 0.29 0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2zua s LYS 39 CO -0.11 -0.46 0.91 0.12 -0.36 0.00 0.00 175.35 175.44 2zua s PHE 40 N 2.73 3.13 0.18 4.03 5.36 -1.26 -1.51 117.98 130.64 2zua s PHE 40 Ca 0.08 0.86 -0.09 0.00 -0.96 0.00 0.00 56.93 56.82 2zua s PHE 40 Cb -0.14 -3.51 -0.01 0.00 -0.34 0.00 0.00 43.02 39.02 2zua s PHE 40 CO -0.17 -0.73 0.32 0.00 -1.46 0.00 0.00 175.22 173.18 2zua s MET 41 N 3.33 1.23 -0.32 10.12 0.23 -0.57 -5.00 119.30 128.32 2zua s MET 41 Ca 0.37 -1.20 -0.01 0.00 -1.03 0.00 0.00 55.69 53.83 2zua s MET 41 Cb -0.13 0.39 0.07 0.00 -1.53 0.00 0.00 34.83 33.63 2zua s MET 41 CO 0.16 -0.46 0.03 -1.14 -2.03 0.00 0.00 175.02 171.57 2zua s GLN 42 N -3.98 2.21 0.30 3.16 2.00 -1.26 -0.18 119.66 121.89 2zua s GLN 42 Ca 0.19 -1.46 -0.30 0.00 -2.00 0.00 0.00 55.36 51.80 2zua s GLN 42 Cb 0.03 -3.22 -0.11 0.00 0.80 0.00 0.00 33.01 30.51 2zua s GLN 42 CO 0.02 -0.74 1.52 0.42 -0.50 0.00 0.00 175.29 176.02 2zua s ILE 43 N 1.17 2.26 0.65 -2.34 1.01 -1.26 -5.03 121.20 117.66 2zua s ILE 43 Ca -0.01 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2zua s ILE 43 Cb -0.20 -3.14 0.11 0.00 0.01 0.00 0.00 42.46 39.23 2zua s ILE 43 CO -0.03 0.04 0.90 1.51 0.00 0.00 0.00 174.94 177.36 2zua s ASP 44 N 0.31 4.69 0.10 3.58 1.47 -1.26 -4.74 116.67 120.82 2zua s ASP 44 Ca 0.60 -0.53 -0.28 0.00 1.18 0.00 0.00 52.55 53.53 2zua s ASP 44 Cb -0.46 0.05 -0.12 0.00 -0.34 0.00 0.00 42.92 42.05 2zua s ASP 44 CO 0.49 -1.62 1.66 1.56 0.68 0.00 0.00 175.17 177.94 2zua h GLN 45 N -0.22 -0.46 -0.53 2.11 1.08 -1.96 -0.57 115.11 114.57 2zua h GLN 45 Ca -0.34 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 56.99 2zua h GLN 45 Cb 1.28 0.10 -0.09 0.00 -0.05 0.00 0.00 27.48 28.72 2zua h GLN 45 CO 0.41 -0.31 0.01 1.05 -0.95 0.00 0.00 178.83 179.04 2zua h GLU 46 N -0.48 0.12 -0.19 1.46 4.11 -1.99 0.94 114.58 118.55 2zua h GLU 46 Ca -0.01 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 2zua h GLU 46 Cb 0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2zua h GLU 46 CO -0.04 0.08 -0.26 1.25 0.07 0.00 0.00 179.01 180.11 2zua h LEU 47 N 0.13 0.56 -0.20 3.06 5.85 -1.93 -1.32 115.31 121.45 2zua h LEU 47 Ca 0.27 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2zua h LEU 47 Cb 0.41 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2zua h LEU 47 CO -0.44 0.96 -0.02 0.00 -0.34 0.00 0.00 178.44 178.60 2zua h ALA 48 N 0.62 0.16 -0.09 1.25 0.00 -0.42 0.22 119.26 121.00 2zua h ALA 48 Ca 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2zua h ALA 48 Cb 0.83 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2zua h ALA 48 CO 0.06 -0.45 -0.38 0.93 0.00 0.00 0.00 179.25 179.41 2zua h GLU 49 N 0.04 0.20 -0.38 0.00 5.08 -0.83 -1.42 114.58 117.27 2zua h GLU 49 Ca 0.10 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2zua h GLU 49 Cb 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2zua h GLU 49 CO -0.18 0.56 -0.40 1.49 -1.00 0.00 0.00 179.01 179.47 2zua h GLU 50 N 0.17 0.93 -0.75 2.33 4.81 -0.97 -2.78 114.58 118.31 2zua h GLU 50 Ca 0.02 -0.50 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2zua h GLU 50 Cb 0.75 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 2zua h GLU 50 CO 0.06 1.16 0.37 1.25 -0.73 0.00 0.00 179.01 181.11 2zua h HIS 51 N 0.76 1.07 -0.92 0.92 2.76 -0.13 -3.10 115.15 116.51 2zua h HIS 51 Ca 0.06 -0.05 -0.53 0.00 -2.20 0.00 0.00 60.37 57.65 2zua h HIS 51 Cb 1.00 -0.33 -0.29 0.00 1.55 0.00 0.00 27.41 29.34 2zua h HIS 51 CO 0.06 0.78 0.60 0.66 -1.30 0.00 0.00 177.93 178.73 2zua n TYR 52 N -4.41 2.91 -0.15 5.26 4.01 -0.57 -4.71 117.16 119.49 2zua n TYR 52 Ca 0.07 -2.18 0.02 0.00 -0.16 0.00 0.00 57.90 55.64 2zua n TYR 52 Cb 0.13 -1.03 0.31 0.00 -0.31 0.00 0.00 39.34 38.43 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 1.33 0.91 1.87 2.72 0.00 -1.41 0.16 103.07 108.65 2zua h GLY 53 Ca 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2zua h GLY 53 CO 1.17 0.32 0.06 1.05 0.00 0.00 0.00 176.54 179.14 2zua h GLU 54 N 0.86 0.00 -0.39 4.80 9.09 -1.87 -2.14 114.58 124.93 2zua h GLU 54 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.65 2zua h GLU 54 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 2zua h GLU 54 CO -0.06 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.72 2zua n HIS 55 N -2.69 0.98 -0.17 2.06 8.25 0.04 -4.75 115.22 118.95 2zua n HIS 55 Ca -0.02 -0.70 -0.03 0.00 -0.26 0.00 0.00 57.72 56.71 2zua n HIS 55 Cb 0.11 -0.23 0.04 0.00 1.12 0.00 0.00 29.99 31.04 2zua n HIS 55 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2zua h GLU 56 N 2.48 0.01 0.00 -0.41 5.08 -1.43 -2.47 114.58 117.84 2zua h GLU 56 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2zua h GLU 56 Cb 1.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2zua h GLU 56 CO 0.17 0.00 -0.27 -0.25 -1.00 0.00 0.00 179.01 177.67 2zua n ASP 57 N -5.36 0.53 -4.75 1.42 9.92 -1.26 -4.86 116.55 112.18 2zua n ASP 57 Ca 0.05 0.28 -0.41 0.00 -0.53 0.00 0.00 54.79 54.19 2zua n ASP 57 Cb 0.28 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.46 2zua n ASP 57 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2zua s LYS 58 N -3.08 4.51 0.28 -1.24 3.01 -0.93 -4.95 119.74 117.34 2zua s LYS 58 Ca 0.10 1.96 0.01 0.00 -1.01 0.00 0.00 55.97 57.03 2zua s LYS 58 Cb 0.15 -3.17 0.62 0.00 -1.01 0.00 0.00 37.83 34.42 2zua s LYS 58 CO 0.63 -0.00 1.74 -1.00 0.51 0.00 0.00 175.35 177.23 2zua h PRO 59 N 4.15 0.52 0.00 -1.68 0.13 -1.89 -2.55 132.00 130.68 2zua h PRO 59 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2zua h PRO 59 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2zua h PRO 59 CO 0.69 0.34 0.00 1.97 -0.23 0.00 0.00 178.00 180.77 2zua n PHE 60 N -4.94 0.00 -0.16 1.56 1.16 -1.26 -4.15 117.46 109.67 2zua n PHE 60 Ca 0.19 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.73 2zua n PHE 60 Cb 0.53 -0.34 0.02 0.00 -1.61 0.00 0.00 39.48 38.08 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 -0.62 -0.51 2.97 3.57 -1.66 -2.16 116.94 118.54 2zua h PHE 61 Ca 0.00 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2zua h PHE 61 Cb 0.26 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2zua h PHE 61 CO 0.00 -0.32 0.11 0.38 -2.23 0.00 0.00 178.31 176.25 2zua h ASP 62 N -0.12 0.73 -0.57 0.41 -0.00 -1.83 -1.06 116.42 113.98 2zua h ASP 62 Ca 0.23 -0.13 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 2zua h ASP 62 Cb 0.49 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.60 2zua h ASP 62 CO -0.58 0.73 0.01 1.23 -0.00 0.00 0.00 179.24 180.63 2zua h GLY 63 N 0.95 1.10 0.99 7.15 0.00 -1.75 -0.22 103.07 111.29 2zua h GLY 63 Ca 0.17 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2zua h GLY 63 CO 0.00 0.73 0.27 -2.00 0.00 0.00 0.00 176.54 175.54 2zua h LEU 64 N 0.94 0.79 -0.63 3.11 5.85 -1.01 -1.68 115.31 122.68 2zua h LEU 64 Ca 0.17 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 2zua h LEU 64 Cb 0.53 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2zua h LEU 64 CO 0.03 0.71 -0.08 0.58 -0.34 0.00 0.00 178.44 179.34 2zua h VAL 65 N 0.81 1.27 -0.51 1.05 2.07 -0.96 -2.79 116.25 117.19 2zua h VAL 65 Ca 0.20 -1.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 2zua h VAL 65 Cb 0.15 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2zua h VAL 65 CO -0.02 0.43 -0.01 0.44 0.02 0.00 0.00 177.57 178.43 2zua h ASP 66 N 0.89 0.83 -0.06 0.57 3.32 -0.77 -2.26 116.42 118.95 2zua h ASP 66 Ca 0.15 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2zua h ASP 66 Cb 0.63 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2zua h ASP 66 CO 0.04 0.90 -0.06 0.15 -1.72 0.00 0.00 179.24 178.56 2zua h PHE 67 N 0.80 0.17 0.00 4.55 3.57 -1.27 -0.29 116.94 124.47 2zua h PHE 67 Ca 0.15 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2zua h PHE 67 Cb 0.49 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2zua h PHE 67 CO 0.03 0.59 0.00 1.51 -2.23 0.00 0.00 178.31 178.21 2zua n ILE 68 N -4.74 1.16 0.00 1.41 0.00 -1.06 -1.13 119.36 115.00 2zua n ILE 68 Ca -0.08 0.29 0.10 0.00 0.00 0.00 0.00 62.75 63.07 2zua n ILE 68 Cb 0.29 -1.08 -0.15 0.00 0.00 0.00 0.00 39.64 38.71 2zua n ILE 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2zua n THR 69 N -1.50 0.14 0.29 9.51 -1.04 -0.85 -4.60 114.28 116.22 2zua n THR 69 Ca 0.03 -0.52 0.16 0.00 -2.04 0.00 0.00 64.05 61.68 2zua n THR 69 Cb 0.14 -0.07 0.86 0.00 -1.82 0.00 0.00 70.33 69.45 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 -5.24 8.00 4.64 0.52 -3.45 113.55 118.02 2zua h SER 70 Ca -0.02 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.50 2zua h SER 70 Cb 1.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.03 2zua h SER 70 CO 0.00 0.06 0.58 -0.83 -0.87 0.00 0.00 176.83 175.77 2zua s GLY 71 N -4.17 -0.32 0.57 -0.77 0.00 -1.26 -5.11 107.32 96.26 2zua s GLY 71 Ca -0.03 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 45.01 2zua s GLY 71 CO 0.53 0.12 1.09 2.56 0.00 0.00 0.00 173.10 177.39 2zua s PRO 72 N -3.02 3.31 0.33 2.90 0.04 -1.26 -4.58 135.00 132.73 2zua s PRO 72 Ca 0.11 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.65 2zua s PRO 72 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2zua s PRO 72 CO -0.01 -0.84 0.15 0.14 0.04 0.00 0.00 177.00 176.47 2zua s VAL 73 N -2.11 3.12 -0.34 -0.36 -7.23 0.74 -4.28 120.40 109.94 2zua s VAL 73 Ca 0.68 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2zua s VAL 73 Cb -0.20 -3.00 0.09 0.00 0.56 0.00 0.00 36.38 33.83 2zua s VAL 73 CO 0.31 -0.19 0.07 0.12 -0.31 0.00 0.00 175.10 175.10 2zua s PHE 74 N -2.40 3.53 0.03 2.82 5.36 -0.94 -1.51 117.98 124.87 2zua s PHE 74 Ca 0.38 -2.47 -0.18 0.00 -0.96 0.00 0.00 56.93 53.69 2zua s PHE 74 Cb -0.03 -2.71 -0.06 0.00 -0.34 0.00 0.00 43.02 39.87 2zua s PHE 74 CO 0.23 -0.92 0.53 0.00 -1.46 0.00 0.00 175.22 173.60 2zua s ALA 75 N 1.08 3.59 0.08 11.12 0.00 -0.57 -1.28 121.76 135.78 2zua s ALA 75 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2zua s ALA 75 Cb -0.21 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2zua s ALA 75 CO -0.05 0.35 -0.09 -1.64 0.00 0.00 0.00 175.76 174.33 2zua s MET 76 N -0.84 0.74 -0.11 0.00 1.00 0.25 -0.57 119.30 119.77 2zua s MET 76 Ca 0.28 -1.03 0.03 0.00 0.00 0.00 0.00 55.69 54.97 2zua s MET 76 Cb -0.18 -0.45 -0.00 0.00 0.00 0.00 0.00 34.83 34.20 2zua s MET 76 CO 0.17 0.07 -0.22 0.08 0.00 0.00 0.00 175.02 175.12 2zua s VAL 77 N -2.13 2.18 0.03 -6.03 1.01 0.46 -1.15 120.40 114.78 2zua s VAL 77 Ca 0.01 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.10 2zua s VAL 77 Cb -0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2zua s VAL 77 CO -0.00 0.55 -0.24 0.26 0.00 0.00 0.00 175.10 175.67 2zua s TRP 78 N 0.43 2.38 -0.04 5.22 0.52 -0.88 -1.14 118.94 125.43 2zua s TRP 78 Ca -0.16 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.64 2zua s TRP 78 Cb -0.17 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 2zua s TRP 78 CO 0.07 0.12 -0.21 -2.00 0.02 0.00 0.00 176.95 174.95 2zua s GLU 79 N -1.14 2.09 0.00 4.98 2.12 0.34 -2.37 118.70 124.72 2zua s GLU 79 Ca 0.12 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.69 2zua s GLU 79 Cb -0.10 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.46 2zua s GLU 79 CO 0.02 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.49 2zua n GLY 80 N 2.95 1.65 3.66 -1.50 0.00 -0.75 -0.02 105.19 111.18 2zua n GLY 80 Ca -0.17 -0.88 -0.50 0.00 0.00 0.00 0.00 46.02 44.46 2zua n GLY 80 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2zua n GLN 81 N -0.56 1.70 -2.63 1.61 7.27 -1.17 -1.97 117.38 121.63 2zua n GLN 81 Ca 0.00 0.62 -0.16 0.00 0.07 0.00 0.00 57.00 57.53 2zua n GLN 81 Cb 0.00 -2.35 -0.00 0.00 2.41 0.00 0.00 30.24 30.29 2zua n GLN 81 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2zua n ASP 82 N 4.18 -4.26 -0.29 1.69 2.03 -1.26 -4.86 116.55 113.78 2zua n ASP 82 Ca 0.20 0.04 0.10 0.00 0.52 0.00 0.00 54.79 55.65 2zua n ASP 82 Cb 0.23 -3.58 0.25 0.00 -0.72 0.00 0.00 41.12 37.31 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 1.00 1.28 0.05 -1.67 0.00 -1.66 -1.27 119.26 116.98 2zua h ALA 83 Ca -0.36 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2zua h ALA 83 Cb 1.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2zua h ALA 83 CO 0.42 -0.27 -0.02 1.15 0.00 0.00 0.00 179.25 180.52 2zua h THR 84 N 0.43 1.08 -0.24 0.00 2.02 -1.86 0.70 112.91 115.03 2zua h THR 84 Ca 0.50 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 2zua h THR 84 Cb 0.86 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2zua h THR 84 CO -0.48 0.10 0.09 -0.09 0.37 0.00 0.00 175.52 175.52 2zua h ARG 85 N -0.25 0.37 -0.56 6.66 2.43 -1.86 -3.06 114.38 118.11 2zua h ARG 85 Ca -0.01 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2zua h ARG 85 Cb 0.22 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2zua h ARG 85 CO 0.01 0.43 0.31 1.96 -1.51 0.00 0.00 179.97 181.17 2zua h GLN 86 N 0.24 0.57 -0.80 0.20 1.08 -0.87 -0.43 115.11 115.11 2zua h GLN 86 Ca 0.08 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2zua h GLN 86 Cb 0.21 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 2zua h GLN 86 CO -0.00 0.38 0.43 0.28 -0.95 0.00 0.00 178.83 178.96 2zua h VAL 87 N 0.59 1.24 -0.25 -0.54 2.07 -0.92 -0.88 116.25 117.55 2zua h VAL 87 Ca 0.24 -0.60 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 2zua h VAL 87 Cb 0.11 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2zua h VAL 87 CO -0.15 0.27 -0.32 0.03 0.02 0.00 0.00 177.57 177.42 2zua h ARG 88 N 1.12 0.54 -0.61 1.57 3.08 -1.11 -1.19 114.38 117.77 2zua h ARG 88 Ca 0.28 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2zua h ARG 88 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2zua h ARG 88 CO -0.04 0.80 0.24 1.15 -1.07 0.00 0.00 179.97 181.05 2zua h THR 89 N 0.46 1.23 -0.28 2.04 2.02 -0.60 -3.05 112.91 114.74 2zua h THR 89 Ca 0.05 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 2zua h THR 89 Cb 0.79 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2zua h THR 89 CO 0.06 0.28 -0.10 0.24 0.37 0.00 0.00 175.52 176.38 2zua h MET 90 N 0.86 0.45 0.01 6.66 2.86 -0.66 -3.07 114.93 122.04 2zua h MET 90 Ca 0.20 -0.12 -0.20 0.00 -2.06 0.00 0.00 59.70 57.53 2zua h MET 90 Cb 0.21 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2zua h MET 90 CO -0.02 0.56 -0.92 0.52 1.06 0.00 0.00 176.91 178.12 2zua h MET 91 N 0.42 0.05 0.00 1.72 2.07 -1.20 0.41 114.93 118.41 2zua h MET 91 Ca 0.08 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2zua h MET 91 Cb 0.44 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 2zua h MET 91 CO 0.02 0.93 0.00 0.41 1.07 0.00 0.00 176.91 179.34 2zua n GLY 92 N 1.05 -0.24 3.93 8.32 0.00 -1.16 -1.15 105.19 115.95 2zua n GLY 92 Ca -0.01 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 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 2.55 0.15 1.61 2.56 -1.26 -4.74 118.70 119.57 2zua s GLU 93 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 54.97 54.54 2zua s GLU 93 Cb 0.00 -2.27 0.05 0.00 2.00 0.00 0.00 34.13 33.91 2zua s GLU 93 CO 0.00 -0.92 1.72 1.15 -0.56 0.00 0.00 175.26 176.65 2zua h THR 94 N -0.30 0.79 -3.05 -1.70 2.02 -1.96 -3.38 112.91 105.34 2zua h THR 94 Ca -0.44 -0.04 -0.58 0.00 0.77 0.00 0.00 66.41 66.12 2zua h THR 94 Cb 1.29 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 2zua h THR 94 CO 0.59 0.02 0.81 -0.62 0.37 0.00 0.00 175.52 176.69 2zua s ASP 95 N -5.27 7.07 0.56 4.18 -1.08 -1.26 -4.90 116.67 115.97 2zua s ASP 95 Ca -0.13 1.47 0.24 0.00 -0.52 0.00 0.00 52.55 53.60 2zua s ASP 95 Cb 0.12 -2.54 1.57 0.00 -1.46 0.00 0.00 42.92 40.61 2zua s ASP 95 CO 0.70 -0.68 2.20 -0.65 0.52 0.00 0.00 175.17 177.27 2zua h PRO 96 N 7.60 0.00 0.00 4.34 0.11 -1.80 -2.34 132.00 139.91 2zua h PRO 96 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2zua h PRO 96 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2zua h PRO 96 CO 0.97 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 2zua n ALA 97 N -2.42 2.68 -0.16 -0.75 0.00 -1.26 -2.33 120.51 116.26 2zua n ALA 97 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.23 2zua n ALA 97 Cb 0.10 -1.51 0.02 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.00 2.72 -3.87 0.00 -0.58 -0.89 -5.05 120.64 111.97 2zua n GLU 98 Ca 0.24 -1.63 -0.34 0.00 -0.42 0.00 0.00 57.16 55.01 2zua n GLU 98 Cb 0.11 -1.06 -0.05 0.00 -0.57 0.00 0.00 31.44 29.87 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 -1.24 6.40 0.24 1.62 0.01 -0.98 -4.72 113.70 115.02 2zua s SER 99 Ca 0.04 0.40 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 2zua s SER 99 Cb 0.04 -2.02 -0.08 0.00 0.21 0.00 0.00 66.02 64.16 2zua s SER 99 CO 0.00 0.26 0.73 0.00 0.41 0.00 0.00 173.24 174.65 2zua s ALA 100 N -1.31 3.40 0.36 1.44 0.00 -1.26 -4.59 121.76 119.79 2zua s ALA 100 Ca 0.27 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 2zua s ALA 100 Cb -0.13 -2.82 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 2zua s ALA 100 CO 0.18 0.33 1.47 -2.30 0.00 0.00 0.00 175.76 175.43 2zua n PRO 101 N 0.58 2.58 0.00 0.00 -0.02 -1.26 -1.68 135.00 135.21 2zua n PRO 101 Ca -0.01 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2zua n PRO 101 Cb 0.51 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2zua n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zua n GLY 102 N 0.78 2.15 3.87 -1.23 0.00 -1.26 -5.00 105.19 104.50 2zua n GLY 102 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.23 4.65 0.08 2.61 -4.23 -0.67 -4.95 115.64 110.90 2zua s THR 103 Ca 0.00 0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 61.13 2zua s THR 103 Cb 0.00 -3.85 -0.13 0.00 1.34 0.00 0.00 72.50 69.86 2zua s THR 103 CO 0.00 -1.12 1.68 0.40 -0.54 0.00 0.00 174.62 175.04 2zua h ILE 104 N -0.32 1.08 -0.28 2.99 2.04 -0.84 -1.90 117.51 120.28 2zua h ILE 104 Ca -0.44 -0.23 -0.17 0.00 1.00 0.00 0.00 64.86 65.02 2zua h ILE 104 Cb 1.19 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2zua h ILE 104 CO 0.62 0.07 -0.51 0.03 0.00 0.00 0.00 178.15 178.36 2zua h ARG 105 N 0.02 0.78 0.00 2.37 3.08 -1.40 -1.55 114.38 117.68 2zua h ARG 105 Ca 0.02 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 2zua h ARG 105 Cb 0.08 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2zua h ARG 105 CO -0.00 1.10 -0.04 0.78 -1.07 0.00 0.00 179.97 180.74 2zua h GLY 106 N 0.83 0.00 0.06 0.04 0.00 -1.72 0.73 103.07 103.02 2zua h GLY 106 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 2zua h GLY 106 CO 0.11 0.00 -2.17 1.22 0.00 0.00 0.00 176.54 175.70 2zua n ASP 107 N -3.62 0.05 0.00 0.19 8.00 -0.73 -4.56 116.55 115.89 2zua n ASP 107 Ca -0.02 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2zua n ASP 107 Cb 0.14 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.60 2zua n ASP 107 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2zua n TYR 108 N -2.55 0.00 -4.50 1.24 4.01 -0.60 -5.08 117.16 109.67 2zua n TYR 108 Ca -0.19 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.31 2zua n TYR 108 Cb 0.89 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.82 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 -0.79 2.06 0.00 2.72 0.00 0.24 -4.98 107.32 106.57 2zua s GLY 109 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.69 2zua s GLY 109 CO 0.00 -1.95 0.00 1.04 0.00 0.00 0.00 173.10 172.19 2zua n LEU 110 N -0.72 0.37 -4.75 0.66 4.32 -1.26 -4.75 117.00 110.87 2zua n LEU 110 Ca -0.05 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.59 2zua n LEU 110 Cb 0.64 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.36 2zua n LEU 110 CO 0.42 0.06 -0.26 -0.62 -1.22 0.00 0.00 177.39 175.77 2zua s ASP 111 N -2.77 5.61 0.20 -1.43 2.15 -1.26 -4.20 116.67 114.97 2zua s ASP 111 Ca 0.00 0.23 -0.11 0.00 0.43 0.00 0.00 52.55 53.10 2zua s ASP 111 Cb 0.00 -1.65 0.25 0.00 -0.30 0.00 0.00 42.92 41.22 2zua s ASP 111 CO 0.00 0.37 1.71 0.25 -0.17 0.00 0.00 175.17 177.33 2zua h LEU 112 N 4.92 0.01 -1.10 -1.34 5.85 -1.96 -2.60 115.31 119.10 2zua h LEU 112 Ca -0.52 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2zua h LEU 112 Cb 1.20 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2zua h LEU 112 CO 0.57 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 2zua n GLY 113 N -1.31 0.39 2.27 3.75 0.00 -1.26 -4.18 105.19 104.86 2zua n GLY 113 Ca 0.08 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2zua n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2zua n ARG 114 N 0.37 0.80 -1.03 1.61 3.00 -0.98 -4.99 116.66 115.43 2zua n ARG 114 Ca 0.10 -3.04 -0.14 0.00 -0.00 0.00 0.00 57.85 54.77 2zua n ARG 114 Cb 0.25 -1.35 0.19 0.00 0.00 0.00 0.00 32.46 31.55 2zua n ARG 114 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2zua n ASN 115 N 1.11 3.14 0.00 6.15 6.94 -1.24 -4.30 115.26 127.05 2zua n ASN 115 Ca 0.20 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 51.05 2zua n ASN 115 Cb 0.58 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 -1.13 0.00 -3.66 3.53 0.24 -1.26 -4.80 118.33 111.25 2zua n VAL 116 Ca 0.46 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.64 2zua n VAL 116 Cb 1.33 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.06 0.00 1.34 2.07 -1.26 -0.74 121.20 122.67 2zua s ILE 117 Ca 0.00 -0.48 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 2zua s ILE 117 Cb 0.00 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 2zua s ILE 117 CO 0.00 -0.26 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.35 2zua s HIS 118 N -2.77 1.25 -0.01 3.50 5.65 0.82 -4.86 115.29 118.88 2zua s HIS 118 Ca -0.03 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.02 2zua s HIS 118 Cb -0.00 -0.79 0.00 0.00 -1.18 0.00 0.00 32.58 30.61 2zua s HIS 118 CO -0.04 -0.01 -0.02 0.20 -0.65 0.00 0.00 174.74 174.22 2zua s GLY 119 N -0.51 0.15 0.21 1.59 0.00 -1.26 -0.48 107.32 107.01 2zua s GLY 119 Ca 0.05 -0.05 -0.32 0.00 0.00 0.00 0.00 44.72 44.40 2zua s GLY 119 CO -0.00 0.06 1.18 1.44 0.00 0.00 0.00 173.10 175.78 2zua n SER 120 N 3.25 1.63 -4.65 1.64 7.64 -0.29 -4.89 113.62 117.95 2zua n SER 120 Ca -0.16 1.15 -0.43 0.00 1.01 0.00 0.00 58.87 60.45 2zua n SER 120 Cb 0.57 -1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 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 -0.05 6.88 0.51 6.43 -1.08 -1.26 -4.83 116.67 123.26 2zua s ASP 121 Ca 0.69 1.58 0.32 0.00 -0.52 0.00 0.00 52.55 54.62 2zua s ASP 121 Cb -0.78 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 39.40 2zua s ASP 121 CO 0.53 -0.84 1.93 1.12 0.52 0.00 0.00 175.17 178.43 2zua h HIS 122 N 8.47 0.00 0.00 -5.34 2.07 -1.90 -3.01 115.15 115.44 2zua h HIS 122 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 2zua h HIS 122 Cb 1.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.08 2zua h HIS 122 CO 0.82 0.00 -0.45 0.39 -3.07 0.00 0.00 177.93 175.62 2zua n GLU 123 N -2.98 0.12 -3.15 5.12 1.02 -1.26 -4.41 120.64 115.10 2zua n GLU 123 Ca 0.01 0.04 -0.45 0.00 -0.02 0.00 0.00 57.16 56.74 2zua n GLU 123 Cb 0.31 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 2zua n GLU 123 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2zua s ASP 124 N -3.53 6.85 -0.03 1.62 -1.08 -1.14 -5.02 116.67 114.35 2zua s ASP 124 Ca 0.10 -2.67 -0.34 0.00 -0.52 0.00 0.00 52.55 49.11 2zua s ASP 124 Cb 0.16 -2.30 -0.12 0.00 -1.46 0.00 0.00 42.92 39.20 2zua s ASP 124 CO 0.68 -0.71 1.80 -1.84 0.52 0.00 0.00 175.17 175.62 2zua n GLU 125 N 4.82 2.16 -0.07 4.34 0.00 -1.26 -0.16 120.64 130.47 2zua n GLU 125 Ca 0.22 0.79 0.00 0.00 0.00 0.00 0.00 57.16 58.17 2zua n GLU 125 Cb 0.46 -2.61 0.00 0.00 0.00 0.00 0.00 31.44 29.28 2zua n GLU 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2zua n GLY 126 N 4.15 0.86 0.22 -1.84 0.00 -1.26 -4.95 105.19 102.36 2zua n GLY 126 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 0.69 -0.62 4.61 0.00 -0.79 -2.19 119.26 120.97 2zua h ALA 127 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2zua h ALA 127 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2zua h ALA 127 CO 0.00 -0.14 0.27 -2.95 0.00 0.00 0.00 179.25 176.42 2zua h ASN 128 N 0.45 0.31 -0.24 0.00 -1.07 -1.80 -0.96 115.58 112.27 2zua h ASN 128 Ca 0.26 0.07 -0.01 0.00 0.07 0.00 0.00 56.30 56.68 2zua h ASN 128 Cb 0.24 0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.50 2zua h ASN 128 CO -0.22 0.19 0.09 -0.33 0.07 0.00 0.00 177.43 177.23 2zua h GLU 129 N 0.47 0.36 -0.57 4.14 4.39 -1.71 -0.29 114.58 121.38 2zua h GLU 129 Ca 0.31 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.96 2zua h GLU 129 Cb 0.34 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2zua h GLU 129 CO -0.28 0.41 0.37 0.00 -1.16 0.00 0.00 179.01 178.35 2zua h ARG 130 N 0.24 0.72 -0.35 2.33 3.08 -1.05 0.08 114.38 119.43 2zua h ARG 130 Ca 0.08 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 2zua h ARG 130 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2zua h ARG 130 CO -0.01 0.47 -0.04 0.93 -1.07 0.00 0.00 179.97 180.25 2zua h GLU 131 N 0.74 0.64 0.22 0.04 5.08 -1.06 -0.58 114.58 119.66 2zua h GLU 131 Ca 0.22 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2zua h GLU 131 Cb -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2zua h GLU 131 CO -0.07 0.78 -0.18 0.82 -1.00 0.00 0.00 179.01 179.36 2zua h ILE 132 N 0.44 0.61 -0.05 3.13 2.04 -0.72 -2.07 117.51 120.89 2zua h ILE 132 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 2zua h ILE 132 Cb 0.52 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2zua h ILE 132 CO 0.03 0.00 -0.18 1.05 0.00 0.00 0.00 178.15 179.04 2zua h GLU 133 N -0.41 0.08 -0.56 2.37 -0.00 -0.88 0.23 114.58 115.41 2zua h GLU 133 Ca -0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.28 2zua h GLU 133 Cb 0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.09 2zua h GLU 133 CO -0.02 0.26 0.11 1.25 -0.00 0.00 0.00 179.01 180.62 2zua h LEU 134 N 0.07 0.81 0.00 3.06 5.85 -0.83 -3.32 115.31 120.96 2zua h LEU 134 Ca 0.01 -0.16 -0.37 0.00 0.84 0.00 0.00 57.88 58.21 2zua h LEU 134 Cb 0.37 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2zua h LEU 134 CO 0.03 0.81 -2.37 0.49 -0.34 0.00 0.00 178.44 177.06 2zua n PHE 135 N -4.26 0.05 -5.20 1.25 3.01 -0.72 -4.95 117.46 106.64 2zua n PHE 135 Ca 0.04 0.02 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 2zua n PHE 135 Cb 0.24 -1.01 -0.16 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 -2.50 2.29 0.42 1.38 0.08 0.74 -5.11 117.98 115.28 2zua s PHE 136 Ca -0.12 -0.64 -0.23 0.00 0.12 0.00 0.00 56.93 56.06 2zua s PHE 136 Cb 0.06 -1.51 -0.09 0.00 -0.57 0.00 0.00 43.02 40.91 2zua s PHE 136 CO 0.81 -0.18 1.01 -0.51 -0.10 0.00 0.00 175.22 176.24 2zua s ASP 137 N -0.20 6.77 0.38 1.36 1.01 -1.26 -4.32 116.67 120.41 2zua s ASP 137 Ca -0.02 1.90 0.19 0.00 0.71 0.00 0.00 52.55 55.33 2zua s ASP 137 Cb -0.13 -2.57 1.18 0.00 1.01 0.00 0.00 42.92 42.41 2zua s ASP 137 CO 0.03 -0.48 1.68 -0.33 0.21 0.00 0.00 175.17 176.27 2zua h GLU 138 N 2.20 0.27 0.00 8.23 5.08 -1.96 0.22 114.58 128.63 2zua h GLU 138 Ca -0.49 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2zua h GLU 138 Cb 1.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2zua h GLU 138 CO 0.61 0.18 -0.14 0.38 -1.00 0.00 0.00 179.01 179.05 2zua h ASP 139 N 0.28 0.00 1.09 1.42 2.03 -2.03 -2.52 116.42 116.69 2zua h ASP 139 Ca 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 57.03 2zua h ASP 139 Cb 1.86 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.36 2zua h ASP 139 CO -0.50 0.14 0.00 -0.62 -1.03 0.00 0.00 179.24 177.23 2zua n GLU 140 N -3.94 0.17 -3.39 4.15 1.02 0.76 -4.80 120.64 114.61 2zua n GLU 140 Ca -0.02 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 2zua n GLU 140 Cb 0.23 -1.74 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 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 -4.10 4.11 -0.11 -4.62 1.43 -0.95 -4.73 118.68 109.71 2zua s LEU 141 Ca 0.09 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2zua s LEU 141 Cb 0.12 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.83 2zua s LEU 141 CO 0.50 -0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 176.17 2zua s VAL 142 N -1.98 1.04 -0.31 -1.59 1.01 -0.51 -5.04 120.40 113.03 2zua s VAL 142 Ca 0.44 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 2zua s VAL 142 Cb -0.11 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 2zua s VAL 142 CO 0.27 0.37 0.70 -0.62 0.00 0.00 0.00 175.10 175.82 2zua s ASP 143 N 1.65 6.56 0.36 3.32 -1.08 -1.26 -4.75 116.67 121.48 2zua s ASP 143 Ca 0.04 0.52 -0.05 0.00 -0.52 0.00 0.00 52.55 52.53 2zua s ASP 143 Cb -0.13 -2.36 0.02 0.00 -1.46 0.00 0.00 42.92 38.99 2zua s ASP 143 CO -0.08 -0.54 0.56 -1.66 0.52 0.00 0.00 175.17 173.97 2zua s TRP 144 N 2.77 0.87 -0.13 -5.34 1.48 -1.26 -5.15 118.94 112.17 2zua s TRP 144 Ca 0.28 -1.20 0.01 0.00 -1.06 0.00 0.00 56.10 54.13 2zua s TRP 144 Cb -0.15 0.14 0.02 0.00 -1.16 0.00 0.00 33.47 32.33 2zua s TRP 144 CO 0.12 -1.26 -0.13 -0.51 -4.06 0.00 0.00 176.95 171.11 2zua s ASP 145 N -3.21 2.53 -0.23 -2.66 1.01 -1.26 -5.10 116.67 107.75 2zua s ASP 145 Ca 0.27 -0.44 -0.21 0.00 0.71 0.00 0.00 52.55 52.88 2zua s ASP 145 Cb -0.02 -1.09 -0.02 0.00 1.01 0.00 0.00 42.92 42.80 2zua s ASP 145 CO 0.19 -0.05 0.66 -1.58 0.21 0.00 0.00 175.17 174.59 2zua s GLN 146 N 1.41 4.17 0.00 8.23 0.74 -1.26 -4.95 119.66 128.00 2zua s GLN 146 Ca 0.02 0.63 0.00 0.00 0.05 0.00 0.00 55.36 56.06 2zua s GLN 146 Cb -0.13 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.36 2zua s GLN 146 CO -0.08 -0.35 0.00 -0.89 -0.55 0.00 0.00 175.29 173.42 2zua n ILE 147 N 4.97 0.00 -0.31 -2.34 2.08 -1.26 0.38 119.36 122.89 2zua n ILE 147 Ca -0.00 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.38 2zua n ILE 147 Cb 0.49 0.00 0.28 0.00 -0.75 0.00 0.00 39.64 39.66 2zua n ILE 147 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2zua h ASP 148 N 0.00 0.83 -0.93 4.38 3.32 -1.96 -3.28 116.42 118.78 2zua h ASP 148 Ca 0.00 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.32 2zua h ASP 148 Cb 0.00 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 39.28 2zua h ASP 148 CO 0.00 0.47 0.45 -1.28 -1.72 0.00 0.00 179.24 177.17 2zua h SER 149 N 0.91 0.42 0.60 6.45 0.87 -0.43 0.17 113.55 122.55 2zua h SER 149 Ca 0.44 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 2zua h SER 149 Cb 0.45 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2zua h SER 149 CO -0.20 -0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 174.82 2zua h SER 150 N 0.42 0.00 -0.00 6.23 0.87 -1.75 -2.59 113.55 116.72 2zua h SER 150 Ca 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 2zua h SER 150 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2zua h SER 150 CO -0.53 0.00 -0.39 0.79 -0.53 0.00 0.00 176.83 176.17 2zua n TRP 151 N -2.77 0.00 0.00 2.24 7.02 0.50 -4.54 117.44 119.89 2zua n TRP 151 Ca -0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2zua n TRP 151 Cb 0.20 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.96 2zua n TRP 151 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2zua h LEU 152 N 0.52 0.03 -8.68 -0.99 3.38 -0.89 -3.48 115.31 105.20 2zua h LEU 152 Ca 0.00 -0.06 -0.60 0.00 0.09 0.00 0.00 57.88 57.32 2zua h LEU 152 Cb 0.30 -0.01 -0.23 0.00 0.09 0.00 0.00 40.66 40.81 2zua h LEU 152 CO 0.00 1.05 -0.84 -0.31 0.09 0.00 0.00 178.44 178.43 2zua s TYR 153 N -2.62 1.92 -1.89 1.13 2.02 -1.03 -5.08 117.35 111.80 2zua s TYR 153 Ca -0.04 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 2zua s TYR 153 Cb 0.08 -1.09 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 2zua s TYR 153 CO 0.82 0.18 0.47 -1.91 -1.57 0.00 0.00 175.55 173.55