#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwq s ILE -3 N 0.00 -0.30 0.05 4.25 1.10 -1.26 -5.17 121.20 119.86 1dwq s ILE -3 Ca 0.00 0.27 -0.03 0.00 -0.51 0.00 0.00 60.65 60.38 1dwq s ILE -3 Cb 0.00 -0.39 -0.04 0.00 0.15 0.00 0.00 42.46 42.17 1dwq s ILE -3 CO 0.00 0.11 0.25 -0.94 -2.11 0.00 0.00 174.94 172.25 1dwq s SER -2 N 2.14 6.42 0.04 4.50 1.04 -1.26 -5.15 113.70 121.44 1dwq s SER -2 Ca -0.01 0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1dwq s SER -2 Cb -0.12 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 63.96 1dwq s SER -2 CO -0.08 0.18 -0.21 -0.75 0.98 0.00 0.00 173.24 173.36 1dwq s LYS -1 N -2.26 1.44 -0.02 4.02 2.20 -1.26 -5.14 119.74 118.72 1dwq s LYS -1 Ca 0.33 -0.95 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1dwq s LYS -1 Cb -0.13 -1.55 0.02 0.00 -1.51 0.00 0.00 37.83 34.66 1dwq s LYS -1 CO 0.23 0.40 -0.02 1.41 -0.36 0.00 0.00 175.35 177.01 1dwq s MET 1 N -1.16 0.41 0.06 4.03 1.75 -1.26 -4.96 119.30 118.17 1dwq s MET 1 Ca 0.08 -0.03 0.07 0.00 -1.25 0.00 0.00 55.69 54.56 1dwq s MET 1 Cb -0.09 -0.50 -0.03 0.00 2.84 0.00 0.00 34.83 37.06 1dwq s MET 1 CO 0.02 -0.05 -0.20 0.08 -0.65 0.00 0.00 175.02 174.22 1dwq s VAL 2 N 0.65 1.59 0.12 10.11 1.01 -1.26 -5.00 120.40 127.62 1dwq s VAL 2 Ca -0.07 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 60.70 1dwq s VAL 2 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1dwq s VAL 2 CO -0.01 0.11 0.10 0.42 0.00 0.00 0.00 175.10 175.73 1dwq s THR 3 N -0.90 4.51 0.25 3.92 -4.23 -1.26 -4.59 115.64 113.34 1dwq s THR 3 Ca 0.06 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1dwq s THR 3 Cb -0.09 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1dwq s THR 3 CO 0.02 0.02 0.18 0.00 -0.54 0.00 0.00 174.62 174.30 1dwq s ALA 4 N -1.55 1.50 -0.24 3.99 0.00 -1.26 -5.00 121.76 119.20 1dwq s ALA 4 Ca 0.30 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 1dwq s ALA 4 Cb -0.11 1.38 0.03 0.00 0.00 0.00 0.00 23.12 24.41 1dwq s ALA 4 CO 0.23 -0.60 -0.08 -1.58 0.00 0.00 0.00 175.76 173.73 1dwq s HIS 5 N -3.86 3.05 -0.16 0.00 5.65 -1.26 -0.79 115.29 117.92 1dwq s HIS 5 Ca 0.39 -1.62 -0.08 0.00 0.25 0.00 0.00 55.06 54.01 1dwq s HIS 5 Cb 0.05 -2.04 -0.04 0.00 -1.18 0.00 0.00 32.58 29.37 1dwq s HIS 5 CO 0.17 -0.75 0.10 -0.06 -0.65 0.00 0.00 174.74 173.56 1dwq s PHE 6 N 1.31 3.41 -0.24 3.88 0.40 -0.44 -0.96 117.98 125.34 1dwq s PHE 6 Ca -0.00 0.32 -0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1dwq s PHE 6 Cb -0.17 -2.03 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 1dwq s PHE 6 CO -0.05 0.42 -0.02 0.08 0.70 0.00 0.00 175.22 176.35 1dwq s VAL 7 N -0.22 3.46 -0.24 -0.44 1.01 0.45 -0.99 120.40 123.44 1dwq s VAL 7 Ca 0.10 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1dwq s VAL 7 Cb -0.12 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1dwq s VAL 7 CO 0.01 0.34 0.28 -0.76 0.00 0.00 0.00 175.10 174.97 1dwq s LEU 8 N 1.47 4.11 -0.19 3.92 1.43 -0.02 -0.75 118.68 128.65 1dwq s LEU 8 Ca 0.05 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1dwq s LEU 8 Cb -0.15 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.79 1dwq s LEU 8 CO -0.02 -0.04 -0.16 -0.63 0.23 0.00 0.00 176.35 175.73 1dwq s ILE 9 N 1.38 1.94 0.91 -0.59 -1.09 0.12 -3.17 121.20 120.70 1dwq s ILE 9 Ca 0.13 -1.00 -0.12 0.00 -2.23 0.00 0.00 60.65 57.43 1dwq s ILE 9 Cb -0.15 -1.84 0.14 0.00 -1.58 0.00 0.00 42.46 39.04 1dwq s ILE 9 CO 0.07 0.39 1.09 -1.38 -1.23 0.00 0.00 174.94 173.89 1dwq s HIS 10 N 1.31 2.32 0.62 3.97 -3.43 -1.26 -1.74 115.29 117.08 1dwq s HIS 10 Ca 0.02 1.18 -0.02 0.00 -0.80 0.00 0.00 55.06 55.44 1dwq s HIS 10 Cb -0.14 -3.19 0.05 0.00 -1.43 0.00 0.00 32.58 27.87 1dwq s HIS 10 CO -0.11 -2.44 0.88 -0.08 -2.00 0.00 0.00 174.74 170.99 1dwq s THR 11 N -2.97 2.48 0.69 -5.38 -1.32 -1.25 -4.49 115.64 103.39 1dwq s THR 11 Ca 0.64 -0.51 -0.17 0.00 -1.21 0.00 0.00 61.69 60.44 1dwq s THR 11 Cb -0.18 -2.97 -0.03 0.00 -1.51 0.00 0.00 72.50 67.81 1dwq s THR 11 CO 0.57 0.00 0.78 2.30 -2.21 0.00 0.00 174.62 176.05 1dwq n ILE 12 N -2.60 2.56 0.00 5.08 -5.35 -1.26 -2.33 119.36 115.46 1dwq n ILE 12 Ca 0.08 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1dwq n ILE 12 Cb 0.60 -0.94 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 1dwq n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dwq n HIS 14 N -1.08 -2.18 -3.24 0.00 8.25 -0.98 -0.42 115.22 115.58 1dwq n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1dwq n HIS 14 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1dwq n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dwq n GLY 15 N 5.00 2.60 0.29 -1.41 0.00 -1.26 -2.52 105.19 107.88 1dwq n GLY 15 Ca 0.00 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.98 1dwq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dwq h ALA 16 N 1.72 1.52 -0.39 4.61 0.00 -1.89 -2.65 119.26 122.17 1dwq h ALA 16 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1dwq h ALA 16 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1dwq h ALA 16 CO 0.00 0.04 0.37 0.11 0.00 0.00 0.00 179.25 179.76 1dwq h TRP 17 N 0.00 0.00 0.00 0.00 5.08 -1.94 -1.51 115.95 117.58 1dwq h TRP 17 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1dwq h TRP 17 Cb 0.08 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.24 1dwq h TRP 17 CO 0.00 0.00 0.00 0.44 -1.28 0.00 0.00 178.44 177.60 1dwq n ILE 18 N -3.94 0.81 0.22 0.12 -6.64 -1.00 -1.65 119.36 107.28 1dwq n ILE 18 Ca 0.07 0.18 0.06 0.00 -1.77 0.00 0.00 62.75 61.29 1dwq n ILE 18 Cb 0.54 -1.07 0.23 0.00 -1.44 0.00 0.00 39.64 37.91 1dwq n ILE 18 CO 0.00 0.00 0.00 0.79 -1.77 0.00 0.00 176.55 175.57 1dwq n TRP 19 N -2.12 0.91 0.35 4.28 7.02 -0.57 -4.37 117.44 122.94 1dwq n TRP 19 Ca 0.03 -0.37 0.14 0.00 -1.02 0.00 0.00 57.50 56.27 1dwq n TRP 19 Cb 0.24 -0.14 0.58 0.00 -2.42 0.00 0.00 31.31 29.57 1dwq n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 1dwq h HIS 20 N 2.67 0.00 0.01 -5.99 2.07 -1.47 0.17 115.15 112.61 1dwq h HIS 20 Ca 0.00 0.00 -0.40 0.00 -2.85 0.00 0.00 60.37 57.12 1dwq h HIS 20 Cb 0.96 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.87 1dwq h HIS 20 CO 0.47 0.00 -2.45 1.63 -3.07 0.00 0.00 177.93 174.51 1dwq n LYS 21 N -2.50 0.65 -0.16 5.12 5.02 -1.26 -4.38 118.16 120.64 1dwq n LYS 21 Ca 0.01 0.18 -0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1dwq n LYS 21 Cb 0.23 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1dwq n LYS 21 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1dwq h LEU 22 N -0.17 0.95 0.05 -0.35 5.85 -1.63 -3.01 115.31 117.00 1dwq h LEU 22 Ca -0.59 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 57.86 1dwq h LEU 22 Cb 1.85 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1dwq h LEU 22 CO -0.14 1.05 -0.26 0.50 -0.34 0.00 0.00 178.44 179.26 1dwq h LYS 23 N 0.86 -0.41 -0.10 1.25 3.64 -1.19 -1.00 116.57 119.63 1dwq h LYS 23 Ca 0.14 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1dwq h LYS 23 Cb 0.62 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1dwq h LYS 23 CO 0.04 -0.27 -0.03 -1.00 -2.27 0.00 0.00 179.45 175.92 1dwq h PRO 24 N -0.42 0.14 -0.67 1.90 0.13 -1.76 -1.58 132.00 129.73 1dwq h PRO 24 Ca 0.05 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.08 1dwq h PRO 24 Cb 0.48 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 1dwq h PRO 24 CO -0.19 0.18 0.10 0.00 -0.23 0.00 0.00 178.00 177.86 1dwq h ALA 25 N 1.84 0.90 -0.11 -0.56 0.00 -1.13 0.54 119.26 120.74 1dwq h ALA 25 Ca 0.03 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1dwq h ALA 25 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dwq h ALA 25 CO 0.00 0.67 -0.65 -0.07 0.00 0.00 0.00 179.25 179.21 1dwq h LEU 26 N 1.04 0.49 -0.86 0.00 3.38 -0.86 -2.47 115.31 116.04 1dwq h LEU 26 Ca 0.20 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1dwq h LEU 26 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1dwq h LEU 26 CO 0.01 1.01 -0.52 -0.33 0.09 0.00 0.00 178.44 178.70 1dwq h GLU 27 N 0.31 0.13 0.00 1.13 5.08 -1.02 -2.46 114.58 117.74 1dwq h GLU 27 Ca -0.02 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1dwq h GLU 27 Cb 1.21 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1dwq h GLU 27 CO 0.11 0.62 -0.09 0.00 -1.00 0.00 0.00 179.01 178.66 1dwq h ARG 28 N 0.10 0.00 0.00 2.33 3.08 -0.41 0.61 114.38 120.09 1dwq h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dwq h ARG 28 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1dwq h ARG 28 CO 0.07 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 1dwq n ALA 29 N -2.45 2.42 -0.23 0.04 0.00 -0.96 -4.91 120.51 114.42 1dwq n ALA 29 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1dwq n ALA 29 Cb 0.17 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1dwq n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dwq n GLY 30 N 1.09 0.70 3.85 0.00 0.00 0.21 -4.99 105.19 106.04 1dwq n GLY 30 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1dwq n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dwq s HIS 31 N -2.32 3.51 -0.19 1.61 3.76 -1.00 -4.75 115.29 115.91 1dwq s HIS 31 Ca 0.00 1.40 -0.18 0.00 -0.15 0.00 0.00 55.06 56.13 1dwq s HIS 31 Cb 0.00 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 1dwq s HIS 31 CO 0.00 -0.51 0.49 0.21 -0.85 0.00 0.00 174.74 174.09 1dwq s LYS 32 N -4.50 4.20 -0.07 1.40 2.36 0.03 -4.35 119.74 118.81 1dwq s LYS 32 Ca 0.57 0.37 0.04 0.00 -2.55 0.00 0.00 55.97 54.41 1dwq s LYS 32 Cb -0.10 -3.55 -0.02 0.00 -1.05 0.00 0.00 37.83 33.11 1dwq s LYS 32 CO 0.40 -0.11 -0.19 0.08 1.55 0.00 0.00 175.35 177.08 1dwq s VAL 33 N 1.51 2.56 -0.17 4.02 1.01 -1.26 -1.33 120.40 126.74 1dwq s VAL 33 Ca 0.23 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1dwq s VAL 33 Cb -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1dwq s VAL 33 CO 0.09 0.57 -0.18 -0.89 0.00 0.00 0.00 175.10 174.70 1dwq s THR 34 N -0.29 1.86 -0.30 3.92 2.01 -0.16 -4.97 115.64 117.71 1dwq s THR 34 Ca 0.01 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1dwq s THR 34 Cb -0.13 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.73 1dwq s THR 34 CO 0.03 0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.46 1dwq s ALA 35 N 1.37 2.81 0.09 7.40 0.00 -1.26 -0.84 121.76 131.32 1dwq s ALA 35 Ca 0.05 -1.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.04 1dwq s ALA 35 Cb -0.13 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 1dwq s ALA 35 CO -0.12 -1.32 0.45 -0.51 0.00 0.00 0.00 175.76 174.26 1dwq s LEU 36 N 1.21 4.36 -0.03 0.00 1.43 -1.19 -4.84 118.68 119.62 1dwq s LEU 36 Ca -0.04 0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1dwq s LEU 36 Cb -0.20 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 1dwq s LEU 36 CO -0.02 0.17 0.42 -1.81 0.23 0.00 0.00 176.35 175.34 1dwq s ASP 37 N -1.67 6.77 0.64 2.29 1.01 -1.26 -4.12 116.67 120.34 1dwq s ASP 37 Ca 0.33 0.92 0.02 0.00 0.71 0.00 0.00 52.55 54.54 1dwq s ASP 37 Cb -0.15 -2.26 0.10 0.00 1.01 0.00 0.00 42.92 41.62 1dwq s ASP 37 CO 0.18 0.25 0.89 -0.04 0.21 0.00 0.00 175.17 176.66 1dwq s MET 38 N -0.68 2.03 0.53 8.23 -1.94 -1.26 -4.70 119.30 121.51 1dwq s MET 38 Ca 0.24 -1.18 -0.22 0.00 -1.71 0.00 0.00 55.69 52.82 1dwq s MET 38 Cb -0.16 -2.45 -0.06 0.00 2.01 0.00 0.00 34.83 34.17 1dwq s MET 38 CO 0.12 -1.12 1.29 0.00 -0.01 0.00 0.00 175.02 175.30 1dwq n ALA 39 N -2.56 1.35 -1.27 3.03 0.00 -0.55 -1.89 120.51 118.62 1dwq n ALA 39 Ca 0.14 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1dwq n ALA 39 Cb 0.61 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 1dwq n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dwq n ALA 40 N -1.00 -0.16 -2.54 0.00 0.00 -1.25 -4.94 120.51 110.63 1dwq n ALA 40 Ca 0.10 0.17 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 1dwq n ALA 40 Cb 0.44 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1dwq n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1dwq s SER 41 N -1.89 3.96 1.20 0.00 0.01 -0.79 -4.71 113.70 111.49 1dwq s SER 41 Ca 0.00 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1dwq s SER 41 Cb 0.00 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.72 1dwq s SER 41 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1dwq n GLY 42 N -0.73 3.38 1.62 3.44 0.00 -1.05 -1.12 105.19 110.73 1dwq n GLY 42 Ca -0.05 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 1dwq n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1dwq n ILE 43 N 0.00 2.83 -2.43 -0.61 -5.35 -1.26 -4.97 119.36 107.57 1dwq n ILE 43 Ca 0.00 -2.36 -0.41 0.00 -0.27 0.00 0.00 62.75 59.71 1dwq n ILE 43 Cb 0.00 -0.38 -0.04 0.00 -1.74 0.00 0.00 39.64 37.48 1dwq n ILE 43 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1dwq s ASP 44 N -1.97 7.16 0.00 7.28 2.15 -0.27 -4.90 116.67 126.12 1dwq s ASP 44 Ca 0.50 2.21 0.24 0.00 0.43 0.00 0.00 52.55 55.92 1dwq s ASP 44 Cb 0.44 -2.61 1.12 0.00 -0.30 0.00 0.00 42.92 41.57 1dwq s ASP 44 CO 0.05 -0.29 1.77 -0.81 -0.17 0.00 0.00 175.17 175.72 1dwq n PRO 45 N 2.19 0.20 -2.83 4.34 -0.04 -1.26 -4.48 135.00 133.13 1dwq n PRO 45 Ca 0.03 0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 1dwq n PRO 45 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1dwq n PRO 45 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1dwq s ARG 46 N -2.74 3.99 0.17 0.54 0.52 -1.26 -5.01 118.95 115.16 1dwq s ARG 46 Ca 0.18 0.80 0.05 0.00 -0.52 0.00 0.00 55.73 56.24 1dwq s ARG 46 Cb 0.16 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1dwq s ARG 46 CO 0.39 -0.03 0.17 -0.65 0.02 0.00 0.00 175.30 175.20 1dwq s GLN 47 N -3.48 2.99 0.58 3.54 -1.52 -1.26 -3.75 119.66 116.75 1dwq s GLN 47 Ca 0.56 -0.85 0.31 0.00 -1.95 0.00 0.00 55.36 53.44 1dwq s GLN 47 Cb -0.10 -2.69 1.76 0.00 -0.22 0.00 0.00 33.01 31.77 1dwq s GLN 47 CO 0.23 0.48 2.20 0.97 -0.25 0.00 0.00 175.29 178.91 1dwq h ILE 48 N 1.91 0.45 0.00 1.08 6.09 -1.91 -2.13 117.51 123.01 1dwq h ILE 48 Ca -0.48 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1dwq h ILE 48 Cb 1.20 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.64 1dwq h ILE 48 CO 0.64 0.04 0.00 -0.62 -3.07 0.00 0.00 178.15 175.14 1dwq n GLU 49 N -3.64 0.03 0.00 2.19 4.71 -1.26 -0.87 120.64 121.80 1dwq n GLU 49 Ca -0.02 0.22 0.12 0.00 -0.01 0.00 0.00 57.16 57.47 1dwq n GLU 49 Cb 0.14 -1.54 0.22 0.00 -1.01 0.00 0.00 31.44 29.25 1dwq n GLU 49 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1dwq n GLN 50 N -1.59 1.52 -3.71 3.49 3.00 -0.80 -4.91 117.38 114.38 1dwq n GLN 50 Ca 0.04 -1.13 -0.37 0.00 -0.01 0.00 0.00 57.00 55.53 1dwq n GLN 50 Cb 0.21 -1.48 -0.06 0.00 0.00 0.00 0.00 30.24 28.91 1dwq n GLN 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1dwq s ILE 51 N -2.26 5.35 -0.75 5.09 -1.09 -0.04 -5.00 121.20 122.50 1dwq s ILE 51 Ca 0.26 0.42 0.06 0.00 -2.23 0.00 0.00 60.65 59.16 1dwq s ILE 51 Cb 0.19 -3.52 0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1dwq s ILE 51 CO 0.44 0.54 0.66 0.59 -1.23 0.00 0.00 174.94 175.95 1dwq n ASN 52 N 2.44 1.42 -3.73 3.58 4.13 -1.26 -4.96 115.26 116.88 1dwq n ASN 52 Ca -0.17 -1.21 -0.06 0.00 1.68 0.00 0.00 54.58 54.82 1dwq n ASN 52 Cb 0.53 0.08 -0.02 0.00 -1.54 0.00 0.00 39.78 38.84 1dwq n ASN 52 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1dwq s SER 53 N -0.61 -0.26 0.37 6.41 1.04 -1.26 -4.91 113.70 114.48 1dwq s SER 53 Ca 0.07 -0.38 0.16 0.00 0.48 0.00 0.00 55.95 56.27 1dwq s SER 53 Cb 0.05 0.56 0.73 0.00 0.10 0.00 0.00 66.02 67.46 1dwq s SER 53 CO 0.09 -1.01 1.79 0.15 0.98 0.00 0.00 173.24 175.25 1dwq h PHE 54 N 2.00 0.00 -0.20 5.02 3.04 -1.89 -0.96 116.94 123.96 1dwq h PHE 54 Ca -0.23 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.70 1dwq h PHE 54 Cb 1.24 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 1dwq h PHE 54 CO 0.37 0.39 0.06 -0.44 -2.02 0.00 0.00 178.31 176.66 1dwq h ASP 55 N 0.00 0.29 -0.95 0.41 5.19 -1.97 -1.63 116.42 117.76 1dwq h ASP 55 Ca -0.00 -0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.23 1dwq h ASP 55 Cb 0.76 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.14 1dwq h ASP 55 CO 0.05 0.43 0.62 -0.33 -3.12 0.00 0.00 179.24 176.89 1dwq h GLU 56 N 0.14 1.17 -0.83 3.56 5.08 -1.85 -2.21 114.58 119.62 1dwq h GLU 56 Ca 0.06 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1dwq h GLU 56 Cb 0.25 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1dwq h GLU 56 CO -0.00 0.77 0.55 -0.92 -1.00 0.00 0.00 179.01 178.41 1dwq h TYR 57 N 1.20 0.94 0.00 4.33 3.20 -1.02 -2.47 116.97 123.15 1dwq h TYR 57 Ca 0.38 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1dwq h TYR 57 Cb 0.00 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.96 1dwq h TYR 57 CO -0.01 0.50 0.00 0.43 -1.64 0.00 0.00 178.16 177.44 1dwq n SER 58 N -4.48 0.00 -0.25 -2.11 7.64 -0.63 -1.48 113.62 112.31 1dwq n SER 58 Ca 0.12 -0.46 0.05 0.00 1.01 0.00 0.00 58.87 59.59 1dwq n SER 58 Cb 0.20 -0.16 0.15 0.00 -1.01 0.00 0.00 64.21 63.39 1dwq n SER 58 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1dwq h GLU 59 N 0.00 0.09 -0.79 1.43 4.22 -1.37 -0.47 114.58 117.68 1dwq h GLU 59 Ca 0.00 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.58 1dwq h GLU 59 Cb 0.14 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1dwq h GLU 59 CO 0.00 0.06 0.52 -1.35 -2.18 0.00 0.00 179.01 176.06 1dwq h PRO 60 N 0.09 0.47 -0.15 0.92 0.11 -1.84 -0.98 132.00 130.62 1dwq h PRO 60 Ca 0.40 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.39 1dwq h PRO 60 Cb 0.70 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1dwq h PRO 60 CO -0.67 0.31 -0.26 1.25 -0.21 0.00 0.00 178.00 178.42 1dwq h LEU 61 N 0.48 0.49 -0.38 2.35 5.85 -1.42 -2.18 115.31 120.51 1dwq h LEU 61 Ca 0.39 -0.54 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 1dwq h LEU 61 Cb 0.83 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1dwq h LEU 61 CO -0.14 0.93 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.57 1dwq h LEU 62 N 0.05 0.88 -0.41 2.25 3.38 -1.01 0.12 115.31 120.57 1dwq h LEU 62 Ca 0.01 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1dwq h LEU 62 Cb 0.84 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1dwq h LEU 62 CO 0.06 1.12 0.15 0.74 0.09 0.00 0.00 178.44 180.60 1dwq h THR 63 N 0.64 0.88 -0.20 0.22 2.02 -1.28 0.32 112.91 115.51 1dwq h THR 63 Ca 0.08 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1dwq h THR 63 Cb 0.82 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1dwq h THR 63 CO 0.07 0.06 0.11 0.15 0.37 0.00 0.00 175.52 176.28 1dwq h PHE 64 N 0.32 0.29 -0.17 3.16 3.57 -1.09 0.83 116.94 123.84 1dwq h PHE 64 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1dwq h PHE 64 Cb 0.17 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1dwq h PHE 64 CO -0.14 0.27 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.98 1dwq h LEU 65 N 0.22 0.27 -0.49 0.59 3.38 -0.35 -1.59 115.31 117.34 1dwq h LEU 65 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dwq h LEU 65 Cb 0.09 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1dwq h LEU 65 CO -0.01 0.46 0.31 -0.08 0.09 0.00 0.00 178.44 179.21 1dwq h GLU 66 N 0.26 0.65 0.00 1.13 4.57 0.03 -2.72 114.58 118.50 1dwq h GLU 66 Ca 0.05 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1dwq h GLU 66 Cb 0.45 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1dwq h GLU 66 CO 0.03 0.46 0.00 1.63 -1.18 0.00 0.00 179.01 179.94 1dwq n LYS 67 N -4.72 0.14 -1.81 1.92 4.01 0.25 -4.89 118.16 113.06 1dwq n LYS 67 Ca 0.02 0.33 -0.41 0.00 -0.51 0.00 0.00 58.31 57.74 1dwq n LYS 67 Cb 0.04 -1.75 -0.02 0.00 -0.51 0.00 0.00 35.03 32.79 1dwq n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1dwq s LEU 68 N -4.04 4.35 0.43 -0.35 1.43 -1.00 -4.93 118.68 114.56 1dwq s LEU 68 Ca 0.06 2.93 -0.24 0.00 -1.03 0.00 0.00 54.13 55.85 1dwq s LEU 68 Cb 0.10 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1dwq s LEU 68 CO 0.40 -0.88 0.95 -2.65 0.23 0.00 0.00 176.35 174.39 1dwq n PRO 69 N 2.02 1.21 -1.67 1.29 -0.02 -1.26 -4.84 135.00 131.74 1dwq n PRO 69 Ca 0.07 0.44 -0.46 0.00 -2.02 0.00 0.00 63.50 61.53 1dwq n PRO 69 Cb 0.38 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1dwq n PRO 69 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1dwq n GLN 70 N 0.11 2.09 -0.99 -0.52 -0.06 -1.26 -0.62 117.38 116.13 1dwq n GLN 70 Ca 0.10 0.75 0.00 0.00 -2.00 0.00 0.00 57.00 55.85 1dwq n GLN 70 Cb 0.40 -2.51 0.00 0.00 -4.06 0.00 0.00 30.24 24.07 1dwq n GLN 70 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1dwq n GLY 71 N 3.24 0.50 3.84 1.69 0.00 -1.26 -4.99 105.19 108.21 1dwq n GLY 71 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1dwq n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dwq s GLU 72 N -0.21 3.69 0.12 1.61 2.12 0.21 -5.09 118.70 121.15 1dwq s GLU 72 Ca 0.00 -0.02 0.07 0.00 0.36 0.00 0.00 54.97 55.39 1dwq s GLU 72 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1dwq s GLU 72 CO 0.00 0.66 -0.18 0.15 -0.54 0.00 0.00 175.26 175.35 1dwq s LYS 73 N -0.74 1.10 0.21 4.30 1.02 -1.26 -4.70 119.74 119.66 1dwq s LYS 73 Ca 0.16 -1.22 0.06 0.00 0.02 0.00 0.00 55.97 55.00 1dwq s LYS 73 Cb -0.13 -1.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.95 1dwq s LYS 73 CO 0.05 0.25 -0.10 0.14 -0.92 0.00 0.00 175.35 174.77 1dwq s VAL 74 N -1.64 1.49 -0.27 3.17 -7.23 0.92 -4.60 120.40 112.24 1dwq s VAL 74 Ca 0.08 -2.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.03 1dwq s VAL 74 Cb -0.08 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 1dwq s VAL 74 CO 0.04 -0.55 0.10 -0.63 -0.31 0.00 0.00 175.10 173.75 1dwq s ILE 75 N -3.12 4.47 -0.25 -0.62 1.01 -0.13 -0.74 121.20 121.82 1dwq s ILE 75 Ca 0.23 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1dwq s ILE 75 Cb 0.02 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1dwq s ILE 75 CO 0.06 0.25 0.40 -0.63 0.00 0.00 0.00 174.94 175.02 1dwq s ILE 76 N 1.62 5.17 -0.18 2.92 1.01 -1.08 -0.41 121.20 130.24 1dwq s ILE 76 Ca 0.06 0.65 -0.05 0.00 0.00 0.00 0.00 60.65 61.31 1dwq s ILE 76 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1dwq s ILE 76 CO 0.05 0.18 -0.01 -0.69 0.00 0.00 0.00 174.94 174.47 1dwq s VAL 77 N 1.88 4.00 -0.07 2.92 1.01 0.07 -0.92 120.40 129.31 1dwq s VAL 77 Ca 0.17 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1dwq s VAL 77 Cb -0.15 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1dwq s VAL 77 CO 0.09 0.45 -0.14 -0.83 0.00 0.00 0.00 175.10 174.67 1dwq s GLY 78 N 0.75 0.86 0.13 4.51 0.00 -0.59 0.10 107.32 113.08 1dwq s GLY 78 Ca -0.00 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.24 1dwq s GLY 78 CO 0.02 0.02 0.27 -1.83 0.00 0.00 0.00 173.10 171.58 1dwq s GLU 79 N 0.56 3.44 0.00 2.90 -1.05 -0.71 -1.03 118.70 122.81 1dwq s GLU 79 Ca -0.14 -0.55 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 1dwq s GLU 79 Cb -0.15 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 1dwq s GLU 79 CO 0.04 0.54 0.00 0.45 0.95 0.00 0.00 175.26 177.24 1dwq n SER 80 N -0.34 0.00 0.00 0.83 2.88 -0.96 -3.95 113.62 112.07 1dwq n SER 80 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1dwq n SER 80 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1dwq n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dwq n ALA 82 N 0.00 0.00 0.15 -1.46 0.00 -1.26 -0.69 120.51 117.25 1dwq n ALA 82 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1dwq n ALA 82 Cb 0.00 -0.31 0.62 0.00 0.00 0.00 0.00 19.45 19.75 1dwq n ALA 82 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dwq h GLY 83 N 0.00 0.11 1.56 0.00 0.00 -1.78 -0.43 103.07 102.53 1dwq h GLY 83 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1dwq h GLY 83 CO 0.00 0.03 -0.29 1.41 0.00 0.00 0.00 176.54 177.69 1dwq h LEU 84 N 0.09 0.51 -0.44 3.11 3.38 -1.88 -1.70 115.31 118.38 1dwq h LEU 84 Ca 0.09 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1dwq h LEU 84 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1dwq h LEU 84 CO -0.01 0.78 0.09 0.78 0.09 0.00 0.00 178.44 180.17 1dwq h ASN 85 N 0.44 0.69 -0.03 -0.43 2.35 -1.49 0.01 115.58 117.11 1dwq h ASN 85 Ca 0.06 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1dwq h ASN 85 Cb 0.73 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 1dwq h ASN 85 CO 0.06 0.76 0.01 0.40 -1.65 0.00 0.00 177.43 177.01 1dwq h ILE 86 N 0.58 1.14 -0.57 2.81 2.04 -1.19 -0.79 117.51 121.54 1dwq h ILE 86 Ca 0.14 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.65 1dwq h ILE 86 Cb 0.35 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1dwq h ILE 86 CO 0.01 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.53 1dwq h ALA 87 N 0.85 0.73 -0.68 1.87 0.00 -1.24 -0.16 119.26 120.63 1dwq h ALA 87 Ca 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1dwq h ALA 87 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1dwq h ALA 87 CO -0.00 -0.11 0.32 0.82 0.00 0.00 0.00 179.25 180.28 1dwq h ILE 88 N 0.49 1.23 -0.26 0.00 2.04 -0.88 -2.89 117.51 117.24 1dwq h ILE 88 Ca 0.27 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1dwq h ILE 88 Cb 0.24 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1dwq h ILE 88 CO -0.22 0.27 -0.03 0.00 0.00 0.00 0.00 178.15 178.17 1dwq h ALA 89 N 1.15 0.35 -0.48 1.87 0.00 -0.71 -3.24 119.26 118.20 1dwq h ALA 89 Ca 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1dwq h ALA 89 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1dwq h ALA 89 CO -0.03 0.12 0.18 0.00 0.00 0.00 0.00 179.25 179.52 1dwq h ALA 90 N 0.79 1.41 0.00 0.00 0.00 -1.00 0.27 119.26 120.73 1dwq h ALA 90 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dwq h ALA 90 Cb 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1dwq h ALA 90 CO 0.02 0.44 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 1dwq n ASP 91 N -4.35 0.00 0.00 0.00 8.00 -1.10 -1.55 116.55 117.56 1dwq n ASP 91 Ca 0.04 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1dwq n ASP 91 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1dwq n ASP 91 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1dwq n ARG 92 N -0.63 0.09 -2.35 -1.24 3.00 -0.53 -4.89 116.66 110.12 1dwq n ARG 92 Ca 0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.73 1dwq n ARG 92 Cb 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 32.46 31.74 1dwq n ARG 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1dwq n TYR 93 N -1.99 2.20 -0.34 -0.14 4.02 0.83 -4.81 117.16 116.93 1dwq n TYR 93 Ca 0.00 -2.24 0.21 0.00 -0.01 0.00 0.00 57.90 55.86 1dwq n TYR 93 Cb 0.26 -0.29 0.44 0.00 -0.02 0.00 0.00 39.34 39.73 1dwq n TYR 93 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 176.86 175.61 1dwq h VAL 94 N 3.45 0.47 -1.05 -0.72 3.04 -1.47 0.19 116.25 120.16 1dwq h VAL 94 Ca 0.17 -0.16 0.33 0.00 -1.01 0.00 0.00 66.70 66.03 1dwq h VAL 94 Cb 1.41 -0.04 -0.14 0.00 -2.01 0.00 0.00 31.29 30.51 1dwq h VAL 94 CO 0.55 0.09 0.62 -2.24 -1.01 0.00 0.00 177.57 175.57 1dwq h ASP 95 N 0.47 0.48 -0.03 3.17 2.03 -1.87 -1.96 116.42 118.70 1dwq h ASP 95 Ca 0.66 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 57.13 1dwq h ASP 95 Cb 1.44 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 40.06 1dwq h ASP 95 CO -0.46 -0.12 -0.06 0.29 -1.03 0.00 0.00 179.24 177.86 1dwq n LYS 96 N -4.96 2.16 -3.87 4.15 4.01 0.66 -4.86 118.16 115.45 1dwq n LYS 96 Ca 0.32 -1.78 -0.36 0.00 -0.51 0.00 0.00 58.31 55.98 1dwq n LYS 96 Cb 1.03 -1.46 -0.13 0.00 -0.51 0.00 0.00 35.03 33.95 1dwq n LYS 96 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1dwq s ILE 97 N -2.06 3.23 0.11 -0.18 1.01 -0.74 -0.05 121.20 122.52 1dwq s ILE 97 Ca 0.27 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.64 1dwq s ILE 97 Cb 0.20 -2.78 -0.11 0.00 0.01 0.00 0.00 42.46 39.78 1dwq s ILE 97 CO 0.34 -0.02 1.37 0.00 0.00 0.00 0.00 174.94 176.63 1dwq h ALA 98 N 8.07 0.40 -2.14 9.38 0.00 -1.22 -3.45 119.26 130.30 1dwq h ALA 98 Ca -0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1dwq h ALA 98 Cb 1.08 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.63 1dwq h ALA 98 CO 0.56 0.64 0.28 0.00 0.00 0.00 0.00 179.25 180.73 1dwq s ALA 99 N -4.04 -1.77 -0.16 0.00 0.00 -1.25 -4.22 121.76 110.33 1dwq s ALA 99 Ca -0.11 1.18 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 1dwq s ALA 99 Cb 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1dwq s ALA 99 CO 0.89 -0.46 -0.04 0.20 0.00 0.00 0.00 175.76 176.34 1dwq s GLY 100 N -1.58 1.71 -0.18 0.00 0.00 0.20 -2.65 107.32 104.81 1dwq s GLY 100 Ca -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 1dwq s GLY 100 CO 0.03 -0.06 -0.07 0.14 0.00 0.00 0.00 173.10 173.14 1dwq s VAL 101 N 0.39 3.37 -0.21 1.40 1.01 -0.09 -1.53 120.40 124.73 1dwq s VAL 101 Ca -0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1dwq s VAL 101 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1dwq s VAL 101 CO 0.03 0.46 0.04 -0.36 0.00 0.00 0.00 175.10 175.28 1dwq s PHE 102 N 0.98 3.12 -0.48 5.22 0.40 0.47 -1.54 117.98 126.15 1dwq s PHE 102 Ca -0.00 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1dwq s PHE 102 Cb -0.15 -2.13 0.13 0.00 0.51 0.00 0.00 43.02 41.38 1dwq s PHE 102 CO 0.00 -0.15 0.24 -1.58 0.70 0.00 0.00 175.22 174.43 1dwq s HIS 103 N 1.00 3.44 -1.48 0.36 2.46 -0.20 -0.36 115.29 120.51 1dwq s HIS 103 Ca 0.03 -2.92 -0.09 0.00 0.47 0.00 0.00 55.06 52.55 1dwq s HIS 103 Cb -0.14 -2.99 0.06 0.00 -0.13 0.00 0.00 32.58 29.38 1dwq s HIS 103 CO 0.03 -0.85 0.82 0.09 -2.47 0.00 0.00 174.74 172.35 1dwq n ASN 104 N 3.71 -3.17 -4.53 9.88 3.02 -0.21 -2.97 115.26 120.98 1dwq n ASN 104 Ca 0.04 -0.85 -0.24 0.00 -0.03 0.00 0.00 54.58 53.51 1dwq n ASN 104 Cb 0.37 -3.68 -0.09 0.00 -0.61 0.00 0.00 39.78 35.77 1dwq n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1dwq s SER 105 N -3.70 3.92 0.28 6.41 0.15 -1.26 -2.26 113.70 117.24 1dwq s SER 105 Ca 0.43 -0.89 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 1dwq s SER 105 Cb -0.22 -0.49 -0.12 0.00 -1.71 0.00 0.00 66.02 63.48 1dwq s SER 105 CO 0.85 0.03 1.50 0.18 1.20 0.00 0.00 173.24 176.99 1dwq n LEU 106 N -0.68 3.87 -3.99 3.45 4.32 0.13 -4.91 117.00 119.19 1dwq n LEU 106 Ca -0.06 1.15 -0.32 0.00 -0.02 0.00 0.00 56.01 56.77 1dwq n LEU 106 Cb 0.59 -1.53 -0.13 0.00 -1.62 0.00 0.00 43.42 40.74 1dwq n LEU 106 CO 0.39 -0.13 -0.13 -0.22 -1.22 0.00 0.00 177.39 176.08 1dwq s LEU 107 N -0.39 4.58 0.94 2.23 2.96 -1.26 -4.03 118.68 123.71 1dwq s LEU 107 Ca 0.64 -2.93 -0.11 0.00 -0.22 0.00 0.00 54.13 51.52 1dwq s LEU 107 Cb -0.55 -1.70 0.16 0.00 0.50 0.00 0.00 46.19 44.60 1dwq s LEU 107 CO 0.51 -0.28 1.12 -2.84 -1.32 0.00 0.00 176.35 173.54 1dwq s PRO 108 N -0.17 0.84 0.35 0.98 0.02 -1.26 -4.93 135.00 130.83 1dwq s PRO 108 Ca 0.17 1.36 0.02 0.00 0.02 0.00 0.00 61.00 62.57 1dwq s PRO 108 Cb -0.24 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 1dwq s PRO 108 CO -0.01 -2.69 0.09 -0.40 -0.33 0.00 0.00 177.00 173.65 1dwq n ASP 109 N -4.26 1.71 -0.02 2.53 5.68 -1.26 -5.02 116.55 115.91 1dwq n ASP 109 Ca 0.10 -2.76 0.07 0.00 -0.50 0.00 0.00 54.79 51.70 1dwq n ASP 109 Cb 0.53 0.68 -0.14 0.00 -1.14 0.00 0.00 41.12 41.05 1dwq n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1dwq n THR 110 N -0.81 0.15 0.03 2.12 -2.24 -1.26 -4.34 114.28 107.92 1dwq n THR 110 Ca -0.08 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1dwq n THR 110 Cb 0.50 -0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1dwq n THR 110 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dwq h VAL 111 N 0.00 1.35 -0.62 2.28 2.07 -1.97 -3.42 116.25 115.94 1dwq h VAL 111 Ca -0.06 -1.99 -0.65 0.00 0.82 0.00 0.00 66.70 64.82 1dwq h VAL 111 Cb 1.00 1.97 -0.11 0.00 -1.52 0.00 0.00 31.29 32.63 1dwq h VAL 111 CO 0.00 0.61 -0.49 -1.00 0.02 0.00 0.00 177.57 176.71 1dwq s HIS 112 N -3.77 1.95 0.85 1.57 3.76 -1.26 -5.10 115.29 113.28 1dwq s HIS 112 Ca -0.06 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 53.83 1dwq s HIS 112 Cb 0.11 -1.70 0.07 0.00 1.11 0.00 0.00 32.58 32.16 1dwq s HIS 112 CO 0.84 0.15 0.92 0.45 -0.85 0.00 0.00 174.74 176.25 1dwq n SER 113 N -1.30 -0.11 0.07 1.40 2.88 -1.26 -4.68 113.62 110.61 1dwq n SER 113 Ca -0.14 0.50 0.08 0.00 -1.33 0.00 0.00 58.87 57.98 1dwq n SER 113 Cb 0.66 -1.39 0.52 0.00 -0.75 0.00 0.00 64.21 63.25 1dwq n SER 113 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1dwq h PRO 114 N -1.16 0.31 0.00 -1.46 0.11 -1.79 -2.63 132.00 125.39 1dwq h PRO 114 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dwq h PRO 114 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1dwq h PRO 114 CO 0.42 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 1dwq n SER 115 N -4.49 0.00 -0.06 -2.05 3.41 -1.25 -4.41 113.62 104.76 1dwq n SER 115 Ca 0.03 0.37 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1dwq n SER 115 Cb 0.16 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1dwq n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1dwq h TYR 116 N 0.00 -1.30 0.00 7.33 3.20 -1.82 -0.16 116.97 124.22 1dwq h TYR 116 Ca 0.00 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1dwq h TYR 116 Cb 0.45 0.61 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1dwq h TYR 116 CO 0.00 -0.47 -0.12 1.79 -1.64 0.00 0.00 178.16 177.71 1dwq h THR 117 N -0.43 0.42 -0.07 1.81 1.35 -1.82 -0.96 112.91 113.21 1dwq h THR 117 Ca 0.10 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 1dwq h THR 117 Cb 0.61 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1dwq h THR 117 CO -0.49 0.12 0.01 0.58 -0.25 0.00 0.00 175.52 175.49 1dwq h VAL 118 N 0.00 1.23 -0.62 6.82 2.07 -1.38 0.95 116.25 125.32 1dwq h VAL 118 Ca -0.00 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1dwq h VAL 118 Cb 0.47 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1dwq h VAL 118 CO 0.02 0.19 0.33 -0.33 0.02 0.00 0.00 177.57 177.80 1dwq h GLU 119 N -0.15 0.61 -0.11 1.57 5.08 -0.36 -0.31 114.58 120.91 1dwq h GLU 119 Ca 0.02 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1dwq h GLU 119 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1dwq h GLU 119 CO 0.00 0.40 -0.50 0.87 -1.00 0.00 0.00 179.01 178.79 1dwq h LYS 120 N 0.63 0.29 -0.24 2.33 1.79 -1.05 -1.34 116.57 118.98 1dwq h LYS 120 Ca 0.28 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1dwq h LYS 120 Cb 0.18 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1dwq h LYS 120 CO -0.18 0.73 -0.04 1.25 -1.08 0.00 0.00 179.45 180.13 1dwq h LEU 121 N 0.23 0.46 -1.46 2.94 5.85 -0.03 -1.18 115.31 122.12 1dwq h LEU 121 Ca 0.01 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1dwq h LEU 121 Cb 0.96 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1dwq h LEU 121 CO 0.08 0.70 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.55 1dwq h LEU 122 N 0.21 0.01 -0.20 2.25 3.38 -0.87 0.64 115.31 120.72 1dwq h LEU 122 Ca 0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1dwq h LEU 122 Cb 0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1dwq h LEU 122 CO 0.02 0.27 0.10 -0.33 0.09 0.00 0.00 178.44 178.59 1dwq h GLU 123 N 0.01 0.29 -0.33 1.13 5.08 -1.03 -2.45 114.58 117.27 1dwq h GLU 123 Ca -0.00 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1dwq h GLU 123 Cb 0.47 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1dwq h GLU 123 CO 0.03 0.31 -0.10 1.03 -1.00 0.00 0.00 179.01 179.29 1dwq h SER 124 N 0.20 0.67 -3.23 1.42 0.87 -0.09 -3.39 113.55 110.00 1dwq h SER 124 Ca 0.07 -0.38 -0.61 0.00 -1.23 0.00 0.00 61.79 59.64 1dwq h SER 124 Cb 0.12 -0.18 -0.40 0.00 -0.44 0.00 0.00 62.40 61.49 1dwq h SER 124 CO -0.01 0.89 -0.74 0.12 -0.53 0.00 0.00 176.83 176.56 1dwq s PHE 125 N -4.73 2.17 -0.59 2.24 5.36 0.21 -4.95 117.98 117.70 1dwq s PHE 125 Ca -0.13 -2.61 0.24 0.00 -0.96 0.00 0.00 56.93 53.47 1dwq s PHE 125 Cb 0.09 -1.90 0.26 0.00 -0.34 0.00 0.00 43.02 41.13 1dwq s PHE 125 CO 0.80 -0.74 1.25 -1.00 -1.46 0.00 0.00 175.22 174.06 1dwq h PRO 126 N 6.26 0.00 -4.87 10.12 0.13 -1.64 -3.40 132.00 138.60 1dwq h PRO 126 Ca 0.07 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.53 1dwq h PRO 126 Cb 0.89 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.70 1dwq h PRO 126 CO 0.52 0.00 -0.73 0.34 -0.23 0.00 0.00 178.00 177.89 1dwq s ASP 127 N -4.30 4.46 -0.28 1.44 3.68 -1.26 -4.94 116.67 115.47 1dwq s ASP 127 Ca 0.05 -0.96 0.09 0.00 2.13 0.00 0.00 52.55 53.87 1dwq s ASP 127 Cb 0.13 -1.68 0.69 0.00 -1.45 0.00 0.00 42.92 40.61 1dwq s ASP 127 CO 0.74 -0.16 1.69 0.79 0.13 0.00 0.00 175.17 178.36 1dwq n TRP 128 N 4.66 2.18 0.00 -5.34 7.02 -1.26 -4.99 117.44 119.71 1dwq n TRP 128 Ca -0.16 -1.02 0.00 0.00 -1.02 0.00 0.00 57.50 55.30 1dwq n TRP 128 Cb 0.46 -0.61 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 1dwq n TRP 128 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1dwq n ARG 129 N 0.03 0.00 -0.91 -0.99 1.74 -1.26 -1.81 116.66 113.46 1dwq n ARG 129 Ca 0.35 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.46 1dwq n ARG 129 Cb 1.26 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 33.07 1dwq n ARG 129 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1dwq n ASP 130 N 9.73 5.35 -4.75 0.55 5.75 -1.26 -4.93 116.55 126.99 1dwq n ASP 130 Ca 0.00 -2.98 -0.41 0.00 -0.01 0.00 0.00 54.79 51.39 1dwq n ASP 130 Cb 0.00 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 39.36 1dwq n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1dwq s THR 131 N -2.76 3.22 0.07 2.12 2.01 -0.75 -3.78 115.64 115.77 1dwq s THR 131 Ca 0.53 1.10 0.02 0.00 0.31 0.00 0.00 61.69 63.65 1dwq s THR 131 Cb 0.41 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1dwq s THR 131 CO 0.15 0.21 0.11 -1.61 -0.69 0.00 0.00 174.62 172.78 1dwq s GLU 132 N -0.81 3.02 0.14 4.92 2.02 -0.80 -4.88 118.70 122.31 1dwq s GLU 132 Ca 0.52 -0.62 0.08 0.00 0.02 0.00 0.00 54.97 54.97 1dwq s GLU 132 Cb -0.36 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 1dwq s GLU 132 CO 0.42 0.58 -0.19 0.71 0.02 0.00 0.00 175.26 176.80 1dwq s TYR 133 N -1.40 1.79 0.23 1.61 1.51 -1.26 -1.26 117.35 118.56 1dwq s TYR 133 Ca 0.30 -0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 55.80 1dwq s TYR 133 Cb -0.12 -0.93 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 1dwq s TYR 133 CO 0.23 0.27 0.43 -0.06 -1.11 0.00 0.00 175.55 175.31 1dwq s PHE 134 N -1.68 0.41 0.05 2.71 0.40 0.47 -4.96 117.98 115.39 1dwq s PHE 134 Ca 0.11 -0.76 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1dwq s PHE 134 Cb -0.07 0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.53 1dwq s PHE 134 CO 0.05 -0.93 -0.05 0.95 0.70 0.00 0.00 175.22 175.95 1dwq s THR 135 N -4.02 0.37 0.15 0.64 -4.23 -1.26 0.21 115.64 107.51 1dwq s THR 135 Ca 0.23 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1dwq s THR 135 Cb 0.00 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 1dwq s THR 135 CO 0.08 -0.75 0.07 0.72 -0.54 0.00 0.00 174.62 174.19 1dwq s PHE 136 N -2.88 0.96 -0.17 3.99 -0.12 -0.44 -4.96 117.98 114.37 1dwq s PHE 136 Ca 0.00 -1.25 -0.08 0.00 -0.05 0.00 0.00 56.93 55.55 1dwq s PHE 136 Cb 0.00 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 1dwq s PHE 136 CO -0.05 -0.52 0.10 0.99 -0.05 0.00 0.00 175.22 175.69 1dwq s THR 137 N -4.04 5.12 0.33 -4.49 2.01 -1.26 -1.10 115.64 112.21 1dwq s THR 137 Ca 0.28 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.33 1dwq s THR 137 Cb 0.07 -3.30 0.07 0.00 0.01 0.00 0.00 72.50 69.36 1dwq s THR 137 CO 0.04 0.49 0.46 -0.46 -0.69 0.00 0.00 174.62 174.46 1dwq n ASN 138 N 3.16 0.39 0.24 3.53 2.04 0.03 -4.89 115.26 119.75 1dwq n ASN 138 Ca -0.17 -1.38 0.17 0.00 -0.44 0.00 0.00 54.58 52.76 1dwq n ASN 138 Cb 0.53 -0.32 0.87 0.00 -2.53 0.00 0.00 39.78 38.33 1dwq n ASN 138 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 1dwq h ILE 139 N -0.75 0.46 -0.25 1.53 2.10 -1.91 0.13 117.51 118.82 1dwq h ILE 139 Ca -0.15 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1dwq h ILE 139 Cb 0.50 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1dwq h ILE 139 CO 0.14 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.56 1dwq n THR 140 N -3.77 1.22 -0.25 2.19 -2.24 -1.26 -4.99 114.28 105.19 1dwq n THR 140 Ca 0.00 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1dwq n THR 140 Cb 0.25 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1dwq n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dwq n GLY 141 N 0.08 0.66 3.77 3.38 0.00 0.46 -5.07 105.19 108.47 1dwq n GLY 141 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1dwq n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dwq s GLU 142 N -0.75 4.15 -0.16 1.61 0.41 -1.26 -4.68 118.70 118.02 1dwq s GLU 142 Ca 0.00 1.83 -0.15 0.00 -0.41 0.00 0.00 54.97 56.24 1dwq s GLU 142 Cb 0.00 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1dwq s GLU 142 CO 0.00 -0.23 0.33 0.95 -0.49 0.00 0.00 175.26 175.81 1dwq s THR 143 N -1.39 5.28 -0.11 3.63 -4.23 -1.26 -0.79 115.64 116.78 1dwq s THR 143 Ca 0.55 0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 61.66 1dwq s THR 143 Cb -0.31 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 1dwq s THR 143 CO 0.39 0.37 -0.03 -0.63 -0.54 0.00 0.00 174.62 174.17 1dwq s ILE 144 N 0.59 4.01 -0.19 2.99 -1.09 -0.26 -4.90 121.20 122.35 1dwq s ILE 144 Ca 0.18 -0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 58.16 1dwq s ILE 144 Cb -0.13 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 1dwq s ILE 144 CO 0.05 0.56 0.13 -0.89 -1.23 0.00 0.00 174.94 173.56 1dwq s THR 145 N -0.41 5.39 0.37 2.92 2.01 -1.26 -1.32 115.64 123.33 1dwq s THR 145 Ca 0.07 0.18 0.09 0.00 0.31 0.00 0.00 61.69 62.34 1dwq s THR 145 Cb -0.12 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1dwq s THR 145 CO 0.02 0.47 -0.02 0.42 -0.69 0.00 0.00 174.62 174.83 1dwq s THR 146 N 0.13 2.29 -0.01 -0.82 -4.23 0.13 -4.40 115.64 108.73 1dwq s THR 146 Ca 0.09 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.45 1dwq s THR 146 Cb -0.11 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1dwq s THR 146 CO -0.01 -0.13 0.22 0.00 -0.54 0.00 0.00 174.62 174.16 1dwq s MET 147 N -3.69 0.55 -0.33 3.99 0.23 -0.37 -0.40 119.30 119.29 1dwq s MET 147 Ca 0.34 -0.26 -0.04 0.00 -1.03 0.00 0.00 55.69 54.71 1dwq s MET 147 Cb 0.04 0.24 0.05 0.00 -1.53 0.00 0.00 34.83 33.63 1dwq s MET 147 CO 0.18 -0.14 0.07 0.21 -2.03 0.00 0.00 175.02 173.31 1dwq s LYS 148 N -1.26 2.47 0.10 3.16 2.47 -0.39 -1.93 119.74 124.35 1dwq s LYS 148 Ca -0.13 -1.29 -0.35 0.00 -1.56 0.00 0.00 55.97 52.63 1dwq s LYS 148 Cb -0.06 -3.35 -0.15 0.00 -1.46 0.00 0.00 37.83 32.81 1dwq s LYS 148 CO 0.03 -0.69 1.51 1.28 0.16 0.00 0.00 175.35 177.63 1dwq n LEU 149 N 4.70 2.51 -4.79 5.43 4.77 -1.26 -1.90 117.00 126.46 1dwq n LEU 149 Ca -0.12 1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 56.62 1dwq n LEU 149 Cb 0.44 -1.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.22 1dwq n LEU 149 CO 0.29 -0.58 0.73 -0.83 -1.33 0.00 0.00 177.39 175.67 1dwq s GLY 150 N 1.01 2.19 0.41 -0.72 0.00 -1.25 -4.86 107.32 104.09 1dwq s GLY 150 Ca 0.82 0.47 0.22 0.00 0.00 0.00 0.00 44.72 46.24 1dwq s GLY 150 CO 0.43 0.80 1.70 0.74 0.00 0.00 0.00 173.10 176.77 1dwq h PHE 151 N 0.45 0.00 -0.05 1.90 0.04 -1.93 -0.04 116.94 117.32 1dwq h PHE 151 Ca -0.47 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.11 1dwq h PHE 151 Cb 1.23 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.39 1dwq h PHE 151 CO 0.57 0.25 -0.69 0.28 -0.60 0.00 0.00 178.31 178.11 1dwq h VAL 152 N 0.00 1.36 -0.69 -0.55 2.07 -1.94 0.68 116.25 117.17 1dwq h VAL 152 Ca -0.00 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1dwq h VAL 152 Cb 0.94 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 1dwq h VAL 152 CO 0.03 0.61 0.43 0.25 0.02 0.00 0.00 177.57 178.92 1dwq h LEU 153 N 0.16 0.81 0.18 2.57 5.85 -1.75 0.25 115.31 123.38 1dwq h LEU 153 Ca -0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1dwq h LEU 153 Cb 1.36 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1dwq h LEU 153 CO 0.14 0.61 -0.09 0.25 -0.34 0.00 0.00 178.44 179.01 1dwq h LEU 154 N 0.94 -0.21 -0.00 2.25 5.85 -0.77 0.10 115.31 123.47 1dwq h LEU 154 Ca 0.25 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1dwq h LEU 154 Cb -0.07 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1dwq h LEU 154 CO -0.05 0.06 -0.21 -0.09 -0.34 0.00 0.00 178.44 177.81 1dwq h ARG 155 N -0.47 -0.31 0.00 1.25 1.12 -0.36 0.34 114.38 115.94 1dwq h ARG 155 Ca -0.02 0.02 -0.33 0.00 -1.11 0.00 0.00 59.98 58.54 1dwq h ARG 155 Cb 0.36 0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 30.33 1dwq h ARG 155 CO 0.04 -0.21 -2.07 0.39 -3.11 0.00 0.00 179.97 175.01 1dwq n GLU 156 N -5.33 0.66 -0.13 0.20 1.02 0.85 -2.55 120.64 115.36 1dwq n GLU 156 Ca -0.05 0.13 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 1dwq n GLU 156 Cb 0.25 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 29.92 1dwq n GLU 156 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1dwq n ASN 157 N -2.88 2.00 -0.06 1.62 4.13 -0.00 -4.25 115.26 115.82 1dwq n ASN 157 Ca -0.25 0.05 -0.22 0.00 1.68 0.00 0.00 54.58 55.84 1dwq n ASN 157 Cb 1.10 -0.54 -0.13 0.00 -1.54 0.00 0.00 39.78 38.68 1dwq n ASN 157 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1dwq n LEU 158 N -3.60 2.22 -1.65 3.41 4.32 -1.06 -3.43 117.00 117.22 1dwq n LEU 158 Ca -0.47 0.32 -0.15 0.00 -0.02 0.00 0.00 56.01 55.69 1dwq n LEU 158 Cb 0.93 -1.03 0.15 0.00 -1.62 0.00 0.00 43.42 41.85 1dwq n LEU 158 CO 0.16 0.55 0.83 0.49 -1.22 0.00 0.00 177.39 178.20 1dwq n PHE 159 N -4.00 1.98 -0.34 -1.77 3.01 0.12 -3.22 117.46 113.24 1dwq n PHE 159 Ca -0.33 -1.95 0.17 0.00 1.01 0.00 0.00 57.45 56.35 1dwq n PHE 159 Cb 0.85 -0.69 0.34 0.00 -0.01 0.00 0.00 39.48 39.97 1dwq n PHE 159 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1dwq n THR 160 N -1.04 -0.42 -0.29 4.37 -1.04 -1.06 -0.99 114.28 113.81 1dwq n THR 160 Ca 0.44 2.16 0.03 0.00 -2.04 0.00 0.00 64.05 64.64 1dwq n THR 160 Cb 1.09 -3.20 0.05 0.00 -1.82 0.00 0.00 70.33 66.44 1dwq n THR 160 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1dwq n LYS 161 N -5.45 2.59 -2.10 -2.82 4.76 -1.26 -4.92 118.16 108.95 1dwq n LYS 161 Ca 0.26 -1.82 -0.32 0.00 -2.87 0.00 0.00 58.31 53.56 1dwq n LYS 161 Cb 0.84 -1.15 -0.01 0.00 -1.84 0.00 0.00 35.03 32.87 1dwq n LYS 161 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dwq n THR 163 N -2.22 2.95 -0.19 0.00 -1.04 -1.26 -4.75 114.28 107.78 1dwq n THR 163 Ca 0.06 -0.50 0.05 0.00 -2.04 0.00 0.00 64.05 61.62 1dwq n THR 163 Cb 0.54 -0.92 0.32 0.00 -1.82 0.00 0.00 70.33 68.45 1dwq n THR 163 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1dwq h ASP 164 N 0.42 0.72 0.25 8.00 3.45 -1.98 0.90 116.42 128.19 1dwq h ASP 164 Ca -0.47 -0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.91 1dwq h ASP 164 Cb 1.38 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.98 1dwq h ASP 164 CO 0.49 0.48 -0.31 1.23 -1.57 0.00 0.00 179.24 179.56 1dwq h GLY 165 N 0.83 0.12 0.70 2.75 0.00 -1.98 0.11 103.07 105.59 1dwq h GLY 165 Ca 0.30 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.37 1dwq h GLY 165 CO -0.09 0.08 -0.70 0.83 0.00 0.00 0.00 176.54 176.66 1dwq h GLU 166 N 0.10 0.33 -0.56 4.80 4.39 -1.61 -1.84 114.58 120.19 1dwq h GLU 166 Ca 0.01 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1dwq h GLU 166 Cb 0.61 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1dwq h GLU 166 CO 0.04 1.18 0.19 -0.92 -1.16 0.00 0.00 179.01 178.35 1dwq h TYR 167 N -0.30 0.88 -0.88 4.33 3.20 -0.73 -1.30 116.97 122.17 1dwq h TYR 167 Ca -0.11 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 1dwq h TYR 167 Cb 1.49 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.47 1dwq h TYR 167 CO 0.18 0.73 0.46 1.49 -1.64 0.00 0.00 178.16 179.38 1dwq h GLU 168 N 0.77 1.25 -0.61 1.82 4.57 -0.86 -2.22 114.58 119.30 1dwq h GLU 168 Ca 0.18 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1dwq h GLU 168 Cb 0.25 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 1dwq h GLU 168 CO -0.01 0.93 0.38 1.25 -1.18 0.00 0.00 179.01 180.38 1dwq h LEU 169 N 1.24 0.62 -0.62 1.64 5.85 -0.84 -1.73 115.31 121.47 1dwq h LEU 169 Ca 0.31 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.10 1dwq h LEU 169 Cb 0.06 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 1dwq h LEU 169 CO -0.05 0.44 0.31 0.00 -0.34 0.00 0.00 178.44 178.80 1dwq h ALA 170 N 1.26 0.83 -0.24 1.25 0.00 -0.66 -0.09 119.26 121.61 1dwq h ALA 170 Ca 0.24 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1dwq h ALA 170 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1dwq h ALA 170 CO -0.09 -0.06 -0.11 0.87 0.00 0.00 0.00 179.25 179.86 1dwq h LYS 171 N 0.56 0.38 0.00 0.00 1.57 -1.03 0.30 116.57 118.36 1dwq h LYS 171 Ca 0.29 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1dwq h LYS 171 Cb 0.25 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1dwq h LYS 171 CO -0.22 0.50 -0.39 0.52 -0.57 0.00 0.00 179.45 179.29 1dwq h MET 172 N 0.36 0.00 0.00 3.15 2.86 -0.14 -3.36 114.93 117.80 1dwq h MET 172 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1dwq h MET 172 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1dwq h MET 172 CO 0.02 0.39 0.00 1.33 1.06 0.00 0.00 176.91 179.71 1dwq n VAL 173 N -3.49 0.07 -1.98 -2.22 0.24 -0.92 -5.08 118.33 104.95 1dwq n VAL 173 Ca -0.00 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.47 1dwq n VAL 173 Cb 0.53 1.13 0.01 0.00 -1.47 0.00 0.00 33.84 34.04 1dwq n VAL 173 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1dwq s MET 174 N -0.07 3.58 0.28 7.34 0.00 0.08 -4.71 119.30 125.80 1dwq s MET 174 Ca 0.00 2.12 0.02 0.00 0.00 0.00 0.00 55.69 57.83 1dwq s MET 174 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 34.83 32.31 1dwq s MET 174 CO 0.00 -0.80 0.11 1.03 0.00 0.00 0.00 175.02 175.36 1dwq s ARG 175 N -2.62 1.50 0.81 4.11 0.52 0.44 -5.04 118.95 118.68 1dwq s ARG 175 Ca 0.64 -1.83 -0.13 0.00 -0.52 0.00 0.00 55.73 53.89 1dwq s ARG 175 Cb -0.37 -0.31 0.08 0.00 0.52 0.00 0.00 34.95 34.87 1dwq s ARG 175 CO 0.46 -0.32 1.16 1.63 0.02 0.00 0.00 175.30 178.24 1dwq n LYS 176 N -0.53 0.15 -4.09 3.54 5.02 -1.26 -4.29 118.16 116.70 1dwq n LYS 176 Ca -0.00 0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1dwq n LYS 176 Cb 0.66 -2.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.21 1dwq n LYS 176 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1dwq s GLY 177 N -2.11 1.27 -0.20 0.72 0.00 -0.82 -4.13 107.32 102.06 1dwq s GLY 177 Ca 0.73 -1.40 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 1dwq s GLY 177 CO 0.52 -0.98 0.51 -0.45 0.00 0.00 0.00 173.10 172.70 1dwq s SER 178 N -3.17 -0.56 0.35 1.64 0.15 -1.26 -1.23 113.70 109.61 1dwq s SER 178 Ca 0.30 1.05 0.19 0.00 0.70 0.00 0.00 55.95 58.19 1dwq s SER 178 Cb 0.01 1.04 0.27 0.00 -1.71 0.00 0.00 66.02 65.62 1dwq s SER 178 CO 0.16 -0.18 1.55 -0.07 1.20 0.00 0.00 173.24 175.90 1dwq h LEU 179 N 5.67 0.00 0.80 3.45 3.38 -2.00 -3.47 115.31 123.13 1dwq h LEU 179 Ca -0.29 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.32 1dwq h LEU 179 Cb 1.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1dwq h LEU 179 CO 0.19 0.30 -0.53 0.49 0.09 0.00 0.00 178.44 178.98 1dwq n PHE 180 N -3.20 -1.77 -0.33 1.13 3.01 -1.26 -4.82 117.46 110.21 1dwq n PHE 180 Ca 0.02 0.42 -0.04 0.00 1.01 0.00 0.00 57.45 58.87 1dwq n PHE 180 Cb 0.63 -3.07 0.09 0.00 -0.01 0.00 0.00 39.48 37.12 1dwq n PHE 180 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1dwq h GLN 181 N -0.91 1.23 0.00 -1.08 4.15 -1.92 0.17 115.11 116.75 1dwq h GLN 181 Ca -0.42 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 58.80 1dwq h GLN 181 Cb 1.29 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1dwq h GLN 181 CO 0.51 0.88 -0.37 -2.95 -1.93 0.00 0.00 178.83 174.97 1dwq h ASN 182 N 1.25 0.00 0.56 -0.69 -0.00 -1.90 -1.26 115.58 113.53 1dwq h ASN 182 Ca 0.32 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.34 1dwq h ASN 182 Cb -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1dwq h ASN 182 CO -0.06 0.37 -1.28 0.58 -0.00 0.00 0.00 177.43 177.05 1dwq h VAL 183 N 0.00 1.46 -0.35 6.14 2.07 -1.52 -2.91 116.25 121.13 1dwq h VAL 183 Ca -0.00 -2.99 -0.04 0.00 0.82 0.00 0.00 66.70 64.49 1dwq h VAL 183 Cb 0.69 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1dwq h VAL 183 CO 0.05 0.88 0.06 -0.07 0.02 0.00 0.00 177.57 178.51 1dwq h LEU 184 N 0.09 0.47 -1.45 2.57 3.38 -0.19 -2.35 115.31 117.84 1dwq h LEU 184 Ca -0.16 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1dwq h LEU 184 Cb 2.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1dwq h LEU 184 CO 0.22 0.50 -0.21 0.00 0.09 0.00 0.00 178.44 179.03 1dwq h ALA 185 N 1.57 1.55 -0.00 1.53 0.00 -1.10 -1.19 119.26 121.61 1dwq h ALA 185 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dwq h ALA 185 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1dwq h ALA 185 CO -0.00 0.33 -0.20 1.04 0.00 0.00 0.00 179.25 180.42 1dwq n GLN 186 N -4.25 0.64 -2.64 0.00 6.02 -0.92 -4.88 117.38 111.35 1dwq n GLN 186 Ca -0.02 -0.30 -0.38 0.00 -0.01 0.00 0.00 57.00 56.30 1dwq n GLN 186 Cb 0.29 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.01 1dwq n GLN 186 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1dwq s ARG 187 N -2.56 4.50 0.49 -1.09 3.52 -0.45 -5.01 118.95 118.35 1dwq s ARG 187 Ca 0.25 1.50 -0.21 0.00 -0.13 0.00 0.00 55.73 57.13 1dwq s ARG 187 Cb 0.19 -2.85 -0.10 0.00 -1.56 0.00 0.00 34.95 30.64 1dwq s ARG 187 CO 0.52 0.16 0.73 -2.30 -0.81 0.00 0.00 175.30 173.60 1dwq n PRO 188 N 0.59 0.82 -2.00 5.12 -0.02 -1.26 -4.50 135.00 133.75 1dwq n PRO 188 Ca 0.02 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.48 1dwq n PRO 188 Cb 0.49 -1.81 0.01 0.00 -0.02 0.00 0.00 33.50 32.17 1dwq n PRO 188 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1dwq s LYS 189 N -2.03 3.30 0.50 -0.52 1.02 -1.26 -4.65 119.74 116.10 1dwq s LYS 189 Ca 0.67 1.15 -0.22 0.00 0.02 0.00 0.00 55.97 57.59 1dwq s LYS 189 Cb -0.51 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 1dwq s LYS 189 CO 0.55 -0.82 1.23 -0.06 -0.92 0.00 0.00 175.35 175.33 1dwq s PHE 190 N -2.55 2.65 0.43 3.18 0.08 -1.26 -4.98 117.98 115.52 1dwq s PHE 190 Ca 0.62 1.48 -0.07 0.00 0.12 0.00 0.00 56.93 59.09 1dwq s PHE 190 Cb -0.15 -3.52 -0.05 0.00 -0.57 0.00 0.00 43.02 38.73 1dwq s PHE 190 CO 0.39 -2.00 0.74 0.95 -0.10 0.00 0.00 175.22 175.20 1dwq s THR 191 N -1.47 4.89 -0.11 0.64 -4.23 -1.26 -4.58 115.64 109.52 1dwq s THR 191 Ca 0.67 0.30 0.17 0.00 -1.18 0.00 0.00 61.69 61.65 1dwq s THR 191 Cb -0.32 -3.80 0.11 0.00 1.34 0.00 0.00 72.50 69.83 1dwq s THR 191 CO 0.39 -0.66 1.54 -0.08 -0.54 0.00 0.00 174.62 175.27 1dwq h GLU 192 N 0.79 0.00 -0.07 3.99 4.57 -1.93 0.36 114.58 122.29 1dwq h GLU 192 Ca -0.47 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.52 1dwq h GLU 192 Cb 1.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1dwq h GLU 192 CO 0.63 0.41 -0.76 -0.22 -1.18 0.00 0.00 179.01 177.90 1dwq h LYS 193 N 0.00 0.42 0.00 1.92 3.64 -1.93 0.07 116.57 120.68 1dwq h LYS 193 Ca -0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1dwq h LYS 193 Cb 1.22 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1dwq h LYS 193 CO 0.05 0.99 0.00 0.41 -2.27 0.00 0.00 179.45 178.64 1dwq n GLY 194 N 0.61 0.31 0.12 5.01 0.00 -1.21 -4.28 105.19 105.75 1dwq n GLY 194 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1dwq n GLY 194 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1dwq h TYR 195 N 0.00 0.30 -0.54 1.61 3.20 -1.61 -0.93 116.97 119.01 1dwq h TYR 195 Ca 0.00 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 1dwq h TYR 195 Cb 0.00 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1dwq h TYR 195 CO 0.00 0.23 0.38 0.78 -1.64 0.00 0.00 178.16 177.91 1dwq h GLY 196 N 0.29 0.01 0.92 1.82 0.00 -0.14 -2.31 103.07 103.66 1dwq h GLY 196 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1dwq h GLY 196 CO -0.02 0.00 -0.39 -1.14 0.00 0.00 0.00 176.54 175.00 1dwq n SER 197 N -4.38 0.57 -4.77 0.19 3.41 -0.00 -4.93 113.62 103.70 1dwq n SER 197 Ca 0.10 -0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 57.97 1dwq n SER 197 Cb 0.61 0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 1dwq n SER 197 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dwq s ILE 198 N -2.87 2.90 0.58 -1.33 1.09 -0.87 -5.01 121.20 115.69 1dwq s ILE 198 Ca 0.15 0.86 -0.20 0.00 -1.10 0.00 0.00 60.65 60.36 1dwq s ILE 198 Cb 0.18 -3.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.01 1dwq s ILE 198 CO 0.64 0.17 1.26 -0.54 -0.10 0.00 0.00 174.94 176.37 1dwq s LYS 199 N -1.90 3.03 -0.06 2.79 -0.14 -1.26 -4.86 119.74 117.34 1dwq s LYS 199 Ca 0.51 1.97 -0.02 0.00 -1.36 0.00 0.00 55.97 57.06 1dwq s LYS 199 Cb -0.37 -2.05 0.04 0.00 -1.68 0.00 0.00 37.83 33.77 1dwq s LYS 199 CO 0.48 -1.20 0.11 0.15 -0.76 0.00 0.00 175.35 174.13 1dwq s LYS 200 N -3.16 -0.01 -0.15 1.68 1.02 -1.26 -0.63 119.74 117.23 1dwq s LYS 200 Ca 0.75 0.43 0.01 0.00 0.02 0.00 0.00 55.97 57.18 1dwq s LYS 200 Cb -0.34 -0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1dwq s LYS 200 CO 0.38 -0.29 -0.17 0.08 -0.92 0.00 0.00 175.35 174.44 1dwq s VAL 201 N 1.99 2.55 -0.31 3.17 1.01 -0.58 0.22 120.40 128.45 1dwq s VAL 201 Ca 0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1dwq s VAL 201 Cb -0.12 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1dwq s VAL 201 CO -0.04 0.52 0.12 -0.47 0.00 0.00 0.00 175.10 175.23 1dwq s TYR 202 N 0.75 3.18 -0.11 5.22 5.04 0.33 -0.39 117.35 131.36 1dwq s TYR 202 Ca -0.07 -0.90 -0.03 0.00 -2.44 0.00 0.00 57.07 53.63 1dwq s TYR 202 Cb -0.16 -2.31 -0.03 0.00 0.35 0.00 0.00 41.96 39.81 1dwq s TYR 202 CO 0.01 -0.57 0.00 0.42 -1.34 0.00 0.00 175.55 174.07 1dwq s ILE 203 N 1.53 4.29 0.27 3.14 1.01 0.51 -0.20 121.20 131.75 1dwq s ILE 203 Ca 0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 1dwq s ILE 203 Cb -0.18 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1dwq s ILE 203 CO 0.04 0.57 0.80 -1.66 0.00 0.00 0.00 174.94 174.69 1dwq s TRP 204 N -0.51 -0.10 0.02 3.97 1.48 -0.80 -1.04 118.94 121.94 1dwq s TRP 204 Ca 0.09 -0.36 0.01 0.00 -1.06 0.00 0.00 56.10 54.78 1dwq s TRP 204 Cb -0.12 0.72 -0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1dwq s TRP 204 CO 0.02 -1.20 -0.05 -0.08 -4.06 0.00 0.00 176.95 171.58 1dwq s THR 205 N -3.39 0.35 -2.01 0.66 -1.32 -1.26 -0.30 115.64 108.38 1dwq s THR 205 Ca 0.13 -0.66 0.30 0.00 -1.21 0.00 0.00 61.69 60.25 1dwq s THR 205 Cb -0.05 -0.39 0.70 0.00 -1.51 0.00 0.00 72.50 71.25 1dwq s THR 205 CO 0.07 -0.21 2.02 -0.90 -2.21 0.00 0.00 174.62 173.38 1dwq n ASP 206 N 2.13 0.47 -0.53 8.08 5.68 -1.26 -3.08 116.55 128.04 1dwq n ASP 206 Ca -0.19 -0.97 0.10 0.00 -0.50 0.00 0.00 54.79 53.23 1dwq n ASP 206 Cb 0.56 -0.03 0.38 0.00 -1.14 0.00 0.00 41.12 40.89 1dwq n ASP 206 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dwq n GLN 207 N -0.72 1.70 -2.04 0.11 1.13 -1.26 -4.69 117.38 111.61 1dwq n GLN 207 Ca 0.20 -1.05 -0.42 0.00 -1.94 0.00 0.00 57.00 53.79 1dwq n GLN 207 Cb 0.22 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 1dwq n GLN 207 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1dwq s ASP 208 N -1.57 6.70 -0.11 1.08 -1.08 -1.18 -4.60 116.67 115.91 1dwq s ASP 208 Ca 0.32 2.35 0.14 0.00 -0.52 0.00 0.00 52.55 54.84 1dwq s ASP 208 Cb 0.17 -2.56 0.59 0.00 -1.46 0.00 0.00 42.92 39.65 1dwq s ASP 208 CO 0.26 -0.82 1.45 0.29 0.52 0.00 0.00 175.17 176.87 1dwq n LYS 209 N 5.41 3.33 0.00 4.34 4.76 -1.22 -4.10 118.16 130.68 1dwq n LYS 209 Ca 0.15 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.29 1dwq n LYS 209 Cb 0.42 -1.83 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1dwq n LYS 209 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1dwq n ILE 210 N 0.78 0.00 -3.26 -0.18 3.06 -1.23 -4.74 119.36 113.80 1dwq n ILE 210 Ca 0.21 0.00 -0.46 0.00 -2.50 0.00 0.00 62.75 60.00 1dwq n ILE 210 Cb 0.78 -0.35 -0.01 0.00 0.54 0.00 0.00 39.64 40.60 1dwq n ILE 210 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1dwq s PHE 211 N -1.52 3.89 0.66 9.51 0.40 -1.26 -4.78 117.98 124.88 1dwq s PHE 211 Ca 0.00 -2.24 -0.16 0.00 -0.60 0.00 0.00 56.93 53.92 1dwq s PHE 211 Cb 0.00 -3.92 0.00 0.00 0.51 0.00 0.00 43.02 39.61 1dwq s PHE 211 CO 0.00 -1.06 1.16 -0.51 0.70 0.00 0.00 175.22 175.51 1dwq s LEU 212 N -0.06 3.45 0.42 -0.37 1.43 -1.26 -4.59 118.68 117.70 1dwq s LEU 212 Ca 0.27 2.21 0.14 0.00 -1.03 0.00 0.00 54.13 55.72 1dwq s LEU 212 Cb -0.09 -4.58 1.00 0.00 0.03 0.00 0.00 46.19 42.55 1dwq s LEU 212 CO -0.08 -1.80 1.94 -0.65 0.23 0.00 0.00 176.35 175.99 1dwq h PRO 213 N 0.20 0.45 0.00 1.29 0.11 -1.83 0.27 132.00 132.48 1dwq h PRO 213 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dwq h PRO 213 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1dwq h PRO 213 CO 0.53 0.30 0.00 -0.44 -0.21 0.00 0.00 178.00 178.18 1dwq h ASP 214 N 0.46 0.00 0.21 -2.05 3.45 -1.98 -0.80 116.42 115.72 1dwq h ASP 214 Ca 0.34 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.50 1dwq h ASP 214 Cb 0.68 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.49 1dwq h ASP 214 CO -0.11 0.00 -1.31 0.15 -1.57 0.00 0.00 179.24 176.40 1dwq h PHE 215 N 0.00 0.91 0.05 4.55 3.57 -0.91 -2.86 116.94 122.24 1dwq h PHE 215 Ca 0.00 -0.65 -0.00 0.00 3.53 0.00 0.00 57.97 60.85 1dwq h PHE 215 Cb 0.93 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1dwq h PHE 215 CO 0.00 1.50 -0.02 1.96 -2.23 0.00 0.00 178.31 179.52 1dwq h GLN 216 N 0.06 -0.06 -0.94 1.11 4.20 -0.92 -0.21 115.11 118.36 1dwq h GLN 216 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1dwq h GLN 216 Cb 2.03 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.77 1dwq h GLN 216 CO 0.25 0.09 0.59 0.00 -0.67 0.00 0.00 178.83 179.09 1dwq h ARG 217 N -0.20 1.25 -0.43 1.46 3.08 -1.28 0.15 114.38 118.40 1dwq h ARG 217 Ca -0.01 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1dwq h ARG 217 Cb 0.18 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1dwq h ARG 217 CO 0.01 0.85 0.20 2.35 -1.07 0.00 0.00 179.97 182.31 1dwq h TRP 218 N 1.28 0.36 -0.84 3.04 7.01 -1.21 -0.08 115.95 125.51 1dwq h TRP 218 Ca 0.34 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.38 1dwq h TRP 218 Cb -0.10 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 26.81 1dwq h TRP 218 CO -0.00 0.17 0.54 1.96 -2.79 0.00 0.00 178.44 178.32 1dwq h GLN 219 N 0.40 1.04 -0.58 2.65 4.20 0.11 0.40 115.11 123.32 1dwq h GLN 219 Ca 0.19 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1dwq h GLN 219 Cb 0.12 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1dwq h GLN 219 CO -0.15 0.69 0.14 0.82 -0.67 0.00 0.00 178.83 179.66 1dwq h ILE 220 N 1.07 1.25 -0.50 2.54 2.04 -0.73 -1.47 117.51 121.70 1dwq h ILE 220 Ca 0.33 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 1dwq h ILE 220 Cb -0.02 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1dwq h ILE 220 CO -0.10 0.33 -0.05 0.00 0.00 0.00 0.00 178.15 178.33 1dwq h ALA 221 N 1.03 0.68 -0.04 1.87 0.00 -0.30 -2.74 119.26 119.76 1dwq h ALA 221 Ca 0.18 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1dwq h ALA 221 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dwq h ALA 221 CO 0.00 0.54 -0.40 -0.97 0.00 0.00 0.00 179.25 178.42 1dwq h ASN 222 N 0.78 0.09 -1.73 0.00 -1.24 0.23 -3.39 115.58 110.32 1dwq h ASN 222 Ca 0.14 -0.03 -0.35 0.00 0.71 0.00 0.00 56.30 56.76 1dwq h ASN 222 Cb 0.59 -0.02 -0.28 0.00 0.73 0.00 0.00 38.32 39.33 1dwq h ASN 222 CO 0.04 0.48 -0.70 -0.47 -1.29 0.00 0.00 177.43 175.49 1dwq s TYR 223 N -4.14 -0.37 -0.38 0.67 5.04 -0.60 -5.08 117.35 112.50 1dwq s TYR 223 Ca -0.03 -1.12 -0.40 0.00 -2.44 0.00 0.00 57.07 53.07 1dwq s TYR 223 Cb 0.14 -0.29 -0.16 0.00 0.35 0.00 0.00 41.96 42.00 1dwq s TYR 223 CO 0.74 -1.03 1.95 1.17 -1.34 0.00 0.00 175.55 177.04 1dwq n LYS 224 N 3.46 0.74 -1.46 4.97 4.81 -1.04 -4.69 118.16 124.94 1dwq n LYS 224 Ca 0.19 0.24 -0.31 0.00 -0.87 0.00 0.00 58.31 57.56 1dwq n LYS 224 Cb 0.50 -2.00 0.07 0.00 0.02 0.00 0.00 35.03 33.62 1dwq n LYS 224 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1dwq s PRO 225 N 4.82 2.55 0.32 1.64 0.04 -1.26 -4.96 135.00 138.15 1dwq s PRO 225 Ca 1.07 0.97 0.16 0.00 0.04 0.00 0.00 61.00 63.23 1dwq s PRO 225 Cb -1.16 -1.95 0.46 0.00 0.04 0.00 0.00 34.50 31.90 1dwq s PRO 225 CO 0.63 -1.38 1.64 -0.44 0.04 0.00 0.00 177.00 177.49 1dwq h ASP 226 N -0.92 0.00 -4.45 6.66 3.32 -0.59 -3.45 116.42 117.00 1dwq h ASP 226 Ca -0.44 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 1dwq h ASP 226 Cb 1.23 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 1dwq h ASP 226 CO 0.55 0.49 -0.30 -0.75 -1.72 0.00 0.00 179.24 177.52 1dwq s LYS 227 N -3.46 0.53 -0.05 3.56 2.36 -1.06 -5.00 119.74 116.62 1dwq s LYS 227 Ca 0.00 0.12 0.04 0.00 -2.55 0.00 0.00 55.97 53.59 1dwq s LYS 227 Cb 0.11 0.24 -0.00 0.00 -1.05 0.00 0.00 37.83 37.13 1dwq s LYS 227 CO 0.72 -0.12 -0.18 0.08 1.55 0.00 0.00 175.35 177.41 1dwq s VAL 228 N -0.61 1.49 -0.14 4.02 1.01 -1.26 -0.52 120.40 124.40 1dwq s VAL 228 Ca -0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1dwq s VAL 228 Cb -0.04 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1dwq s VAL 228 CO 0.02 0.43 -0.05 -0.31 0.00 0.00 0.00 175.10 175.19 1dwq s TYR 229 N 0.07 1.48 -0.17 5.22 1.51 0.73 -4.92 117.35 121.26 1dwq s TYR 229 Ca -0.05 -0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 55.09 1dwq s TYR 229 Cb -0.12 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1dwq s TYR 229 CO 0.03 -0.55 0.08 -1.14 -1.11 0.00 0.00 175.55 172.86 1dwq s GLN 230 N 1.71 3.85 -0.20 -0.62 0.74 -1.26 -1.91 119.66 121.97 1dwq s GLN 230 Ca 0.03 -0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.06 1dwq s GLN 230 Cb -0.14 -3.21 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 1dwq s GLN 230 CO -0.08 0.39 0.08 0.08 -0.55 0.00 0.00 175.29 175.21 1dwq s VAL 231 N 0.05 4.81 0.12 1.34 1.01 0.60 -4.94 120.40 123.38 1dwq s VAL 231 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1dwq s VAL 231 Cb -0.12 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1dwq s VAL 231 CO 0.00 0.43 1.18 -1.58 0.00 0.00 0.00 175.10 175.13 1dwq s GLN 232 N 0.61 4.48 2.55 2.72 2.00 -1.26 -4.38 119.66 126.38 1dwq s GLN 232 Ca 0.04 1.79 0.00 0.00 -2.00 0.00 0.00 55.36 55.19 1dwq s GLN 232 Cb -0.13 -3.30 0.00 0.00 0.80 0.00 0.00 33.01 30.38 1dwq s GLN 232 CO 0.01 -0.14 0.00 0.41 -0.50 0.00 0.00 175.29 175.08 1dwq n GLY 233 N 2.67 -0.36 7.00 2.59 0.00 -1.26 -5.03 105.19 110.80 1dwq n GLY 233 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1dwq n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dwq n GLY 234 N 0.00 0.44 0.00 -0.02 0.00 -1.26 -4.46 105.19 99.88 1dwq n GLY 234 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1dwq n GLY 234 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dwq n ASP 235 N -1.72 0.00 -0.36 1.61 5.68 -1.26 -4.78 116.55 115.71 1dwq n ASP 235 Ca 0.00 -0.49 0.02 0.00 -0.50 0.00 0.00 54.79 53.81 1dwq n ASP 235 Cb 0.00 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.14 1dwq n ASP 235 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1dwq h HIS 236 N 0.49 1.19 -1.72 2.11 -0.00 -1.80 -3.15 115.15 112.27 1dwq h HIS 236 Ca 0.00 0.03 -0.75 0.00 -0.00 0.00 0.00 60.37 59.65 1dwq h HIS 236 Cb 0.00 -0.39 -0.17 0.00 -0.00 0.00 0.00 27.41 26.85 1dwq h HIS 236 CO 0.00 0.64 1.74 1.63 -0.00 0.00 0.00 177.93 181.94 1dwq n LYS 237 N -4.49 3.57 0.28 5.26 4.76 -1.20 -4.76 118.16 121.57 1dwq n LYS 237 Ca 0.14 -3.68 0.18 0.00 -2.87 0.00 0.00 58.31 52.08 1dwq n LYS 237 Cb 0.15 -2.94 0.86 0.00 -1.84 0.00 0.00 35.03 31.26 1dwq n LYS 237 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dwq h LEU 238 N 8.39 0.00 0.00 -0.35 3.38 -1.92 0.12 115.31 124.93 1dwq h LEU 238 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1dwq h LEU 238 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1dwq h LEU 238 CO 1.48 0.00 0.00 0.00 0.09 0.00 0.00 178.44 180.01 1dwq n GLN 239 N -2.93 0.02 -0.08 1.13 0.00 -1.26 -0.47 117.38 113.79 1dwq n GLN 239 Ca -0.01 0.03 -0.14 0.00 0.00 0.00 0.00 57.00 56.89 1dwq n GLN 239 Cb 0.19 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.85 1dwq n GLN 239 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1dwq n LEU 240 N -1.49 2.37 0.12 2.61 4.77 -0.69 -3.88 117.00 120.81 1dwq n LEU 240 Ca 0.07 0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1dwq n LEU 240 Cb 0.31 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1dwq n LEU 240 CO 0.25 0.63 0.26 0.71 -1.33 0.00 0.00 177.39 177.91 1dwq h THR 241 N -0.22 0.49 -0.76 -5.08 1.35 -0.81 -3.36 112.91 104.52 1dwq h THR 241 Ca -0.39 -1.77 -0.43 0.00 -0.55 0.00 0.00 66.41 63.27 1dwq h THR 241 Cb 1.50 2.11 -0.42 0.00 -1.73 0.00 0.00 68.15 69.62 1dwq h THR 241 CO -0.13 0.28 -0.95 0.29 -0.25 0.00 0.00 175.52 174.76 1dwq n LYS 242 N -3.03 2.68 -0.25 4.72 4.76 0.38 -4.84 118.16 122.57 1dwq n LYS 242 Ca -0.01 -3.89 0.04 0.00 -2.87 0.00 0.00 58.31 51.58 1dwq n LYS 242 Cb 0.70 -1.93 0.17 0.00 -1.84 0.00 0.00 35.03 32.12 1dwq n LYS 242 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1dwq h THR 243 N 3.50 0.74 -0.05 -0.18 2.02 -1.69 -0.66 112.91 116.60 1dwq h THR 243 Ca 0.14 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 1dwq h THR 243 Cb 1.33 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1dwq h THR 243 CO 0.54 0.09 -0.71 -0.33 0.37 0.00 0.00 175.52 175.49 1dwq h GLU 244 N 0.51 0.26 -0.07 6.66 4.39 -1.92 -1.25 114.58 123.16 1dwq h GLU 244 Ca 0.39 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1dwq h GLU 244 Cb 0.52 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1dwq h GLU 244 CO -0.34 0.87 -0.01 1.49 -1.16 0.00 0.00 179.01 179.86 1dwq h GLU 245 N 0.18 0.14 -0.48 2.33 4.81 -1.63 0.13 114.58 120.05 1dwq h GLU 245 Ca -0.02 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1dwq h GLU 245 Cb 1.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1dwq h GLU 245 CO 0.11 0.43 0.32 0.28 -0.73 0.00 0.00 179.01 179.42 1dwq h VAL 246 N -0.18 1.12 -0.93 0.32 2.07 -1.10 -0.61 116.25 116.94 1dwq h VAL 246 Ca 0.02 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1dwq h VAL 246 Cb 0.38 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1dwq h VAL 246 CO 0.01 0.12 0.61 0.00 0.02 0.00 0.00 177.57 178.32 1dwq h ALA 247 N 1.18 1.45 -0.29 1.67 0.00 -0.71 0.24 119.26 122.80 1dwq h ALA 247 Ca 0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1dwq h ALA 247 Cb -0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1dwq h ALA 247 CO -0.04 0.42 -0.48 1.25 0.00 0.00 0.00 179.25 180.40 1dwq h HIS 248 N 1.11 0.97 -0.54 0.00 6.17 0.57 -1.01 115.15 122.41 1dwq h HIS 248 Ca 0.39 -0.32 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 1dwq h HIS 248 Cb 0.13 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 1dwq h HIS 248 CO -0.00 1.11 0.29 0.82 0.71 0.00 0.00 177.93 180.86 1dwq h ILE 249 N 0.62 1.19 -0.06 6.26 2.04 -0.79 -2.32 117.51 124.45 1dwq h ILE 249 Ca 0.03 -0.49 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1dwq h ILE 249 Cb 1.06 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1dwq h ILE 249 CO 0.11 0.20 -0.34 -0.07 0.00 0.00 0.00 178.15 178.05 1dwq h LEU 250 N 0.72 0.11 -1.07 1.44 3.38 -0.61 -1.39 115.31 117.90 1dwq h LEU 250 Ca 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dwq h LEU 250 Cb 0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1dwq h LEU 250 CO -0.03 0.45 0.48 -0.61 0.09 0.00 0.00 178.44 178.82 1dwq h GLN 251 N 0.10 1.12 -0.23 1.13 5.75 -0.73 -1.05 115.11 121.21 1dwq h GLN 251 Ca 0.01 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.29 1dwq h GLN 251 Cb 0.65 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1dwq h GLN 251 CO 0.05 0.80 -0.35 0.93 -2.65 0.00 0.00 178.83 177.61 1dwq h GLU 252 N 1.14 0.49 -0.71 1.69 5.08 -0.77 -0.11 114.58 121.39 1dwq h GLU 252 Ca 0.29 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1dwq h GLU 252 Cb -0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1dwq h GLU 252 CO -0.05 0.78 0.17 0.28 -1.00 0.00 0.00 179.01 179.18 1dwq h VAL 253 N 0.42 1.26 0.35 3.13 2.07 -0.94 -1.04 116.25 121.50 1dwq h VAL 253 Ca 0.05 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1dwq h VAL 253 Cb 0.81 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1dwq h VAL 253 CO 0.07 0.38 -0.17 0.00 0.02 0.00 0.00 177.57 177.87 1dwq h ALA 254 N 1.08 -0.46 -0.76 1.67 0.00 -0.67 -0.46 119.26 119.66 1dwq h ALA 254 Ca 0.22 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1dwq h ALA 254 Cb 0.38 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1dwq h ALA 254 CO 0.00 -0.69 0.36 -0.44 0.00 0.00 0.00 179.25 178.49 1dwq h ASP 255 N -0.61 0.44 -0.22 0.00 3.32 -0.91 0.17 116.42 118.61 1dwq h ASP 255 Ca -0.05 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 1dwq h ASP 255 Cb 0.45 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1dwq h ASP 255 CO 0.08 0.22 -0.50 0.00 -1.72 0.00 0.00 179.24 177.32 1dwq h ALA 256 N 1.49 0.57 0.00 3.45 0.00 -1.06 -3.41 119.26 120.29 1dwq h ALA 256 Ca 0.39 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dwq h ALA 256 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dwq h ALA 256 CO -0.32 0.68 -0.30 0.66 0.00 0.00 0.00 179.25 179.97 1dwq n TYR 257 N -4.01 0.00 1.14 0.00 0.53 -0.19 -5.10 117.16 109.53 1dwq n TYR 257 Ca -0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.97 1dwq n TYR 257 Cb 0.60 0.00 0.22 0.00 -1.03 0.00 0.00 39.34 39.12 1dwq n TYR 257 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84