#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwc h SER 0 N 0.00 0.00 -0.10 1.61 4.64 -2.02 -2.74 113.55 114.94 3dwc h SER 0 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dwc h SER 0 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dwc h SER 0 CO 0.00 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.76 3dwc n MET 1 N -2.93 2.25 -0.01 4.77 0.00 -1.26 -4.50 117.12 115.43 3dwc n MET 1 Ca 0.02 -1.83 -0.12 0.00 -0.00 0.00 0.00 57.70 55.78 3dwc n MET 1 Cb 0.37 -1.47 -0.06 0.00 0.00 0.00 0.00 33.22 32.05 3dwc n MET 1 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3dwc h LYS 2 N 4.23 0.13 -0.46 2.12 3.64 -1.92 -1.69 116.57 122.62 3dwc h LYS 2 Ca 0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3dwc h LYS 2 Cb 0.91 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.65 3dwc h LYS 2 CO 0.00 0.22 0.15 -1.35 -2.27 0.00 0.00 179.45 176.20 3dwc h PRO 3 N 0.00 0.30 -0.58 1.90 0.11 -1.81 0.19 132.00 132.12 3dwc h PRO 3 Ca 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3dwc h PRO 3 Cb 0.14 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 3dwc h PRO 3 CO -0.00 0.20 0.37 -0.92 -0.21 0.00 0.00 178.00 177.44 3dwc h TYR 4 N 0.31 0.75 -0.47 0.65 3.20 -1.81 -0.31 116.97 119.30 3dwc h TYR 4 Ca 0.22 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3dwc h TYR 4 Cb 0.23 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3dwc h TYR 4 CO -0.17 0.49 -0.09 0.87 -1.64 0.00 0.00 178.16 177.62 3dwc h LYS 5 N 0.79 0.83 -0.54 1.82 1.79 -0.69 0.18 116.57 120.75 3dwc h LYS 5 Ca 0.21 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3dwc h LYS 5 Cb -0.07 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 3dwc h LYS 5 CO -0.04 0.89 0.21 1.49 -1.08 0.00 0.00 179.45 180.92 3dwc h GLU 6 N 0.75 0.82 -0.73 3.15 4.57 -0.70 -2.19 114.58 120.25 3dwc h GLU 6 Ca 0.13 -0.15 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 3dwc h GLU 6 Cb 0.58 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.97 3dwc h GLU 6 CO 0.04 0.72 0.39 -0.07 -1.18 0.00 0.00 179.01 178.91 3dwc h LEU 7 N 0.74 0.55 -0.44 1.64 3.38 -0.55 -0.74 115.31 119.90 3dwc h LEU 7 Ca 0.18 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3dwc h LEU 7 Cb 0.21 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3dwc h LEU 7 CO -0.01 0.33 0.13 -0.33 0.09 0.00 0.00 178.44 178.65 3dwc h GLU 8 N 0.69 0.28 -0.33 1.13 5.08 -0.62 0.13 114.58 120.94 3dwc h GLU 8 Ca 0.35 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3dwc h GLU 8 Cb 0.31 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3dwc h GLU 8 CO -0.24 0.18 0.05 -0.09 -1.00 0.00 0.00 179.01 177.92 3dwc h ARG 9 N 0.29 0.15 -0.45 2.33 2.43 -0.74 0.27 114.38 118.66 3dwc h ARG 9 Ca 0.21 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3dwc h ARG 9 Cb 0.22 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3dwc h ARG 9 CO -0.23 0.10 0.25 0.28 -1.51 0.00 0.00 179.97 178.86 3dwc h VAL 10 N 0.16 1.16 -0.03 0.20 2.07 -0.66 -2.14 116.25 117.01 3dwc h VAL 10 Ca 0.16 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3dwc h VAL 10 Cb 0.18 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3dwc h VAL 10 CO -0.22 0.17 -0.40 -0.26 0.02 0.00 0.00 177.57 176.88 3dwc h PHE 11 N 0.59 0.06 -0.39 1.57 -1.00 -0.55 -0.92 116.94 116.29 3dwc h PHE 11 Ca 0.16 -0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.83 3dwc h PHE 11 Cb 0.05 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3dwc h PHE 11 CO -0.02 0.45 -0.15 1.15 -1.61 0.00 0.00 178.31 178.13 3dwc h THR 12 N 0.05 1.26 0.13 -1.55 2.02 -0.63 -0.30 112.91 113.89 3dwc h THR 12 Ca 0.00 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 3dwc h THR 12 Cb 0.73 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3dwc h THR 12 CO 0.05 0.40 -0.06 0.50 0.37 0.00 0.00 175.52 176.79 3dwc h LYS 13 N 0.65 -0.17 -0.77 6.66 3.64 -0.68 -1.71 116.57 124.18 3dwc h LYS 13 Ca 0.11 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3dwc h LYS 13 Cb 0.62 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 3dwc h LYS 13 CO 0.04 -0.06 0.51 -0.07 -2.27 0.00 0.00 179.45 177.60 3dwc h LEU 14 N -0.24 0.74 -0.81 5.20 3.38 -1.08 -1.16 115.31 121.35 3dwc h LEU 14 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3dwc h LEU 14 Cb 0.19 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3dwc h LEU 14 CO 0.03 0.48 0.33 0.22 0.09 0.00 0.00 178.44 179.59 3dwc h TYR 15 N 0.85 1.22 -0.41 1.13 3.20 -0.79 -0.64 116.97 121.54 3dwc h TYR 15 Ca 0.33 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 3dwc h TYR 15 Cb 0.21 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 3dwc h TYR 15 CO -0.00 0.92 0.04 0.00 -1.64 0.00 0.00 178.16 177.48 3dwc h ARG 16 N 1.18 0.69 -0.71 1.82 2.47 -0.77 -1.84 114.38 117.23 3dwc h ARG 16 Ca 0.27 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 3dwc h ARG 16 Cb 0.21 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 3dwc h ARG 16 CO -0.02 0.75 0.39 1.88 0.56 0.00 0.00 179.97 183.53 3dwc h TYR 17 N 0.53 0.95 -0.20 3.04 0.05 -1.11 -3.09 116.97 117.14 3dwc h TYR 17 Ca 0.12 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 3dwc h TYR 17 Cb 0.41 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3dwc h TYR 17 CO 0.03 0.65 -0.34 0.78 -1.05 0.00 0.00 178.16 178.23 3dwc h GLY 18 N 1.02 0.46 0.18 3.88 0.00 -0.89 -2.35 103.07 105.37 3dwc h GLY 18 Ca 0.25 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.27 3dwc h GLY 18 CO -0.04 0.37 -0.00 0.84 0.00 0.00 0.00 176.54 177.71 3dwc h HIS 19 N 0.36 -0.03 -0.42 5.60 -0.00 -1.26 0.57 115.15 119.96 3dwc h HIS 19 Ca 0.04 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 3dwc h HIS 19 Cb 0.77 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.24 3dwc h HIS 19 CO 0.02 -0.11 0.25 0.52 -0.00 0.00 0.00 177.93 178.61 3dwc h MET 20 N 0.11 0.48 -0.48 5.26 2.07 -1.44 -1.71 114.93 119.23 3dwc h MET 20 Ca 0.25 -0.03 -0.12 0.00 -2.07 0.00 0.00 59.70 57.73 3dwc h MET 20 Cb 0.37 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 3dwc h MET 20 CO -0.41 0.32 -0.16 -0.07 1.07 0.00 0.00 176.91 177.66 3dwc h LEU 21 N 0.50 0.94 -0.58 1.22 3.38 -0.95 -1.61 115.31 118.20 3dwc h LEU 21 Ca 0.17 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 3dwc h LEU 21 Cb 0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3dwc h LEU 21 CO -0.08 1.09 -0.35 -0.07 0.09 0.00 0.00 178.44 179.11 3dwc h LEU 22 N 0.82 0.78 -0.14 1.67 3.38 -0.80 -0.61 115.31 120.41 3dwc h LEU 22 Ca 0.12 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3dwc h LEU 22 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3dwc h LEU 22 CO 0.05 1.06 0.04 0.25 0.09 0.00 0.00 178.44 179.93 3dwc h LEU 23 N 0.62 0.20 -1.08 1.67 5.85 -1.03 -0.61 115.31 120.94 3dwc h LEU 23 Ca 0.06 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3dwc h LEU 23 Cb 0.89 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 3dwc h LEU 23 CO 0.08 0.35 0.62 0.00 -0.34 0.00 0.00 178.44 179.15 3dwc h ALA 24 N 0.86 1.53 -0.08 1.25 0.00 -1.22 0.87 119.26 122.46 3dwc h ALA 24 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dwc h ALA 24 Cb 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dwc h ALA 24 CO -0.00 0.28 -0.07 0.22 0.00 0.00 0.00 179.25 179.68 3dwc h ASP 25 N 1.01 0.21 -0.56 0.00 3.58 -0.95 -1.33 116.42 118.37 3dwc h ASP 25 Ca 0.45 -0.47 0.06 0.00 0.42 0.00 0.00 57.03 57.49 3dwc h ASP 25 Cb 0.36 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 3dwc h ASP 25 CO -0.20 0.63 0.26 -0.25 -2.88 0.00 0.00 179.24 176.80 3dwc h TRP 26 N -0.21 0.48 -0.41 0.28 7.01 -0.84 -2.89 115.95 119.37 3dwc h TRP 26 Ca 0.01 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 3dwc h TRP 26 Cb 0.57 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3dwc h TRP 26 CO 0.08 0.20 -0.03 0.22 -2.79 0.00 0.00 178.44 176.13 3dwc h ASP 27 N 0.50 0.73 -0.96 2.65 3.58 -0.83 -2.53 116.42 119.56 3dwc h ASP 27 Ca 0.26 -0.32 0.27 0.00 0.42 0.00 0.00 57.03 57.66 3dwc h ASP 27 Cb 0.22 -0.20 -0.14 0.00 1.72 0.00 0.00 39.33 40.94 3dwc h ASP 27 CO -0.21 0.87 0.48 -1.28 -2.88 0.00 0.00 179.24 176.23 3dwc h SER 28 N 0.56 0.43 0.55 2.28 0.87 -1.04 0.79 113.55 117.99 3dwc h SER 28 Ca 0.11 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3dwc h SER 28 Cb 0.52 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3dwc h SER 28 CO 0.03 -0.06 -0.59 1.41 -0.53 0.00 0.00 176.83 177.09 3dwc n HIS 29 N -5.04 0.13 0.01 2.24 8.25 -0.98 -4.40 115.22 115.42 3dwc n HIS 29 Ca 0.27 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.75 3dwc n HIS 29 Cb 0.81 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 3dwc n HIS 29 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3dwc n THR 30 N -1.66 0.58 -0.04 1.59 -2.24 -0.67 -4.44 114.28 107.39 3dwc n THR 30 Ca 0.05 0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.94 3dwc n THR 30 Cb 0.37 -1.58 -0.10 0.00 -2.10 0.00 0.00 70.33 66.91 3dwc n THR 30 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3dwc n MET 31 N -3.30 1.35 -2.30 -0.78 2.00 0.18 -4.95 117.12 109.32 3dwc n MET 31 Ca -0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 57.70 57.19 3dwc n MET 31 Cb 0.34 -1.33 -0.03 0.00 0.00 0.00 0.00 33.22 32.20 3dwc n MET 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3dwc s MET 32 N -2.56 4.35 0.00 0.03 1.75 -0.63 -5.04 119.30 117.20 3dwc s MET 32 Ca -0.06 1.90 0.00 0.00 -1.25 0.00 0.00 55.69 56.28 3dwc s MET 32 Cb 0.06 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 34.31 3dwc s MET 32 CO 0.54 -0.43 0.00 -0.35 -0.65 0.00 0.00 175.02 174.14 3dwc n PRO 33 N 4.53 0.00 0.00 4.11 -0.04 -1.26 -4.96 135.00 137.38 3dwc n PRO 33 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3dwc n PRO 33 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 3dwc n PRO 33 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dwc n LYS 35 N 0.00 0.00 -0.01 0.54 5.02 -1.26 -4.12 118.16 118.33 3dwc n LYS 35 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3dwc n LYS 35 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 35.72 3dwc n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwc n GLY 36 N 0.00 -0.76 0.10 0.72 0.00 -1.26 -4.36 105.19 99.63 3dwc n GLY 36 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3dwc n GLY 36 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3dwc h SER 37 N 0.48 0.23 -0.45 1.61 0.87 -1.96 -1.57 113.55 112.77 3dwc h SER 37 Ca 0.00 -0.61 0.02 0.00 -1.23 0.00 0.00 61.79 59.97 3dwc h SER 37 Cb 0.10 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3dwc h SER 37 CO 0.00 0.80 0.26 0.44 -0.53 0.00 0.00 176.83 177.80 3dwc h ASP 38 N -0.33 0.41 -0.27 6.23 3.32 -1.97 -1.85 116.42 121.96 3dwc h ASP 38 Ca -0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3dwc h ASP 38 Cb 0.78 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3dwc h ASP 38 CO 0.03 0.30 0.01 0.00 -1.72 0.00 0.00 179.24 177.86 3dwc h ALA 39 N 1.20 1.32 -0.10 3.45 0.00 -1.83 -2.19 119.26 121.12 3dwc h ALA 39 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dwc h ALA 39 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dwc h ALA 39 CO -0.09 0.46 -0.13 -0.09 0.00 0.00 0.00 179.25 179.40 3dwc h ARG 40 N 0.56 0.27 -0.71 0.00 9.65 -0.78 -2.38 114.38 121.00 3dwc h ARG 40 Ca 0.12 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 3dwc h ARG 40 Cb 0.34 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3dwc h ARG 40 CO 0.01 0.71 0.27 0.78 2.80 0.00 0.00 179.97 184.54 3dwc h GLY 41 N -0.15 1.14 0.93 2.80 0.00 -1.34 -0.47 103.07 105.99 3dwc h GLY 41 Ca 0.01 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 46.73 3dwc h GLY 41 CO 0.03 0.60 0.66 0.00 0.00 0.00 0.00 176.54 177.83 3dwc h ALA 42 N 1.12 1.33 -0.18 3.60 0.00 -1.42 -1.05 119.26 122.66 3dwc h ALA 42 Ca 0.23 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 3dwc h ALA 42 Cb 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dwc h ALA 42 CO -0.02 0.59 -0.68 0.00 0.00 0.00 0.00 179.25 179.14 3dwc h ALA 43 N 1.41 0.45 -0.66 0.00 0.00 -1.31 -2.20 119.26 116.94 3dwc h ALA 43 Ca 0.39 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3dwc h ALA 43 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dwc h ALA 43 CO -0.11 0.70 0.15 0.52 0.00 0.00 0.00 179.25 180.51 3dwc h MET 44 N 0.52 1.05 -0.50 0.00 2.86 -0.94 -2.62 114.93 115.31 3dwc h MET 44 Ca -0.02 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 3dwc h MET 44 Cb 1.28 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3dwc h MET 44 CO 0.14 0.94 -0.14 0.00 1.06 0.00 0.00 176.91 178.91 3dwc h ALA 45 N 1.16 0.81 -0.42 6.32 0.00 -1.16 -1.01 119.26 124.96 3dwc h ALA 45 Ca 0.21 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3dwc h ALA 45 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dwc h ALA 45 CO 0.00 0.66 -0.30 1.49 0.00 0.00 0.00 179.25 181.11 3dwc h GLU 46 N 0.85 0.93 -0.08 0.00 4.57 -1.31 -1.60 114.58 117.94 3dwc h GLU 46 Ca 0.13 -0.44 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 3dwc h GLU 46 Cb 0.69 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3dwc h GLU 46 CO 0.05 1.10 -0.12 1.25 -1.18 0.00 0.00 179.01 180.11 3dwc h LEU 47 N 0.79 0.25 -0.72 1.64 5.85 -1.33 -2.27 115.31 119.52 3dwc h LEU 47 Ca 0.09 -0.52 0.16 0.00 0.84 0.00 0.00 57.88 58.44 3dwc h LEU 47 Cb 0.87 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 41.70 3dwc h LEU 47 CO 0.08 0.73 -0.05 1.56 -0.34 0.00 0.00 178.44 180.42 3dwc h GLN 48 N -0.22 0.07 -0.73 1.25 4.20 -1.20 -0.84 115.11 117.65 3dwc h GLN 48 Ca 0.01 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 3dwc h GLN 48 Cb 0.67 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 3dwc h GLN 48 CO 0.03 0.05 0.42 1.25 -0.67 0.00 0.00 178.83 179.91 3dwc h LEU 49 N 0.07 0.65 -0.06 1.46 6.46 -1.22 -0.06 115.31 122.61 3dwc h LEU 49 Ca 0.38 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.15 3dwc h LEU 49 Cb 0.64 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3dwc h LEU 49 CO -0.66 0.42 -0.00 -0.74 -0.62 0.00 0.00 178.44 176.83 3dwc h HIS 50 N 0.78 0.12 -0.72 1.25 2.76 -0.67 0.11 115.15 118.78 3dwc h HIS 50 Ca 0.32 -0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.59 3dwc h HIS 50 Cb 0.18 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.02 3dwc h HIS 50 CO -0.06 0.38 0.31 0.52 -1.30 0.00 0.00 177.93 177.78 3dwc h MET 51 N -0.18 0.48 -0.14 5.26 2.86 -1.03 0.18 114.93 122.36 3dwc h MET 51 Ca 0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3dwc h MET 51 Cb 0.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3dwc h MET 51 CO 0.00 0.32 0.08 1.25 1.06 0.00 0.00 176.91 179.62 3dwc h HIS 52 N 0.49 0.18 -0.88 -0.22 6.17 -0.82 -1.87 115.15 118.21 3dwc h HIS 52 Ca 0.38 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.47 3dwc h HIS 52 Cb 0.51 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 30.33 3dwc h HIS 52 CO -0.15 0.15 0.58 -0.44 0.71 0.00 0.00 177.93 178.79 3dwc h ASP 53 N 0.16 0.99 -0.03 3.26 3.32 -0.19 -1.96 116.42 121.97 3dwc h ASP 53 Ca 0.05 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dwc h ASP 53 Cb 0.02 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3dwc h ASP 53 CO -0.01 0.70 0.01 0.74 -1.72 0.00 0.00 179.24 178.96 3dwc h THR 54 N 1.16 1.21 0.00 0.35 2.02 -0.44 -2.56 112.91 114.65 3dwc h THR 54 Ca 0.33 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3dwc h THR 54 Cb -0.09 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3dwc h THR 54 CO -0.08 0.17 0.00 -0.29 0.37 0.00 0.00 175.52 175.69 3dwc h ILE 55 N -0.20 0.00 -0.25 3.11 2.10 -1.27 -3.16 117.51 117.85 3dwc h ILE 55 Ca 0.01 -0.82 0.00 0.00 1.08 0.00 0.00 64.86 65.13 3dwc h ILE 55 Cb 0.27 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3dwc h ILE 55 CO 0.00 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.42 3dwc n THR 56 N -2.88 0.35 -1.72 2.19 -2.24 -0.75 -4.81 114.28 104.42 3dwc n THR 56 Ca 0.04 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 3dwc n THR 56 Cb 0.48 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 3dwc n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dwc n ALA 57 N 1.28 1.66 -0.24 6.98 0.00 -0.97 -4.85 120.51 124.37 3dwc n ALA 57 Ca 0.16 0.37 0.29 0.00 0.00 0.00 0.00 53.44 54.25 3dwc n ALA 57 Cb 0.55 -2.32 0.68 0.00 0.00 0.00 0.00 19.45 18.36 3dwc n ALA 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3dwc h PRO 58 N 3.15 0.09 -0.72 0.00 0.11 -1.93 -1.08 132.00 131.62 3dwc h PRO 58 Ca -0.47 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.72 3dwc h PRO 58 Cb 1.27 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3dwc h PRO 58 CO 0.67 0.06 0.47 -0.22 -0.21 0.00 0.00 178.00 178.77 3dwc h LYS 59 N 0.09 0.63 -0.21 1.05 3.64 -1.95 -2.91 116.57 116.91 3dwc h LYS 59 Ca 0.49 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 3dwc h LYS 59 Cb 1.78 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 3dwc h LYS 59 CO -0.06 0.42 -0.03 0.82 -2.27 0.00 0.00 179.45 178.32 3dwc h ILE 60 N 0.65 1.28 -0.29 2.00 1.08 -1.50 0.12 117.51 120.85 3dwc h ILE 60 Ca 0.33 -0.99 0.04 0.00 -0.39 0.00 0.00 64.86 63.85 3dwc h ILE 60 Cb 0.41 1.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 3dwc h ILE 60 CO -0.11 0.30 0.05 -0.09 -0.69 0.00 0.00 178.15 177.61 3dwc h ARG 61 N 0.14 0.15 -0.67 2.37 2.43 -1.66 -0.30 114.38 116.83 3dwc h ARG 61 Ca 0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3dwc h ARG 61 Cb 0.47 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3dwc h ARG 61 CO 0.02 0.10 0.41 0.00 -1.51 0.00 0.00 179.97 178.99 3dwc h ALA 62 N 1.22 0.86 -0.28 2.80 0.00 -1.30 -0.90 119.26 121.66 3dwc h ALA 62 Ca 0.14 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3dwc h ALA 62 Cb 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dwc h ALA 62 CO -0.19 0.33 -0.32 -0.07 0.00 0.00 0.00 179.25 179.00 3dwc h LEU 63 N 0.92 0.62 -0.34 0.00 3.38 -0.49 -0.09 115.31 119.31 3dwc h LEU 63 Ca 0.24 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3dwc h LEU 63 Cb -0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3dwc h LEU 63 CO -0.05 0.89 0.07 0.40 0.09 0.00 0.00 178.44 179.85 3dwc h ILE 64 N 0.51 1.23 -0.49 1.22 2.04 -0.69 -0.01 117.51 121.32 3dwc h ILE 64 Ca 0.06 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3dwc h ILE 64 Cb 0.80 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3dwc h ILE 64 CO 0.07 0.26 0.17 -0.33 0.00 0.00 0.00 178.15 178.32 3dwc h GLU 65 N 0.39 0.75 -0.59 2.37 5.08 -0.97 -0.98 114.58 120.63 3dwc h GLU 65 Ca 0.10 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dwc h GLU 65 Cb 0.32 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3dwc h GLU 65 CO 0.00 0.69 0.37 0.93 -1.00 0.00 0.00 179.01 180.00 3dwc h GLU 66 N 0.66 0.79 -0.39 2.33 4.39 -0.96 -2.49 114.58 118.91 3dwc h GLU 66 Ca 0.16 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 3dwc h GLU 66 Cb 0.23 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3dwc h GLU 66 CO -0.01 0.55 0.11 0.00 -1.16 0.00 0.00 179.01 178.50 3dwc h ALA 67 N 1.19 1.47 -0.03 3.43 0.00 -0.73 -2.90 119.26 121.69 3dwc h ALA 67 Ca 0.21 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 67 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dwc h ALA 67 CO -0.04 0.40 -0.57 0.93 0.00 0.00 0.00 179.25 179.97 3dwc h GLU 68 N 0.56 0.09 -0.07 0.00 5.08 -0.98 -2.73 114.58 116.54 3dwc h GLU 68 Ca 0.13 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dwc h GLU 68 Cb 0.18 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3dwc h GLU 68 CO -0.01 0.64 0.07 0.87 -1.00 0.00 0.00 179.01 179.58 3dwc h LYS 69 N 0.07 0.00 -0.46 2.33 1.57 -1.23 -2.95 116.57 115.90 3dwc h LYS 69 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 3dwc h LYS 69 Cb 1.02 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.00 3dwc h LYS 69 CO 0.08 0.00 -0.84 -1.13 -0.57 0.00 0.00 179.45 176.99 3dwc n SER 70 N -4.11 3.21 0.24 0.86 3.41 -1.05 -4.83 113.62 111.35 3dwc n SER 70 Ca -0.01 -3.26 0.09 0.00 -0.26 0.00 0.00 58.87 55.43 3dwc n SER 70 Cb 0.17 -0.41 0.61 0.00 -0.26 0.00 0.00 64.21 64.32 3dwc n SER 70 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3dwc h VAL 71 N 3.10 0.82 0.00 -3.33 3.04 -1.32 -2.38 116.25 116.17 3dwc h VAL 71 Ca 0.13 -0.67 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 3dwc h VAL 71 Cb 1.40 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.08 3dwc h VAL 71 CO 0.42 0.17 -0.21 1.23 -1.01 0.00 0.00 177.57 178.18 3dwc h GLY 72 N 0.83 0.00 2.00 3.17 0.00 -1.88 -1.64 103.07 105.56 3dwc h GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwc h GLY 72 CO 0.02 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.78 3dwc n ASP 73 N -4.03 0.25 -4.88 0.19 8.00 -0.90 -4.81 116.55 110.37 3dwc n ASP 73 Ca -0.02 0.57 -0.30 0.00 0.71 0.00 0.00 54.79 55.74 3dwc n ASP 73 Cb 0.28 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.72 3dwc n ASP 73 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dwc s LEU 74 N -3.57 4.07 0.80 0.64 1.43 -0.62 -5.06 118.68 116.37 3dwc s LEU 74 Ca 0.05 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 3dwc s LEU 74 Cb 0.08 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 42.67 3dwc s LEU 74 CO 0.27 -0.18 1.11 -1.61 0.23 0.00 0.00 176.35 176.17 3dwc s GLU 75 N -3.25 2.01 0.17 1.70 2.02 -1.26 -4.75 118.70 115.33 3dwc s GLU 75 Ca 0.47 1.27 -0.14 0.00 0.02 0.00 0.00 54.97 56.59 3dwc s GLU 75 Cb -0.11 -1.86 0.13 0.00 0.10 0.00 0.00 34.13 32.40 3dwc s GLU 75 CO 0.26 -1.85 1.73 -0.22 0.02 0.00 0.00 175.26 175.20 3dwc h LYS 76 N -1.23 0.25 0.00 1.61 3.64 -1.97 -0.04 116.57 118.83 3dwc h LYS 76 Ca -0.44 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.83 3dwc h LYS 76 Cb 1.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3dwc h LYS 76 CO 0.49 0.17 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.31 3dwc h LEU 77 N 0.26 0.00 -0.37 5.20 3.38 -1.96 -2.29 115.31 119.52 3dwc h LEU 77 Ca 0.21 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3dwc h LEU 77 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3dwc h LEU 77 CO -0.25 0.46 -0.33 1.56 0.09 0.00 0.00 178.44 179.97 3dwc h GLN 78 N 0.00 0.88 -0.12 1.13 4.20 -1.56 -1.17 115.11 118.47 3dwc h GLN 78 Ca -0.00 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.28 3dwc h GLN 78 Cb 0.87 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3dwc h GLN 78 CO 0.06 1.09 -0.03 0.00 -0.67 0.00 0.00 178.83 179.28 3dwc h ARG 79 N 0.69 -0.00 -0.66 1.46 3.08 -0.87 -0.12 114.38 117.95 3dwc h ARG 79 Ca 0.07 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.19 3dwc h ARG 79 Cb 0.91 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.90 3dwc h ARG 79 CO 0.08 -0.00 0.34 0.00 -1.07 0.00 0.00 179.97 179.32 3dwc h ALA 80 N 1.12 0.89 -0.54 0.04 0.00 -1.35 -1.83 119.26 117.60 3dwc h ALA 80 Ca 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3dwc h ALA 80 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3dwc h ALA 80 CO -0.12 -0.04 0.28 -0.97 0.00 0.00 0.00 179.25 178.40 3dwc h ASN 81 N 0.60 0.69 -0.73 0.00 -1.24 -0.65 -1.22 115.58 113.02 3dwc h ASN 81 Ca 0.31 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 3dwc h ASN 81 Cb 0.28 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 3dwc h ASN 81 CO -0.23 0.60 0.38 0.25 -1.29 0.00 0.00 177.43 177.14 3dwc h LEU 82 N 0.72 0.94 -0.62 0.34 5.85 -0.67 0.30 115.31 122.18 3dwc h LEU 82 Ca 0.19 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3dwc h LEU 82 Cb 0.07 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3dwc h LEU 82 CO -0.03 0.78 0.32 -0.09 -0.34 0.00 0.00 178.44 179.08 3dwc h ARG 83 N 1.05 0.58 -0.09 1.25 2.43 -0.82 -1.72 114.38 117.05 3dwc h ARG 83 Ca 0.26 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3dwc h ARG 83 Cb 0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3dwc h ARG 83 CO -0.04 0.38 -0.40 0.93 -1.51 0.00 0.00 179.97 179.33 3dwc h GLU 84 N 0.60 0.21 -0.15 0.20 4.39 0.11 -1.78 114.58 118.16 3dwc h GLU 84 Ca 0.28 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 3dwc h GLU 84 Cb 0.21 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3dwc h GLU 84 CO -0.19 0.58 0.00 0.52 -1.16 0.00 0.00 179.01 178.76 3dwc h MET 85 N 0.17 0.27 -0.62 2.33 2.86 -0.10 -1.21 114.93 118.64 3dwc h MET 85 Ca 0.02 -0.09 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3dwc h MET 85 Cb 0.79 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.37 3dwc h MET 85 CO 0.06 0.50 0.30 -0.09 1.06 0.00 0.00 176.91 178.74 3dwc h ARG 86 N 0.02 0.53 -0.12 1.72 2.43 -1.14 0.29 114.38 118.11 3dwc h ARG 86 Ca 0.04 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3dwc h ARG 86 Cb 0.37 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3dwc h ARG 86 CO 0.01 0.35 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.69 3dwc h ARG 87 N 0.54 -0.02 -0.90 0.20 2.43 -1.16 0.70 114.38 116.17 3dwc h ARG 87 Ca 0.30 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3dwc h ARG 87 Cb 0.27 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 3dwc h ARG 87 CO -0.23 -0.01 0.59 0.00 -1.51 0.00 0.00 179.97 178.81 3dwc h ALA 88 N 1.10 1.16 -0.11 2.80 0.00 -0.90 0.05 119.26 123.36 3dwc h ALA 88 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dwc h ALA 88 Cb 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3dwc h ALA 88 CO -0.14 0.51 0.04 2.35 0.00 0.00 0.00 179.25 182.02 3dwc h TRP 89 N 1.20 0.17 -0.90 0.00 7.01 -0.58 -3.05 115.95 119.80 3dwc h TRP 89 Ca 0.34 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 3dwc h TRP 89 Cb -0.10 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 26.87 3dwc h TRP 89 CO -0.01 0.27 0.49 0.93 -2.79 0.00 0.00 178.44 177.33 3dwc h GLU 90 N 0.02 1.26 -0.55 2.65 5.08 -0.51 -0.37 114.58 122.16 3dwc h GLU 90 Ca 0.04 -0.15 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3dwc h GLU 90 Cb 0.18 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3dwc h GLU 90 CO -0.00 0.92 0.37 -0.07 -1.00 0.00 0.00 179.01 179.23 3dwc h LEU 91 N 1.26 0.29 0.00 1.33 3.38 -0.90 -2.30 115.31 118.37 3dwc h LEU 91 Ca 0.32 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.07 3dwc h LEU 91 Cb 0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3dwc h LEU 91 CO -0.05 0.18 -1.87 -0.62 0.09 0.00 0.00 178.44 176.17 3dwc n GLU 92 N -4.46 0.65 -0.01 1.13 -0.58 -0.87 -4.60 120.64 111.90 3dwc n GLU 92 Ca 0.09 0.08 0.10 0.00 -0.42 0.00 0.00 57.16 57.01 3dwc n GLU 92 Cb 0.38 -1.66 -0.16 0.00 -0.57 0.00 0.00 31.44 29.44 3dwc n GLU 92 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3dwc n ASN 93 N -2.74 0.35 0.15 1.62 2.85 -0.20 -4.31 115.26 112.98 3dwc n ASN 93 Ca -0.17 -0.09 0.13 0.00 -0.11 0.00 0.00 54.58 54.34 3dwc n ASN 93 Cb 0.92 1.85 0.39 0.00 1.24 0.00 0.00 39.78 44.18 3dwc n ASN 93 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3dwc h LEU 94 N 0.00 0.00 -9.15 1.20 3.38 -1.65 -3.42 115.31 105.67 3dwc h LEU 94 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3dwc h LEU 94 Cb 0.90 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 3dwc h LEU 94 CO 0.00 0.00 -0.19 -0.76 0.09 0.00 0.00 178.44 177.58 3dwc s LEU 95 N -5.04 4.16 0.79 1.67 1.43 -1.26 -4.75 118.68 115.68 3dwc s LEU 95 Ca 0.08 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 3dwc s LEU 95 Cb 0.10 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.87 3dwc s LEU 95 CO 0.58 -0.07 1.18 -2.84 0.23 0.00 0.00 176.35 175.42 3dwc s PRO 96 N 1.28 1.80 0.49 1.29 0.02 -1.26 -4.74 135.00 133.88 3dwc s PRO 96 Ca 0.19 1.65 0.27 0.00 0.02 0.00 0.00 61.00 63.13 3dwc s PRO 96 Cb -0.15 -1.81 1.24 0.00 0.02 0.00 0.00 34.50 33.81 3dwc s PRO 96 CO 0.08 -2.07 1.97 0.93 -0.33 0.00 0.00 177.00 177.58 3dwc h GLU 97 N -0.86 0.00 -0.33 5.54 5.08 -1.96 0.20 114.58 122.25 3dwc h GLU 97 Ca -0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 3dwc h GLU 97 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 3dwc h GLU 97 CO 0.47 0.16 -0.02 1.49 -1.00 0.00 0.00 179.01 180.12 3dwc h GLU 98 N 0.00 0.52 0.11 2.33 4.22 -2.00 -1.58 114.58 118.18 3dwc h GLU 98 Ca -0.00 -0.11 -0.15 0.00 0.08 0.00 0.00 59.36 59.18 3dwc h GLU 98 Cb 0.52 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.71 3dwc h GLU 98 CO 0.02 0.56 -0.65 0.35 -2.18 0.00 0.00 179.01 177.11 3dwc h PHE 99 N 0.50 0.41 -0.89 0.92 3.57 -1.63 -3.07 116.94 116.73 3dwc h PHE 99 Ca 0.11 -0.30 0.06 0.00 3.53 0.00 0.00 57.97 61.37 3dwc h PHE 99 Cb 0.35 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3dwc h PHE 99 CO 0.01 1.25 0.58 0.28 -2.23 0.00 0.00 178.31 178.20 3dwc h VAL 100 N -0.53 1.09 -0.09 1.41 2.07 -0.88 0.38 116.25 119.70 3dwc h VAL 100 Ca -0.12 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 3dwc h VAL 100 Cb 1.49 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3dwc h VAL 100 CO 0.11 0.19 -0.28 -0.33 0.02 0.00 0.00 177.57 177.27 3dwc h GLU 101 N 1.04 0.35 -0.02 1.57 5.08 -1.44 -2.60 114.58 118.56 3dwc h GLU 101 Ca 0.38 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3dwc h GLU 101 Cb 0.16 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dwc h GLU 101 CO -0.13 0.88 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.61 3dwc h ARG 102 N -0.11 0.02 0.05 2.33 2.43 -1.27 -1.67 114.38 116.16 3dwc h ARG 102 Ca -0.01 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 3dwc h ARG 102 Cb 0.91 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3dwc h ARG 102 CO 0.06 0.08 -1.05 -0.22 -1.51 0.00 0.00 179.97 177.33 3dwc h LYS 103 N 0.02 0.37 0.00 0.20 3.64 -0.97 -3.25 116.57 116.59 3dwc h LYS 103 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3dwc h LYS 103 Cb 0.11 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3dwc h LYS 103 CO 0.01 1.15 0.00 1.15 -2.27 0.00 0.00 179.45 179.49 3dwc h THR 104 N 0.18 0.00 0.01 1.00 2.02 -0.92 -0.04 112.91 115.15 3dwc h THR 104 Ca -0.10 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3dwc h THR 104 Cb 1.71 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 3dwc h THR 104 CO 0.18 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.65 3dwc h VAL 105 N 0.00 1.13 0.47 3.16 2.07 -1.43 -3.37 116.25 118.28 3dwc h VAL 105 Ca 0.00 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.68 3dwc h VAL 105 Cb 0.62 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3dwc h VAL 105 CO 0.00 0.38 -0.26 0.25 0.02 0.00 0.00 177.57 177.96 3dwc h LEU 106 N -0.99 -0.64 -7.86 2.57 5.85 -1.58 -3.52 115.31 109.13 3dwc h LEU 106 Ca -0.00 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 3dwc h LEU 106 Cb 0.63 0.18 0.02 0.00 0.37 0.00 0.00 40.66 41.86 3dwc h LEU 106 CO 0.00 -0.43 0.66 0.41 -0.34 0.00 0.00 178.44 178.75 3dwc n THR 107 N -5.40 0.00 -0.07 1.05 -1.04 -0.03 -5.07 114.28 103.72 3dwc n THR 107 Ca -0.11 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 61.53 3dwc n THR 107 Cb 0.30 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 67.80 3dwc n THR 107 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dwc h LEU 127 N 14.32 -1.28 -0.84 -4.42 5.85 -2.00 -3.46 115.31 123.49 3dwc h LEU 127 Ca 0.04 0.16 0.17 0.00 0.84 0.00 0.00 57.88 59.09 3dwc h LEU 127 Cb 0.86 0.52 -0.16 0.00 0.37 0.00 0.00 40.66 42.25 3dwc h LEU 127 CO 1.08 -0.30 -0.19 1.55 -0.34 0.00 0.00 178.44 180.23 3dwc h PRO 128 N -0.32 0.00 -0.89 5.25 0.13 -2.01 0.33 132.00 134.50 3dwc h PRO 128 Ca 0.04 -0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.35 3dwc h PRO 128 Cb 0.44 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.40 3dwc h PRO 128 CO -0.38 0.00 -0.21 1.15 -0.23 0.00 0.00 178.00 178.33 3dwc h THR 129 N 0.00 0.11 -0.57 1.56 2.02 -2.03 -2.74 112.91 111.27 3dwc h THR 129 Ca 0.41 -0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.49 3dwc h THR 129 Cb 0.63 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3dwc h THR 129 CO -0.86 0.00 -0.04 0.25 0.37 0.00 0.00 175.52 175.24 3dwc h LEU 130 N 0.00 1.02 -1.73 2.58 7.12 -0.76 1.15 115.31 124.70 3dwc h LEU 130 Ca 0.43 -0.32 0.02 0.00 0.13 0.00 0.00 57.88 58.14 3dwc h LEU 130 Cb 0.67 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 3dwc h LEU 130 CO -0.92 1.10 0.22 0.11 -0.13 0.00 0.00 178.44 178.83 3dwc h LYS 131 N 0.92 0.35 0.20 1.25 1.57 -1.32 0.35 116.57 119.89 3dwc h LYS 131 Ca 0.16 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.58 3dwc h LYS 131 Cb 0.60 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.85 3dwc h LYS 131 CO 0.04 0.23 -1.59 0.93 -0.57 0.00 0.00 179.45 178.49 3dwc h GLU 132 N 0.36 0.42 -0.74 3.15 5.08 -0.67 -2.25 114.58 119.94 3dwc h GLU 132 Ca 0.13 -0.73 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 3dwc h GLU 132 Cb 0.09 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3dwc h GLU 132 CO -0.03 1.33 0.48 -0.07 -1.00 0.00 0.00 179.01 179.72 3dwc h LEU 133 N 0.12 0.82 -0.24 1.33 3.38 0.16 -2.57 115.31 118.30 3dwc h LEU 133 Ca -0.29 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3dwc h LEU 133 Cb 2.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 3dwc h LEU 133 CO 0.22 0.58 -0.09 0.40 0.09 0.00 0.00 178.44 179.64 3dwc h ILE 134 N 0.97 1.29 0.00 1.22 1.08 -0.35 -1.40 117.51 120.32 3dwc h ILE 134 Ca 0.28 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 3dwc h ILE 134 Cb -0.07 1.52 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 3dwc h ILE 134 CO -0.07 0.35 -0.04 0.00 -0.69 0.00 0.00 178.15 177.70 3dwc h ALA 135 N 0.74 1.04 0.11 1.87 0.00 -1.41 -1.33 119.26 120.27 3dwc h ALA 135 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3dwc h ALA 135 Cb 0.57 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3dwc h ALA 135 CO 0.03 0.05 -0.92 1.25 0.00 0.00 0.00 179.25 179.66 3dwc h LEU 136 N 0.00 0.35 -0.80 0.00 6.46 -1.26 -3.06 115.31 117.00 3dwc h LEU 136 Ca -0.00 -0.90 0.07 0.00 -0.12 0.00 0.00 57.88 56.93 3dwc h LEU 136 Cb 0.40 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.15 3dwc h LEU 136 CO 0.01 1.42 0.48 -0.26 -0.62 0.00 0.00 178.44 179.46 3dwc h PHE 137 N -0.48 0.87 -0.39 1.25 0.04 -0.92 0.74 116.94 118.05 3dwc h PHE 137 Ca -0.19 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.63 3dwc h PHE 137 Cb 1.57 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 3dwc h PHE 137 CO 0.18 0.41 0.26 0.00 -0.60 0.00 0.00 178.31 178.56 3dwc h ARG 138 N 0.84 0.43 0.01 1.51 3.08 -1.38 -0.54 114.38 118.34 3dwc h ARG 138 Ca 0.37 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 3dwc h ARG 138 Cb 0.24 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3dwc h ARG 138 CO -0.20 0.29 -0.01 1.49 -1.07 0.00 0.00 179.97 180.47 3dwc h GLU 139 N 0.44 -0.02 -0.65 0.04 4.57 -0.86 -2.99 114.58 115.11 3dwc h GLU 139 Ca 0.15 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.47 3dwc h GLU 139 Cb 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.54 3dwc h GLU 139 CO -0.04 0.77 -0.17 1.49 -1.18 0.00 0.00 179.01 179.89 3dwc h GLU 140 N -0.86 -0.00 -0.13 1.92 4.81 0.50 -0.13 114.58 120.70 3dwc h GLU 140 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3dwc h GLU 140 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3dwc h GLU 140 CO 0.00 -0.00 0.06 0.78 -0.73 0.00 0.00 179.01 179.12 3dwc h GLY 141 N -0.00 0.16 0.40 1.92 0.00 -1.20 0.13 103.07 104.48 3dwc h GLY 141 Ca 0.31 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.72 3dwc h GLY 141 CO -0.68 0.04 0.47 0.50 0.00 0.00 0.00 176.54 176.87 3dwc h LYS 142 N 0.14 0.71 0.14 4.80 1.57 -1.13 0.21 116.57 123.01 3dwc h LYS 142 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3dwc h LYS 142 Cb 0.01 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3dwc h LYS 142 CO -0.03 0.47 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.18 3dwc h LEU 143 N 0.73 -0.16 -1.92 2.94 3.38 -0.65 -3.11 115.31 116.53 3dwc h LEU 143 Ca 0.43 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3dwc h LEU 143 Cb 0.49 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dwc h LEU 143 CO -0.29 0.25 -0.11 0.03 0.09 0.00 0.00 178.44 178.40 3dwc h ARG 144 N -0.60 0.00 0.00 1.13 3.08 -0.48 0.23 114.38 117.74 3dwc h ARG 144 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3dwc h ARG 144 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3dwc h ARG 144 CO 0.03 0.11 -0.07 0.00 -1.07 0.00 0.00 179.97 178.97 3dwc h ALA 145 N 1.89 1.54 -0.96 0.04 0.00 -0.52 -3.48 119.26 117.77 3dwc h ALA 145 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dwc h ALA 145 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dwc h ALA 145 CO 0.01 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3dwc n GLY 146 N -1.09 3.96 2.18 0.00 0.00 0.07 -1.46 105.19 108.84 3dwc n GLY 146 Ca -0.03 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3dwc n GLY 146 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dwc n ASN 147 N 6.81 4.34 0.23 1.61 2.04 -1.26 -4.75 115.26 124.28 3dwc n ASN 147 Ca 0.00 -3.46 0.12 0.00 -0.44 0.00 0.00 54.58 50.81 3dwc n ASN 147 Cb 0.00 -0.37 0.34 0.00 -2.53 0.00 0.00 39.78 37.22 3dwc n ASN 147 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 3dwc h SER 148 N 2.27 0.00 0.00 0.53 4.64 -1.64 -3.47 113.55 115.89 3dwc h SER 148 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3dwc h SER 148 Cb 1.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 3dwc h SER 148 CO 0.67 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 3dwc n GLY 149 N 0.70 0.78 3.76 -0.77 0.00 -1.26 -5.03 105.19 103.37 3dwc n GLY 149 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3dwc n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwc s LYS 150 N -0.31 4.48 0.26 1.61 1.02 -1.26 -4.98 119.74 120.56 3dwc s LYS 150 Ca 0.00 1.90 -0.30 0.00 0.02 0.00 0.00 55.97 57.59 3dwc s LYS 150 Cb 0.00 -3.07 -0.14 0.00 -0.52 0.00 0.00 37.83 34.11 3dwc s LYS 150 CO 0.00 0.03 1.26 1.58 -0.92 0.00 0.00 175.35 177.30 3dwc n HIS 151 N 0.90 1.88 -0.32 3.18 -0.00 -1.26 -4.83 115.22 114.77 3dwc n HIS 151 Ca 0.00 0.55 0.09 0.00 -0.00 0.00 0.00 57.72 58.36 3dwc n HIS 151 Cb 0.44 -2.38 0.25 0.00 -0.00 0.00 0.00 29.99 28.31 3dwc n HIS 151 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3dwc h PRO 152 N 3.24 0.67 -0.43 1.57 0.11 -1.94 -1.99 132.00 133.23 3dwc h PRO 152 Ca -0.44 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3dwc h PRO 152 Cb 1.30 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dwc h PRO 152 CO 0.69 0.45 -0.23 -0.92 -0.21 0.00 0.00 178.00 177.77 3dwc h TYR 153 N 0.69 1.01 -0.65 0.65 3.20 -1.90 -2.17 116.97 117.80 3dwc h TYR 153 Ca 0.50 -0.24 0.09 0.00 3.14 0.00 0.00 58.73 62.22 3dwc h TYR 153 Cb 0.71 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 3dwc h TYR 153 CO -0.06 1.02 0.28 1.49 -1.64 0.00 0.00 178.16 179.25 3dwc h GLU 154 N 0.76 0.48 -0.10 1.82 4.81 -1.75 0.42 114.58 121.02 3dwc h GLU 154 Ca 0.10 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dwc h GLU 154 Cb 0.77 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3dwc h GLU 154 CO 0.06 0.31 0.04 0.00 -0.73 0.00 0.00 179.01 178.70 3dwc h ALA 155 N 1.42 1.89 0.06 2.92 0.00 -1.11 -0.03 119.26 124.40 3dwc h ALA 155 Ca 0.32 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3dwc h ALA 155 Cb 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dwc h ALA 155 CO -0.29 0.10 -0.53 -0.07 0.00 0.00 0.00 179.25 178.46 3dwc h LEU 156 N 0.14 0.37 -0.80 0.00 3.38 -0.63 -3.31 115.31 114.46 3dwc h LEU 156 Ca 0.04 -0.87 0.03 0.00 0.09 0.00 0.00 57.88 57.17 3dwc h LEU 156 Cb 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3dwc h LEU 156 CO -0.00 1.21 0.51 0.58 0.09 0.00 0.00 178.44 180.82 3dwc h VAL 157 N -0.41 1.12 -1.12 1.22 2.07 -0.82 -2.06 116.25 116.26 3dwc h VAL 157 Ca -0.08 -0.34 0.32 0.00 0.82 0.00 0.00 66.70 67.42 3dwc h VAL 157 Cb 1.34 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3dwc h VAL 157 CO 0.10 0.18 0.82 -0.78 0.02 0.00 0.00 177.57 177.91 3dwc h ASP 158 N 0.99 0.00 -0.78 0.57 3.58 -1.10 0.16 116.42 119.84 3dwc h ASP 158 Ca 0.32 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.82 3dwc h ASP 158 Cb 0.02 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 3dwc h ASP 158 CO -0.12 0.00 0.48 0.40 -2.88 0.00 0.00 179.24 177.12 3dwc h ILE 159 N 0.00 1.05 0.00 2.25 2.04 -1.45 -2.93 117.51 118.47 3dwc h ILE 159 Ca 0.53 -0.31 -0.20 0.00 1.00 0.00 0.00 64.86 65.89 3dwc h ILE 159 Cb 2.16 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3dwc h ILE 159 CO -0.01 0.16 -2.18 -1.22 0.00 0.00 0.00 178.15 174.91 3dwc n TYR 160 N -4.66 0.04 -3.31 1.37 4.01 0.30 -4.69 117.16 110.22 3dwc n TYR 160 Ca 0.10 0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.60 3dwc n TYR 160 Cb 0.14 -0.78 -0.08 0.00 -0.31 0.00 0.00 39.34 38.31 3dwc n TYR 160 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3dwc n GLU 161 N -2.54 0.87 -1.61 -0.72 4.07 0.21 -1.65 120.64 119.28 3dwc n GLU 161 Ca -0.19 -3.47 -0.46 0.00 -0.06 0.00 0.00 57.16 52.98 3dwc n GLU 161 Cb 0.89 -1.53 -0.03 0.00 -0.06 0.00 0.00 31.44 30.71 3dwc n GLU 161 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3dwc n PRO 162 N 1.74 1.49 0.00 5.31 -0.04 -1.11 -2.13 135.00 140.26 3dwc n PRO 162 Ca 0.24 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 3dwc n PRO 162 Cb 0.49 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3dwc n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dwc n GLY 163 N 1.79 2.17 3.69 0.55 0.00 -1.26 -4.78 105.19 107.35 3dwc n GLY 163 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3dwc n GLY 163 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dwc s MET 164 N -0.52 4.37 0.27 1.61 0.00 -0.90 -5.01 119.30 119.11 3dwc s MET 164 Ca 0.00 1.66 -0.01 0.00 0.00 0.00 0.00 55.69 57.34 3dwc s MET 164 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 34.83 31.25 3dwc s MET 164 CO 0.00 -0.42 0.47 0.95 0.00 0.00 0.00 175.02 176.02 3dwc s THR 165 N 2.10 5.14 0.18 10.11 -4.23 -1.26 -4.66 115.64 123.02 3dwc s THR 165 Ca 0.56 -0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 60.66 3dwc s THR 165 Cb -0.25 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.73 3dwc s THR 165 CO 0.22 -0.34 1.46 0.25 -0.54 0.00 0.00 174.62 175.67 3dwc h LEU 166 N 1.46 0.61 -0.47 4.79 5.85 -1.95 -0.75 115.31 124.85 3dwc h LEU 166 Ca -0.49 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 57.96 3dwc h LEU 166 Cb 1.20 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 3dwc h LEU 166 CO 0.65 1.08 0.08 -0.61 -0.34 0.00 0.00 178.44 179.30 3dwc h GLN 167 N 0.39 0.20 -0.42 1.25 4.15 -1.99 -0.37 115.11 118.31 3dwc h GLN 167 Ca -0.01 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 3dwc h GLN 167 Cb 1.19 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 3dwc h GLN 167 CO 0.12 0.13 -0.27 -0.09 -1.93 0.00 0.00 178.83 176.79 3dwc h ARG 168 N 0.21 0.90 -0.56 1.69 9.65 -1.88 -2.47 114.38 121.92 3dwc h ARG 168 Ca 0.23 -0.41 -0.06 0.00 -1.10 0.00 0.00 59.98 58.64 3dwc h ARG 168 Cb 0.31 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 3dwc h ARG 168 CO -0.32 1.06 0.11 -0.07 2.80 0.00 0.00 179.97 183.55 3dwc h LEU 169 N 0.77 0.87 -0.73 3.80 3.38 -0.73 -0.66 115.31 122.00 3dwc h LEU 169 Ca 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3dwc h LEU 169 Cb 0.83 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3dwc h LEU 169 CO 0.07 0.90 0.44 0.44 0.09 0.00 0.00 178.44 180.38 3dwc h ASP 170 N 0.80 0.88 -0.29 -0.43 3.45 -1.07 -0.57 116.42 119.19 3dwc h ASP 170 Ca 0.17 -0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.59 3dwc h ASP 170 Cb 0.39 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 3dwc h ASP 170 CO 0.01 0.69 0.15 -0.33 -1.57 0.00 0.00 179.24 178.18 3dwc h GLU 171 N 1.00 0.30 0.38 3.56 5.08 -0.91 0.13 114.58 124.13 3dwc h GLU 171 Ca 0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3dwc h GLU 171 Cb -0.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3dwc h GLU 171 CO -0.05 0.20 -0.18 0.82 -1.00 0.00 0.00 179.01 178.79 3dwc h ILE 172 N 0.31 0.63 -0.10 3.13 2.04 -0.91 -0.14 117.51 122.46 3dwc h ILE 172 Ca 0.12 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 3dwc h ILE 172 Cb 0.04 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3dwc h ILE 172 CO -0.08 0.05 -0.53 -0.26 0.00 0.00 0.00 178.15 177.33 3dwc h PHE 173 N -0.66 0.34 -0.24 1.37 0.04 -1.14 -2.38 116.94 114.28 3dwc h PHE 173 Ca -0.05 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 3dwc h PHE 173 Cb 0.48 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3dwc h PHE 173 CO -0.02 0.75 -0.07 0.78 -0.60 0.00 0.00 178.31 179.15 3dwc h GLY 174 N 1.35 0.40 0.92 -1.45 0.00 -0.70 -1.16 103.07 102.43 3dwc h GLY 174 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3dwc h GLY 174 CO 0.08 0.22 -0.42 -0.57 0.00 0.00 0.00 176.54 175.85 3dwc h ASN 175 N 0.35 -1.03 -1.02 0.19 -0.73 -0.57 -2.83 115.58 109.95 3dwc h ASN 175 Ca 0.07 0.05 0.25 0.00 1.87 0.00 0.00 56.30 58.54 3dwc h ASN 175 Cb 0.35 0.28 -0.10 0.00 0.27 0.00 0.00 38.32 39.12 3dwc h ASN 175 CO 0.02 -0.68 0.64 0.58 -0.37 0.00 0.00 177.43 177.62 3dwc h VAL 176 N -1.11 0.55 0.00 2.57 2.07 -1.26 -0.81 116.25 118.25 3dwc h VAL 176 Ca -0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dwc h VAL 176 Cb 0.87 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3dwc h VAL 176 CO 0.14 0.09 0.00 -0.09 0.02 0.00 0.00 177.57 177.73 3dwc h ARG 177 N 0.48 0.00 -0.00 1.57 2.43 -0.98 -0.28 114.38 117.60 3dwc h ARG 177 Ca 0.61 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 3dwc h ARG 177 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3dwc h ARG 177 CO -0.36 0.00 -0.15 -1.13 -1.51 0.00 0.00 179.97 176.82 3dwc n SER 178 N -2.92 0.21 0.00 -3.80 3.41 -0.31 -4.54 113.62 105.67 3dwc n SER 178 Ca 0.02 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3dwc n SER 178 Cb 0.36 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3dwc n SER 178 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 3dwc n TRP 179 N -1.39 0.00 -0.06 7.33 4.27 -1.05 -4.97 117.44 121.57 3dwc n TRP 179 Ca 0.08 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.56 3dwc n TRP 179 Cb 0.32 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.21 3dwc n TRP 179 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 3dwc h LEU 180 N 0.00 0.55 -0.86 5.67 5.85 -1.29 -1.21 115.31 124.03 3dwc h LEU 180 Ca 0.00 -0.52 0.16 0.00 0.84 0.00 0.00 57.88 58.36 3dwc h LEU 180 Cb 0.00 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 40.77 3dwc h LEU 180 CO 0.00 0.97 0.43 -0.65 -0.34 0.00 0.00 178.44 178.85 3dwc h PRO 181 N 0.15 0.56 -0.11 5.25 0.11 -1.83 -0.32 132.00 135.80 3dwc h PRO 181 Ca 0.02 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.96 3dwc h PRO 181 Cb 0.85 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3dwc h PRO 181 CO 0.06 0.37 -0.43 0.93 -0.21 0.00 0.00 178.00 178.72 3dwc h GLU 182 N 0.57 0.49 -0.73 1.05 3.07 -1.90 -2.79 114.58 114.35 3dwc h GLU 182 Ca 0.48 -0.38 0.06 0.00 -0.50 0.00 0.00 59.36 59.03 3dwc h GLU 182 Cb 0.74 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.67 3dwc h GLU 182 CO -0.40 1.00 0.42 1.25 -1.40 0.00 0.00 179.01 179.88 3dwc h LEU 183 N 0.09 0.63 -0.21 1.33 5.85 -0.92 0.46 115.31 122.54 3dwc h LEU 183 Ca -0.02 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3dwc h LEU 183 Cb 1.06 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3dwc h LEU 183 CO 0.09 0.40 -0.14 0.25 -0.34 0.00 0.00 178.44 178.70 3dwc h LEU 184 N 0.76 -0.45 -0.51 2.25 5.85 -1.03 0.12 115.31 122.31 3dwc h LEU 184 Ca 0.33 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 3dwc h LEU 184 Cb 0.20 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3dwc h LEU 184 CO -0.19 -0.18 0.30 0.11 -0.34 0.00 0.00 178.44 178.15 3dwc h LYS 185 N -0.13 0.69 0.06 1.25 1.57 -1.12 -1.03 116.57 117.86 3dwc h LYS 185 Ca 0.12 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3dwc h LYS 185 Cb 0.31 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3dwc h LYS 185 CO -0.29 0.51 -0.29 1.49 -0.57 0.00 0.00 179.45 180.30 3dwc h GLU 186 N 0.68 -0.45 -0.78 3.15 4.81 -0.51 -2.29 114.58 119.19 3dwc h GLU 186 Ca 0.18 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3dwc h GLU 186 Cb -0.00 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3dwc h GLU 186 CO -0.03 -0.30 0.46 0.28 -0.73 0.00 0.00 179.01 178.69 3dwc h VAL 187 N -0.46 1.22 -0.99 0.32 2.07 -0.59 -1.05 116.25 116.76 3dwc h VAL 187 Ca 0.05 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.17 3dwc h VAL 187 Cb 0.52 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 3dwc h VAL 187 CO -0.21 0.24 0.63 1.56 0.02 0.00 0.00 177.57 179.81 3dwc h GLN 188 N 1.08 0.97 0.11 1.57 4.20 -0.91 -1.13 115.11 120.99 3dwc h GLN 188 Ca 0.28 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.72 3dwc h GLN 188 Cb -0.02 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.55 3dwc h GLN 188 CO -0.05 0.64 -1.03 0.93 -0.67 0.00 0.00 178.83 178.66 3dwc h GLU 189 N 1.00 0.24 -1.00 1.46 4.39 -1.09 -0.30 114.58 119.28 3dwc h GLU 189 Ca 0.48 -0.41 0.27 0.00 0.34 0.00 0.00 59.36 60.05 3dwc h GLU 189 Cb 0.45 0.15 -0.19 0.00 -0.10 0.00 0.00 28.75 29.06 3dwc h GLU 189 CO -0.24 1.20 0.02 -0.22 -1.16 0.00 0.00 179.01 178.60 3dwc h LYS 190 N -0.42 0.00 0.06 2.33 3.64 -1.11 0.90 116.57 121.97 3dwc h LYS 190 Ca -0.21 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.99 3dwc h LYS 190 Cb 1.63 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.46 3dwc h LYS 190 CO 0.08 0.00 -0.75 1.96 -2.27 0.00 0.00 179.45 178.48 3dwc h GLN 191 N 0.00 0.41 -0.41 1.90 4.20 -1.21 -2.63 115.11 117.36 3dwc h GLN 191 Ca 0.61 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3dwc h GLN 191 Cb 1.25 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.17 3dwc h GLN 191 CO -0.94 1.18 0.09 -0.22 -0.67 0.00 0.00 178.83 178.27 3dwc h LYS 192 N -0.13 0.67 0.29 1.46 3.64 -0.22 -2.21 116.57 120.07 3dwc h LYS 192 Ca -0.11 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3dwc h LYS 192 Cb 1.49 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 3dwc h LYS 192 CO 0.14 0.69 -0.42 0.00 -2.27 0.00 0.00 179.45 177.59 3dwc h ALA 193 N 0.95 -1.02 -0.88 5.00 0.00 0.70 -3.09 119.26 120.92 3dwc h ALA 193 Ca 0.13 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.08 3dwc h ALA 193 Cb 0.33 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3dwc h ALA 193 CO 0.00 -1.08 0.57 -0.07 0.00 0.00 0.00 179.25 178.68 3dwc h LEU 194 N -0.75 0.51 -1.34 0.00 3.38 -1.32 -3.46 115.31 112.33 3dwc h LEU 194 Ca -0.03 0.04 -0.46 0.00 0.09 0.00 0.00 57.88 57.52 3dwc h LEU 194 Cb 0.68 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3dwc h LEU 194 CO -0.12 0.23 -0.80 0.61 0.09 0.00 0.00 178.44 178.45 3dwc n GLY 195 N -1.48 -0.40 3.76 0.83 0.00 -0.85 -4.94 105.19 102.12 3dwc n GLY 195 Ca 0.18 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 3dwc n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dwc s GLU 196 N -6.41 3.54 -0.14 1.61 2.12 -1.26 -4.97 118.70 113.19 3dwc s GLU 196 Ca 0.38 1.93 -0.29 0.00 0.36 0.00 0.00 54.97 57.35 3dwc s GLU 196 Cb -0.19 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 3dwc s GLU 196 CO 0.83 -0.77 1.14 0.99 -0.54 0.00 0.00 175.26 176.91 3dwc s THR 197 N -1.46 4.47 -0.23 -1.70 2.01 -1.26 -5.01 115.64 112.46 3dwc s THR 197 Ca 0.66 1.78 0.02 0.00 0.31 0.00 0.00 61.69 64.46 3dwc s THR 197 Cb -0.33 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.08 3dwc s THR 197 CO 0.39 -0.09 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.40 3dwc s VAL 198 N 2.82 2.22 -0.28 3.82 1.01 -1.26 -5.00 120.40 123.73 3dwc s VAL 198 Ca 0.51 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 3dwc s VAL 198 Cb -0.20 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3dwc s VAL 198 CO 0.15 0.23 0.54 -0.76 0.00 0.00 0.00 175.10 175.26 3dwc s LEU 199 N 1.21 4.10 -0.04 3.92 1.43 -1.26 -5.04 118.68 122.99 3dwc s LEU 199 Ca -0.02 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 3dwc s LEU 199 Cb -0.17 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3dwc s LEU 199 CO -0.08 -0.35 1.16 -0.70 0.23 0.00 0.00 176.35 176.61 3dwc s GLU 200 N 2.39 4.39 0.36 1.70 2.56 -1.26 -4.72 118.70 124.12 3dwc s GLU 200 Ca 0.22 1.63 -0.27 0.00 0.00 0.00 0.00 54.97 56.54 3dwc s GLU 200 Cb -0.15 -3.52 -0.12 0.00 2.00 0.00 0.00 34.13 32.34 3dwc s GLU 200 CO 0.10 -0.37 1.31 -2.30 -0.56 0.00 0.00 175.26 173.44 3dwc n PRO 201 N 4.91 2.17 -4.47 4.30 -0.02 -1.26 -4.86 135.00 135.76 3dwc n PRO 201 Ca 0.10 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 62.01 3dwc n PRO 201 Cb 0.47 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.43 3dwc n PRO 201 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3dwc s LYS 202 N -1.98 3.55 0.70 -0.52 -0.14 -1.26 -4.98 119.74 115.12 3dwc s LYS 202 Ca 0.56 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.54 3dwc s LYS 202 Cb -0.54 -2.84 0.15 0.00 -1.68 0.00 0.00 37.83 32.92 3dwc s LYS 202 CO 0.62 0.19 0.96 0.41 -0.76 0.00 0.00 175.35 176.76 3dwc n GLY 203 N 3.67 -0.10 3.78 -3.33 0.00 -1.26 -4.80 105.19 103.14 3dwc n GLY 203 Ca -0.18 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 3dwc n GLY 203 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwc s PRO 204 N -5.00 3.89 -0.44 1.61 0.04 -1.26 -5.06 135.00 128.78 3dwc s PRO 204 Ca 0.60 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.27 3dwc s PRO 204 Cb -0.03 -2.45 0.12 0.00 0.04 0.00 0.00 34.50 32.18 3dwc s PRO 204 CO 0.40 -0.41 0.26 -0.06 0.04 0.00 0.00 177.00 177.23 3dwc s PHE 205 N -1.59 3.54 0.29 0.56 0.40 -0.41 -5.04 117.98 115.73 3dwc s PHE 205 Ca 0.62 -2.30 -0.28 0.00 -0.60 0.00 0.00 56.93 54.36 3dwc s PHE 205 Cb -0.26 -3.30 -0.14 0.00 0.51 0.00 0.00 43.02 39.83 3dwc s PHE 205 CO 0.32 -0.97 1.06 -2.30 0.70 0.00 0.00 175.22 174.03 3dwc n PRO 206 N 4.60 1.44 0.01 0.24 -0.02 -1.26 -4.49 135.00 135.52 3dwc n PRO 206 Ca -0.03 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 61.96 3dwc n PRO 206 Cb 0.41 -1.92 0.32 0.00 -0.02 0.00 0.00 33.50 32.29 3dwc n PRO 206 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dwc h VAL 207 N 2.12 1.18 -0.38 -1.45 2.07 -1.97 -1.14 116.25 116.68 3dwc h VAL 207 Ca -0.41 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.32 3dwc h VAL 207 Cb 1.33 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3dwc h VAL 207 CO 0.62 0.25 -0.06 0.77 0.02 0.00 0.00 177.57 179.16 3dwc h SER 208 N 0.48 0.61 0.44 0.57 4.64 -1.99 0.33 113.55 118.63 3dwc h SER 208 Ca 0.11 -0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 61.06 3dwc h SER 208 Cb 0.29 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3dwc h SER 208 CO 0.01 0.72 -0.92 0.11 -0.87 0.00 0.00 176.83 175.89 3dwc h LYS 209 N 0.59 0.32 -0.42 4.77 1.57 -1.67 -1.37 116.57 120.36 3dwc h LYS 209 Ca 0.11 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 3dwc h LYS 209 Cb 0.47 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3dwc h LYS 209 CO 0.02 1.04 -0.01 1.96 -0.57 0.00 0.00 179.45 181.89 3dwc h GLN 210 N 0.18 0.75 -0.34 3.15 4.20 -0.91 -0.21 115.11 121.93 3dwc h GLN 210 Ca -0.06 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3dwc h GLN 210 Cb 1.55 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 3dwc h GLN 210 CO 0.15 0.84 0.16 1.49 -0.67 0.00 0.00 178.83 180.80 3dwc h GLU 211 N 0.59 0.48 -0.43 1.46 4.81 -0.84 -0.45 114.58 120.21 3dwc h GLU 211 Ca 0.12 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 3dwc h GLU 211 Cb 0.50 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 3dwc h GLU 211 CO 0.02 0.44 0.09 0.00 -0.73 0.00 0.00 179.01 178.83 3dwc h ALA 212 N 1.02 0.47 -0.71 2.92 0.00 -1.07 -1.46 119.26 120.43 3dwc h ALA 212 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3dwc h ALA 212 Cb 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3dwc h ALA 212 CO -0.01 -0.31 0.35 1.25 0.00 0.00 0.00 179.25 180.52 3dwc h LEU 213 N 0.22 0.90 -0.58 0.00 5.85 -0.75 -1.19 115.31 119.75 3dwc h LEU 213 Ca 0.21 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 3dwc h LEU 213 Cb 0.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3dwc h LEU 213 CO -0.27 0.75 -0.36 0.00 -0.34 0.00 0.00 178.44 178.22 3dwc h ARG 215 N 0.61 0.92 -0.67 0.00 3.08 -1.01 -1.23 114.38 116.09 3dwc h ARG 215 Ca 0.06 -0.50 0.12 0.00 0.07 0.00 0.00 59.98 59.73 3dwc h ARG 215 Cb 0.90 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.88 3dwc h ARG 215 CO 0.08 1.15 0.20 0.35 -1.07 0.00 0.00 179.97 180.69 3dwc h PHE 216 N 0.74 0.33 0.00 3.04 3.57 -1.09 -1.11 116.94 122.43 3dwc h PHE 216 Ca 0.05 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3dwc h PHE 216 Cb 1.01 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3dwc h PHE 216 CO 0.06 0.01 -0.48 0.74 -2.23 0.00 0.00 178.31 176.42 3dwc h PHE 217 N 0.34 0.00 -0.72 0.41 0.04 -0.98 -1.69 116.94 114.34 3dwc h PHE 217 Ca 0.36 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.08 3dwc h PHE 217 Cb 0.53 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3dwc h PHE 217 CO -0.21 0.48 0.25 0.52 -0.60 0.00 0.00 178.31 178.75 3dwc h MET 218 N 0.00 1.08 -0.61 1.51 2.86 -0.50 -1.98 114.93 117.29 3dwc h MET 218 Ca -0.00 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3dwc h MET 218 Cb 1.10 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 3dwc h MET 218 CO 0.06 0.90 0.35 -0.44 1.06 0.00 0.00 176.91 178.84 3dwc h ASP 219 N 1.05 0.76 -0.92 1.22 3.32 -0.98 0.14 116.42 121.02 3dwc h ASP 219 Ca 0.24 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.30 3dwc h ASP 219 Cb 0.25 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.53 3dwc h ASP 219 CO -0.01 0.62 0.56 0.58 -1.72 0.00 0.00 179.24 179.27 3dwc h VAL 220 N 0.83 0.94 -0.00 -1.35 2.07 -1.05 0.73 116.25 118.42 3dwc h VAL 220 Ca 0.22 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3dwc h VAL 220 Cb 0.03 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3dwc h VAL 220 CO -0.04 0.17 -0.02 0.79 0.02 0.00 0.00 177.57 178.49 3dwc n TRP 221 N -4.66 0.00 -3.21 1.57 8.01 -0.77 -4.45 117.44 113.93 3dwc n TRP 221 Ca 0.16 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.17 3dwc n TRP 221 Cb 0.30 -0.11 0.05 0.00 -2.01 0.00 0.00 31.31 29.54 3dwc n TRP 221 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3dwc n LYS 222 N -0.95 -5.55 -1.68 -0.99 5.02 0.25 -4.96 118.16 109.29 3dwc n LYS 222 Ca 0.19 0.67 -0.45 0.00 -2.02 0.00 0.00 58.31 56.70 3dwc n LYS 222 Cb 0.20 -5.16 -0.04 0.00 -0.02 0.00 0.00 35.03 30.02 3dwc n LYS 222 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dwc n PHE 223 N -4.40 2.42 -2.68 2.13 7.35 0.35 -4.92 117.46 117.71 3dwc n PHE 223 Ca -0.02 0.13 -0.42 0.00 -0.76 0.00 0.00 57.45 56.38 3dwc n PHE 223 Cb 0.56 -2.61 -0.03 0.00 0.35 0.00 0.00 39.48 37.75 3dwc n PHE 223 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3dwc s ASP 224 N 1.60 6.26 0.21 -2.13 -1.08 -1.26 -4.76 116.67 115.52 3dwc s ASP 224 Ca 0.80 -0.41 0.25 0.00 -0.52 0.00 0.00 52.55 52.67 3dwc s ASP 224 Cb -0.62 -2.51 0.90 0.00 -1.46 0.00 0.00 42.92 39.24 3dwc s ASP 224 CO 0.38 -1.56 1.74 0.49 0.52 0.00 0.00 175.17 176.75 3dwc n PHE 225 N 8.45 0.80 0.96 -5.34 3.01 -1.26 -1.80 117.46 122.27 3dwc n PHE 225 Ca 0.03 0.27 0.12 0.00 1.01 0.00 0.00 57.45 58.87 3dwc n PHE 225 Cb 0.48 -0.93 0.56 0.00 -0.01 0.00 0.00 39.48 39.58 3dwc n PHE 225 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3dwc n ASP 226 N -2.18 0.00 -0.84 4.37 10.43 -1.26 -3.74 116.55 123.32 3dwc n ASP 226 Ca 0.04 0.31 0.05 0.00 2.57 0.00 0.00 54.79 57.77 3dwc n ASP 226 Cb 0.33 -0.43 0.11 0.00 1.84 0.00 0.00 41.12 42.97 3dwc n ASP 226 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dwc n GLY 227 N 0.98 3.11 2.34 0.44 0.00 -0.75 -5.01 105.19 106.32 3dwc n GLY 227 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 46.02 45.15 3dwc n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwc n GLY 228 N -0.46 0.23 3.21 -0.02 0.00 -1.05 -1.66 105.19 105.45 3dwc n GLY 228 Ca 0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 3dwc n GLY 228 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dwc s ARG 229 N -2.00 0.81 -0.12 1.61 0.52 -0.33 -4.67 118.95 114.77 3dwc s ARG 229 Ca 0.19 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3dwc s ARG 229 Cb -0.00 0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.79 3dwc s ARG 229 CO -0.02 -0.26 -0.14 -1.17 0.02 0.00 0.00 175.30 173.74 3dwc s LEU 230 N -2.54 2.68 0.00 2.53 2.96 -1.26 -1.26 118.68 121.80 3dwc s LEU 230 Ca 0.01 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3dwc s LEU 230 Cb 0.02 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 3dwc s LEU 230 CO -0.08 0.17 0.38 0.47 -1.32 0.00 0.00 176.35 175.97 3dwc n ASP 231 N 3.46 -1.01 -4.77 3.68 8.00 -0.43 -5.00 116.55 120.48 3dwc n ASP 231 Ca -0.18 -3.14 -0.36 0.00 0.71 0.00 0.00 54.79 51.82 3dwc n ASP 231 Cb 0.53 2.10 -0.08 0.00 -0.02 0.00 0.00 41.12 43.65 3dwc n ASP 231 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dwc s VAL 232 N -3.16 5.13 0.15 2.53 1.01 -1.26 -2.41 120.40 122.39 3dwc s VAL 232 Ca 0.37 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 3dwc s VAL 232 Cb 0.01 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3dwc s VAL 232 CO 0.26 0.56 0.14 -0.94 0.00 0.00 0.00 175.10 175.11 3dwc s SER 233 N -0.51 0.21 0.58 3.32 1.04 -1.08 -4.59 113.70 112.66 3dwc s SER 233 Ca 0.11 -1.14 0.27 0.00 0.48 0.00 0.00 55.95 55.67 3dwc s SER 233 Cb -0.12 0.35 1.68 0.00 0.10 0.00 0.00 66.02 68.04 3dwc s SER 233 CO 0.02 -0.80 2.21 0.00 0.98 0.00 0.00 173.24 175.65 3dwc h ALA 234 N 2.73 1.68 -3.54 5.32 0.00 -1.88 -3.36 119.26 120.21 3dwc h ALA 234 Ca -0.34 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.19 3dwc h ALA 234 Cb 1.21 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.68 3dwc h ALA 234 CO 0.55 -0.05 -0.76 -1.01 0.00 0.00 0.00 179.25 177.97 3dwc s HIS 235 N -4.73 0.57 0.09 0.00 3.76 -1.26 -4.92 115.29 108.80 3dwc s HIS 235 Ca -0.05 -0.12 -0.31 0.00 -0.15 0.00 0.00 55.06 54.43 3dwc s HIS 235 Cb 0.16 -0.52 -0.09 0.00 1.11 0.00 0.00 32.58 33.23 3dwc s HIS 235 CO 0.58 -0.14 1.79 -2.14 -0.85 0.00 0.00 174.74 173.98 3dwc s PRO 236 N 0.77 4.16 0.18 8.40 0.02 -1.26 -4.77 135.00 142.50 3dwc s PRO 236 Ca -0.09 2.51 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 3dwc s PRO 236 Cb -0.12 -3.69 -0.04 0.00 0.02 0.00 0.00 34.50 30.66 3dwc s PRO 236 CO -0.00 -0.83 0.10 -0.59 -0.33 0.00 0.00 177.00 175.35 3dwc s PHE 237 N 3.01 1.09 -0.23 6.54 -0.12 -1.23 -4.97 117.98 122.08 3dwc s PHE 237 Ca 0.80 -1.32 -0.01 0.00 -0.05 0.00 0.00 56.93 56.35 3dwc s PHE 237 Cb -0.43 -0.56 0.02 0.00 -0.63 0.00 0.00 43.02 41.42 3dwc s PHE 237 CO 0.36 -0.57 -0.10 0.00 -0.05 0.00 0.00 175.22 174.86 3dwc n GLY 239 N 4.66 5.01 7.00 0.00 0.00 0.15 -4.99 105.19 117.01 3dwc n GLY 239 Ca -0.18 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3dwc n GLY 239 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dwc n ASN 240 N 0.00 0.00 -4.52 1.61 5.15 -1.26 -1.71 115.26 114.54 3dwc n ASN 240 Ca 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 3dwc n ASN 240 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 3dwc n ASN 240 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3dwc s SER 241 N -4.00 3.36 0.44 1.20 0.01 -1.04 -4.91 113.70 108.76 3dwc s SER 241 Ca 0.00 -1.24 0.11 0.00 1.31 0.00 0.00 55.95 56.13 3dwc s SER 241 Cb 0.00 -0.28 0.98 0.00 0.21 0.00 0.00 66.02 66.93 3dwc s SER 241 CO 0.00 -0.33 2.04 0.11 0.41 0.00 0.00 173.24 175.47 3dwc h LYS 242 N 2.06 0.23 -0.00 12.44 1.57 -1.92 -1.14 116.57 129.81 3dwc h LYS 242 Ca -0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3dwc h LYS 242 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3dwc h LYS 242 CO 0.71 0.23 -0.07 0.39 -0.57 0.00 0.00 179.45 180.15 3dwc n GLU 243 N -4.43 0.64 -2.73 3.15 4.71 -1.26 -4.35 120.64 116.38 3dwc n GLU 243 Ca -0.00 -0.15 -0.06 0.00 -0.01 0.00 0.00 57.16 56.93 3dwc n GLU 243 Cb 0.14 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.12 3dwc n GLU 243 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3dwc n ASP 244 N -1.05 -2.61 -4.67 1.62 -0.08 -0.49 -4.63 116.55 104.64 3dwc n ASP 244 Ca 0.15 -2.79 -0.40 0.00 -1.51 0.00 0.00 54.79 50.24 3dwc n ASP 244 Cb 0.25 1.54 -0.05 0.00 2.34 0.00 0.00 41.12 45.20 3dwc n ASP 244 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3dwc s VAL 245 N 0.63 4.99 -0.19 5.18 1.01 -0.66 -2.50 120.40 128.86 3dwc s VAL 245 Ca 0.30 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.61 3dwc s VAL 245 Cb 0.18 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3dwc s VAL 245 CO -0.17 0.11 -0.17 -0.13 0.00 0.00 0.00 175.10 174.74 3dwc s ARG 246 N 1.85 2.65 0.24 2.72 0.52 -0.69 -1.18 118.95 125.05 3dwc s ARG 246 Ca 0.32 -0.84 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 3dwc s ARG 246 Cb -0.16 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 3dwc s ARG 246 CO 0.11 -0.28 0.07 0.96 0.02 0.00 0.00 175.30 176.18 3dwc s ILE 247 N 1.32 3.89 0.12 1.52 -4.36 -0.39 -0.68 121.20 122.63 3dwc s ILE 247 Ca 0.03 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 3dwc s ILE 247 Cb -0.14 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.47 3dwc s ILE 247 CO -0.11 -0.30 -0.02 0.42 0.24 0.00 0.00 174.94 175.18 3dwc s THR 248 N -2.11 0.51 0.26 8.37 -4.23 -0.12 -1.31 115.64 117.00 3dwc s THR 248 Ca 0.31 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 3dwc s THR 248 Cb -0.08 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 3dwc s THR 248 CO 0.21 -0.69 0.35 0.28 -0.54 0.00 0.00 174.62 174.24 3dwc s THR 249 N -3.76 0.00 0.06 3.99 -1.32 -1.01 -3.57 115.64 110.03 3dwc s THR 249 Ca 0.17 -1.67 0.07 0.00 -1.21 0.00 0.00 61.69 59.04 3dwc s THR 249 Cb 0.06 -2.41 -0.03 0.00 -1.51 0.00 0.00 72.50 68.62 3dwc s THR 249 CO -0.02 0.00 -0.18 -0.75 -2.21 0.00 0.00 174.62 171.46 3dwc s LYS 250 N -3.83 1.12 0.03 7.08 2.20 -1.26 -2.63 119.74 122.45 3dwc s LYS 250 Ca 0.31 -0.96 0.09 0.00 -0.36 0.00 0.00 55.97 55.04 3dwc s LYS 250 Cb 0.02 -1.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.07 3dwc s LYS 250 CO 0.13 0.30 -0.25 0.71 -0.36 0.00 0.00 175.35 175.88 3dwc s TYR 251 N -0.98 2.35 0.03 4.03 1.51 -1.26 -4.51 117.35 118.52 3dwc s TYR 251 Ca 0.04 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 3dwc s TYR 251 Cb -0.09 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 3dwc s TYR 251 CO 0.02 0.10 -0.14 -0.08 -1.11 0.00 0.00 175.55 174.35 3dwc s THR 252 N -0.77 1.07 -0.17 -0.71 -1.32 -1.26 -5.04 115.64 107.44 3dwc s THR 252 Ca 0.12 -0.94 0.27 0.00 -1.21 0.00 0.00 61.69 59.93 3dwc s THR 252 Cb -0.10 -0.96 0.29 0.00 -1.51 0.00 0.00 72.50 70.22 3dwc s THR 252 CO 0.02 0.02 1.82 -0.33 -2.21 0.00 0.00 174.62 173.94 3dwc h GLU 253 N 5.03 0.00 0.00 7.08 5.08 -1.98 -3.23 114.58 126.56 3dwc h GLU 253 Ca -0.37 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 3dwc h GLU 253 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3dwc h GLU 253 CO 0.44 0.00 -0.50 1.79 -1.00 0.00 0.00 179.01 179.75 3dwc h THR 254 N 0.00 0.96 -2.80 1.13 1.35 -1.96 -1.07 112.91 110.51 3dwc h THR 254 Ca 0.00 -2.03 -0.01 0.00 -0.55 0.00 0.00 66.41 63.82 3dwc h THR 254 Cb 0.25 2.25 -0.13 0.00 -1.73 0.00 0.00 68.15 68.78 3dwc h THR 254 CO 0.00 0.49 0.24 -1.83 -0.25 0.00 0.00 175.52 174.17 3dwc s GLU 255 N -3.22 1.20 -0.00 4.72 4.04 -1.22 -4.19 118.70 120.02 3dwc s GLU 255 Ca 0.02 -0.37 0.02 0.00 0.04 0.00 0.00 54.97 54.68 3dwc s GLU 255 Cb 0.09 0.56 -0.02 0.00 0.02 0.00 0.00 34.13 34.78 3dwc s GLU 255 CO 0.73 -0.51 0.06 1.97 -1.84 0.00 0.00 175.26 175.67 3dwc n PHE 256 N -0.21 0.00 -0.05 4.83 1.16 -1.26 -4.42 117.46 117.51 3dwc n PHE 256 Ca -0.16 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.31 3dwc n PHE 256 Cb 0.64 -0.02 -0.04 0.00 -1.61 0.00 0.00 39.48 38.45 3dwc n PHE 256 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3dwc h VAL 257 N 0.00 1.11 -0.19 1.97 2.07 -1.97 -1.69 116.25 117.55 3dwc h VAL 257 Ca 0.00 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.26 3dwc h VAL 257 Cb 0.06 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3dwc h VAL 257 CO 0.00 0.11 -0.15 0.74 0.02 0.00 0.00 177.57 178.29 3dwc h THR 258 N 0.20 0.58 -0.17 2.57 2.02 -1.98 -0.67 112.91 115.46 3dwc h THR 258 Ca 0.07 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.09 3dwc h THR 258 Cb 0.08 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3dwc h THR 258 CO -0.01 0.00 -0.53 0.28 0.37 0.00 0.00 175.52 175.63 3dwc h SER 259 N -0.16 0.56 0.07 4.18 0.02 -1.78 -0.47 113.55 115.98 3dwc h SER 259 Ca 0.11 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3dwc h SER 259 Cb 0.32 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3dwc h SER 259 CO -0.28 0.99 -0.03 0.25 -1.14 0.00 0.00 176.83 176.61 3dwc h LEU 260 N 0.39 -0.08 -0.90 5.07 6.46 -1.02 0.15 115.31 125.38 3dwc h LEU 260 Ca 0.01 -0.37 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 3dwc h LEU 260 Cb 1.06 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 3dwc h LEU 260 CO 0.10 0.34 0.05 -0.07 -0.62 0.00 0.00 178.44 178.24 3dwc h LEU 261 N -0.51 0.82 -0.22 2.25 3.38 -1.19 -1.35 115.31 118.48 3dwc h LEU 261 Ca -0.01 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3dwc h LEU 261 Cb 0.44 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3dwc h LEU 261 CO 0.01 0.85 -0.01 1.23 0.09 0.00 0.00 178.44 180.61 3dwc h GLY 262 N 0.99 0.20 1.76 0.83 0.00 -1.03 -0.56 103.07 105.25 3dwc h GLY 262 Ca 0.16 0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 3dwc h GLY 262 CO 0.01 -0.05 -0.22 -2.08 0.00 0.00 0.00 176.54 174.20 3dwc h VAL 263 N 0.05 1.23 -0.35 4.60 2.07 -0.59 -1.66 116.25 121.61 3dwc h VAL 263 Ca 0.11 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 3dwc h VAL 263 Cb 0.14 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3dwc h VAL 263 CO -0.19 0.33 -0.03 0.40 0.02 0.00 0.00 177.57 178.10 3dwc h ILE 264 N 0.26 1.27 -0.41 4.57 2.04 -0.89 -0.23 117.51 124.11 3dwc h ILE 264 Ca 0.04 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.93 3dwc h ILE 264 Cb 0.55 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 3dwc h ILE 264 CO 0.04 0.34 0.08 -0.74 0.00 0.00 0.00 178.15 177.87 3dwc h HIS 265 N 0.44 0.14 -0.00 1.37 2.76 -0.81 -0.29 115.15 118.75 3dwc h HIS 265 Ca 0.09 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.13 3dwc h HIS 265 Cb 0.51 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3dwc h HIS 265 CO 0.04 0.02 -0.76 0.93 -1.30 0.00 0.00 177.93 176.86 3dwc h GLU 266 N 0.22 0.03 -0.65 5.26 4.39 -1.15 -2.62 114.58 120.05 3dwc h GLU 266 Ca 0.20 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3dwc h GLU 266 Cb 0.24 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 3dwc h GLU 266 CO -0.26 0.77 0.17 1.15 -1.16 0.00 0.00 179.01 179.69 3dwc h THR 267 N 0.02 1.25 -0.37 1.13 2.02 -0.76 0.12 112.91 116.33 3dwc h THR 267 Ca -0.01 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.30 3dwc h THR 267 Cb 1.34 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 3dwc h THR 267 CO 0.10 0.35 0.10 1.23 0.37 0.00 0.00 175.52 177.67 3dwc h GLY 268 N 0.96 0.45 0.67 2.16 0.00 -0.72 0.13 103.07 106.72 3dwc h GLY 268 Ca 0.21 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.53 3dwc h GLY 268 CO -0.00 0.00 0.15 0.45 0.00 0.00 0.00 176.54 177.14 3dwc h HIS 269 N 0.24 0.26 -1.00 5.60 -0.00 -1.24 -3.03 115.15 115.98 3dwc h HIS 269 Ca 0.17 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 3dwc h HIS 269 Cb 0.17 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.47 3dwc h HIS 269 CO -0.16 0.11 0.65 0.00 -0.00 0.00 0.00 177.93 178.53 3dwc h ALA 270 N 1.25 1.26 -0.49 2.45 0.00 0.31 -2.49 119.26 121.55 3dwc h ALA 270 Ca 0.18 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3dwc h ALA 270 Cb 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3dwc h ALA 270 CO -0.18 0.66 0.32 0.87 0.00 0.00 0.00 179.25 180.93 3dwc h LYS 271 N 1.35 0.55 0.02 0.00 1.79 -0.66 0.10 116.57 119.73 3dwc h LYS 271 Ca 0.36 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 3dwc h LYS 271 Cb -0.14 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.38 3dwc h LYS 271 CO -0.08 0.36 -0.01 -0.92 -1.08 0.00 0.00 179.45 177.73 3dwc h TYR 272 N 0.56 -0.02 -0.87 -1.35 3.20 -1.47 -2.65 116.97 114.37 3dwc h TYR 272 Ca 0.19 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3dwc h TYR 272 Cb 0.08 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3dwc h TYR 272 CO -0.00 0.40 0.57 0.93 -1.64 0.00 0.00 178.16 178.42 3dwc h GLU 273 N -0.45 1.15 0.00 1.82 4.39 -1.09 0.06 114.58 120.46 3dwc h GLU 273 Ca -0.00 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3dwc h GLU 273 Cb 0.43 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3dwc h GLU 273 CO 0.00 0.77 -0.02 1.96 -1.16 0.00 0.00 179.01 180.57 3dwc h GLN 274 N 1.19 0.00 0.00 2.33 4.20 -0.83 -3.25 115.11 118.74 3dwc h GLN 274 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3dwc h GLN 274 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3dwc h GLN 274 CO -0.07 0.02 -0.02 0.09 -0.67 0.00 0.00 178.83 178.18 3dwc n ASN 275 N -3.12 1.68 -4.68 1.46 3.02 -1.00 -5.01 115.26 107.61 3dwc n ASN 275 Ca 0.00 -2.02 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 3dwc n ASN 275 Cb 0.29 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3dwc n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dwc n GLY 277 N 4.17 2.20 3.77 0.00 0.00 -0.65 -4.80 105.19 109.87 3dwc n GLY 277 Ca 0.17 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3dwc n GLY 277 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dwc s PRO 278 N -0.86 4.48 0.51 1.61 0.02 -1.19 -2.98 135.00 136.59 3dwc s PRO 278 Ca 0.00 1.63 -0.22 0.00 0.02 0.00 0.00 61.00 62.43 3dwc s PRO 278 Cb 0.00 -2.93 -0.07 0.00 0.02 0.00 0.00 34.50 31.52 3dwc s PRO 278 CO 0.00 0.12 1.06 1.17 -0.33 0.00 0.00 177.00 179.02 3dwc n LYS 279 N 0.70 1.28 -0.13 5.54 4.81 -1.26 -2.28 118.16 126.82 3dwc n LYS 279 Ca 0.01 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3dwc n LYS 279 Cb 0.47 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3dwc n LYS 279 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dwc n GLY 280 N 1.13 1.97 0.51 3.14 0.00 -1.26 -4.86 105.19 105.83 3dwc n GLY 280 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 3dwc n GLY 280 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dwc n PHE 281 N -2.00 0.00 -0.02 1.61 3.01 -0.97 -4.91 117.46 114.18 3dwc n PHE 281 Ca 0.00 -1.39 0.05 0.00 1.01 0.00 0.00 57.45 57.12 3dwc n PHE 281 Cb 0.00 -0.23 0.43 0.00 -0.01 0.00 0.00 39.48 39.67 3dwc n PHE 281 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3dwc h GLU 282 N 0.81 0.54 -0.49 -1.08 3.07 -1.89 -1.56 114.58 113.98 3dwc h GLU 282 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3dwc h GLU 282 Cb 1.01 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3dwc h GLU 282 CO 0.00 0.36 0.00 0.25 -1.40 0.00 0.00 179.01 178.22 3dwc n THR 283 N -4.47 0.67 -4.27 1.13 -2.24 -1.26 -4.87 114.28 98.97 3dwc n THR 283 Ca 0.04 -0.65 -0.26 0.00 -2.27 0.00 0.00 64.05 60.92 3dwc n THR 283 Cb 0.11 0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 3dwc n THR 283 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3dwc s GLN 284 N -1.39 2.18 0.60 -0.78 -1.52 -0.59 -4.19 119.66 113.97 3dwc s GLN 284 Ca 0.32 -1.26 0.36 0.00 -1.95 0.00 0.00 55.36 52.82 3dwc s GLN 284 Cb 0.17 -2.20 1.93 0.00 -0.22 0.00 0.00 33.01 32.69 3dwc s GLN 284 CO 0.21 0.43 2.23 -1.00 -0.25 0.00 0.00 175.29 176.91 3dwc h PRO 285 N 2.67 0.00 0.00 2.91 0.13 -1.89 -1.74 132.00 134.08 3dwc h PRO 285 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dwc h PRO 285 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dwc h PRO 285 CO 0.56 0.03 -0.02 -0.24 -0.23 0.00 0.00 178.00 178.10 3dwc h VAL 286 N 0.00 0.07 -2.79 1.56 3.04 -1.87 -3.31 116.25 112.95 3dwc h VAL 286 Ca -0.00 -0.40 -0.75 0.00 -1.01 0.00 0.00 66.70 64.54 3dwc h VAL 286 Cb 0.14 1.37 -0.32 0.00 -2.01 0.00 0.00 31.29 30.48 3dwc h VAL 286 CO 0.00 0.02 0.36 0.00 -1.01 0.00 0.00 177.57 176.94 3dwc s MET 288 N -2.56 1.07 0.54 0.00 0.23 -1.25 -4.75 119.30 112.59 3dwc s MET 288 Ca 0.33 -0.94 -0.22 0.00 -1.03 0.00 0.00 55.69 53.84 3dwc s MET 288 Cb 0.06 0.41 -0.05 0.00 -1.53 0.00 0.00 34.83 33.72 3dwc s MET 288 CO 0.05 -0.40 1.32 0.00 -2.03 0.00 0.00 175.02 173.96 3dwc n ALA 289 N -0.19 1.43 -0.11 3.16 0.00 -1.26 -1.96 120.51 121.59 3dwc n ALA 289 Ca -0.12 0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3dwc n ALA 289 Cb 0.63 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 3dwc n ALA 289 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dwc h ARG 290 N 1.39 0.56 -2.65 0.00 9.65 -1.97 -3.44 114.38 117.91 3dwc h ARG 290 Ca -0.50 -0.18 0.09 0.00 -1.10 0.00 0.00 59.98 58.28 3dwc h ARG 290 Cb 1.31 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 29.74 3dwc h ARG 290 CO 0.57 0.70 0.36 -1.54 2.80 0.00 0.00 179.97 182.85 3dwc s SER 291 N -6.07 -0.33 0.30 -3.80 1.04 -1.26 -4.67 113.70 98.91 3dwc s SER 291 Ca -0.13 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 3dwc s SER 291 Cb 0.08 0.55 0.47 0.00 0.10 0.00 0.00 66.02 67.23 3dwc s SER 291 CO 0.77 -0.97 1.92 -0.07 0.98 0.00 0.00 173.24 175.87 3dwc h LEU 292 N 2.00 0.84 -0.84 2.42 3.38 -1.67 -0.10 115.31 121.33 3dwc h LEU 292 Ca -0.25 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3dwc h LEU 292 Cb 1.26 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 3dwc h LEU 292 CO 0.29 0.68 0.51 1.23 0.09 0.00 0.00 178.44 181.24 3dwc h GLY 293 N 1.00 1.22 1.41 0.83 0.00 -1.78 0.20 103.07 105.94 3dwc h GLY 293 Ca 0.24 -0.51 -0.23 0.00 0.00 0.00 0.00 47.33 46.83 3dwc h GLY 293 CO -0.04 0.49 -0.92 -2.08 0.00 0.00 0.00 176.54 173.99 3dwc h VAL 294 N 1.16 1.35 0.37 4.60 2.07 -1.82 -0.53 116.25 123.44 3dwc h VAL 294 Ca 0.30 -2.28 -0.02 0.00 0.82 0.00 0.00 66.70 65.52 3dwc h VAL 294 Cb -0.05 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3dwc h VAL 294 CO -0.06 0.70 -0.18 -0.74 0.02 0.00 0.00 177.57 177.31 3dwc h HIS 295 N 0.33 -0.46 -0.23 1.57 6.17 -0.90 -2.13 115.15 119.50 3dwc h HIS 295 Ca -0.08 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.04 3dwc h HIS 295 Cb 1.55 0.15 -0.01 0.00 2.52 0.00 0.00 27.41 31.62 3dwc h HIS 295 CO 0.07 -0.18 0.16 1.49 0.71 0.00 0.00 177.93 180.18 3dwc h GLU 296 N -0.67 0.06 -0.83 5.26 4.57 -0.67 0.34 114.58 122.64 3dwc h GLU 296 Ca -0.05 -0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.25 3dwc h GLU 296 Cb 0.48 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 3dwc h GLU 296 CO 0.08 0.04 0.54 0.78 -1.18 0.00 0.00 179.01 179.27 3dwc h GLY 297 N 0.06 1.05 1.32 1.92 0.00 -0.56 -1.43 103.07 105.43 3dwc h GLY 297 Ca 0.11 -0.27 -0.29 0.00 0.00 0.00 0.00 47.33 46.87 3dwc h GLY 297 CO -0.01 0.11 -1.22 1.46 0.00 0.00 0.00 176.54 176.88 3dwc h GLN 298 N 0.65 0.57 -0.27 4.80 1.08 -0.31 -0.76 115.11 120.85 3dwc h GLN 298 Ca 0.40 -0.76 -0.05 0.00 -1.45 0.00 0.00 58.65 56.80 3dwc h GLN 298 Cb 0.65 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 3dwc h GLN 298 CO -0.17 1.34 -0.02 0.66 -0.95 0.00 0.00 178.83 179.69 3dwc h SER 299 N 0.25 0.49 0.58 1.46 4.64 -1.29 -2.74 113.55 116.94 3dwc h SER 299 Ca -0.17 -0.33 -0.10 0.00 -0.47 0.00 0.00 61.79 60.72 3dwc h SER 299 Cb 1.89 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.84 3dwc h SER 299 CO 0.23 0.70 -0.46 -0.07 -0.87 0.00 0.00 176.83 176.36 3dwc h LEU 300 N 0.27 0.00 -0.64 5.97 3.38 -1.35 0.21 115.31 123.14 3dwc h LEU 300 Ca 0.08 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3dwc h LEU 300 Cb 0.46 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3dwc h LEU 300 CO 0.02 0.46 0.32 0.15 0.09 0.00 0.00 178.44 179.47 3dwc h PHE 301 N 0.00 0.57 0.05 1.13 3.57 -1.01 0.27 116.94 121.53 3dwc h PHE 301 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dwc h PHE 301 Cb 0.87 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3dwc h PHE 301 CO 0.00 0.23 -0.03 0.00 -2.23 0.00 0.00 178.31 176.28 3dwc h ALA 302 N 1.38 -0.07 -0.08 2.41 0.00 -1.08 -1.39 119.26 120.41 3dwc h ALA 302 Ca 0.30 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3dwc h ALA 302 Cb 0.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dwc h ALA 302 CO -0.23 -0.22 -0.25 1.49 0.00 0.00 0.00 179.25 180.04 3dwc h GLU 303 N -0.72 0.31 0.00 0.00 4.81 -0.60 0.19 114.58 118.58 3dwc h GLU 303 Ca -0.01 -0.23 -0.44 0.00 -0.13 0.00 0.00 59.36 58.56 3dwc h GLU 303 Cb 0.60 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 3dwc h GLU 303 CO 0.01 0.85 -2.47 -1.33 -0.73 0.00 0.00 179.01 175.34 3dwc n MET 304 N -4.49 0.61 -0.06 1.92 2.81 0.88 -1.58 117.12 117.21 3dwc n MET 304 Ca -0.08 0.25 -0.15 0.00 -1.81 0.00 0.00 57.70 55.91 3dwc n MET 304 Cb 0.45 -1.51 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 3dwc n MET 304 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3dwc h GLN 305 N -0.74 0.70 0.00 0.03 1.08 -1.03 -3.26 115.11 111.89 3dwc h GLN 305 Ca -0.66 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 56.05 3dwc h GLN 305 Cb 1.68 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 29.18 3dwc h GLN 305 CO -0.33 1.10 -0.65 -0.89 -0.95 0.00 0.00 178.83 177.11 3dwc n ILE 306 N -4.15 1.44 0.26 2.54 5.41 -0.55 -4.41 119.36 119.90 3dwc n ILE 306 Ca -0.06 0.18 0.09 0.00 1.00 0.00 0.00 62.75 63.97 3dwc n ILE 306 Cb 0.59 -2.36 0.68 0.00 -0.71 0.00 0.00 39.64 37.84 3dwc n ILE 306 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dwc h GLY 307 N -1.00 0.00 -2.17 7.39 0.00 -0.15 -1.89 103.07 105.25 3dwc h GLY 307 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3dwc h GLY 307 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.06 3dwc n ARG 308 N -4.31 3.48 -2.54 4.80 1.74 -0.62 -4.82 116.66 114.40 3dwc n ARG 308 Ca -0.03 -2.88 -0.30 0.00 -0.77 0.00 0.00 57.85 53.88 3dwc n ARG 308 Cb 0.12 -1.92 -0.01 0.00 -1.02 0.00 0.00 32.46 29.63 3dwc n ARG 308 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dwc s SER 309 N -1.51 6.40 0.19 0.55 1.04 -0.71 -4.80 113.70 114.86 3dwc s SER 309 Ca 0.45 1.18 -0.10 0.00 0.48 0.00 0.00 55.95 57.96 3dwc s SER 309 Cb 0.35 -2.35 0.12 0.00 0.10 0.00 0.00 66.02 64.23 3dwc s SER 309 CO 0.12 -0.57 1.79 1.23 0.98 0.00 0.00 173.24 176.79 3dwc h GLY 310 N 0.59 1.07 0.46 7.32 0.00 -1.94 -2.74 103.07 107.83 3dwc h GLY 310 Ca -0.46 -0.51 0.08 0.00 0.00 0.00 0.00 47.33 46.44 3dwc h GLY 310 CO 0.62 0.49 0.24 0.00 0.00 0.00 0.00 176.54 177.89 3dwc h ALA 311 N 1.17 0.76 -0.20 3.60 0.00 -1.92 -1.77 119.26 120.90 3dwc h ALA 311 Ca 0.24 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3dwc h ALA 311 Cb 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dwc h ALA 311 CO -0.03 -0.17 -0.00 0.35 0.00 0.00 0.00 179.25 179.40 3dwc h PHE 312 N 0.43 0.28 -0.09 0.00 3.57 -1.72 -2.64 116.94 116.78 3dwc h PHE 312 Ca 0.29 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 3dwc h PHE 312 Cb 0.33 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3dwc h PHE 312 CO -0.15 0.30 -0.24 0.52 -2.23 0.00 0.00 178.31 176.51 3dwc h MET 313 N 0.28 0.15 -0.88 1.11 2.86 -1.06 -0.07 114.93 117.33 3dwc h MET 313 Ca 0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3dwc h MET 313 Cb 0.20 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3dwc h MET 313 CO 0.00 0.39 0.51 0.93 1.06 0.00 0.00 176.91 179.80 3dwc h GLU 314 N 0.14 1.20 -0.13 1.72 5.08 -1.28 -0.99 114.58 120.33 3dwc h GLU 314 Ca 0.02 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 3dwc h GLU 314 Cb 0.51 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dwc h GLU 314 CO 0.04 0.86 -0.37 0.35 -1.00 0.00 0.00 179.01 178.88 3dwc h PHE 315 N 1.22 0.62 -0.36 4.33 3.57 -1.43 -3.37 116.94 121.52 3dwc h PHE 315 Ca 0.31 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3dwc h PHE 315 Cb -0.02 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3dwc h PHE 315 CO 0.01 0.99 -0.02 1.25 -2.23 0.00 0.00 178.31 178.31 3dwc h LEU 316 N 0.08 0.64 -0.22 0.59 5.85 -0.83 -3.32 115.31 118.09 3dwc h LEU 316 Ca -0.01 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.45 3dwc h LEU 316 Cb 0.99 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.78 3dwc h LEU 316 CO 0.08 0.80 -0.22 0.00 -0.34 0.00 0.00 178.44 178.77 3dwc h ALA 317 N 0.86 -0.10 -0.11 1.25 0.00 -1.34 -0.72 119.26 119.10 3dwc h ALA 317 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dwc h ALA 317 Cb 0.49 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3dwc h ALA 317 CO 0.02 -0.65 -0.05 -1.35 0.00 0.00 0.00 179.25 177.23 3dwc h PRO 318 N -0.23 0.15 -0.23 0.00 0.11 -1.77 -1.74 132.00 128.29 3dwc h PRO 318 Ca 0.13 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.07 3dwc h PRO 318 Cb 0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3dwc h PRO 318 CO -0.36 0.21 -0.45 0.00 -0.21 0.00 0.00 178.00 177.19 3dwc h ARG 319 N 0.15 0.58 -0.54 1.05 2.47 -1.40 -1.24 114.38 115.46 3dwc h ARG 319 Ca 0.04 -0.32 0.04 0.00 -1.26 0.00 0.00 59.98 58.47 3dwc h ARG 319 Cb 0.19 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 3dwc h ARG 319 CO 0.01 0.92 0.29 -0.07 0.56 0.00 0.00 179.97 181.68 3dwc h LEU 320 N 0.47 0.44 -0.07 3.04 3.38 -0.33 0.14 115.31 122.39 3dwc h LEU 320 Ca 0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3dwc h LEU 320 Cb 0.98 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3dwc h LEU 320 CO 0.09 0.31 -0.03 0.58 0.09 0.00 0.00 178.44 179.48 3dwc h VAL 321 N 0.57 0.90 -0.38 1.22 2.07 -1.25 -0.18 116.25 119.21 3dwc h VAL 321 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3dwc h VAL 321 Cb 0.10 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3dwc h VAL 321 CO -0.14 0.00 0.18 -0.08 0.02 0.00 0.00 177.57 177.55 3dwc h GLU 322 N -0.02 0.55 0.06 1.57 4.81 -0.77 0.22 114.58 120.99 3dwc h GLU 322 Ca 0.04 -0.08 -0.24 0.00 -0.13 0.00 0.00 59.36 58.94 3dwc h GLU 322 Cb 0.07 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3dwc h GLU 322 CO -0.08 0.49 -1.14 1.88 -0.73 0.00 0.00 179.01 179.43 3dwc h TYR 323 N 0.47 0.22 0.00 0.92 0.05 -0.66 -3.39 116.97 114.58 3dwc h TYR 323 Ca 0.13 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3dwc h TYR 323 Cb 0.12 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3dwc h TYR 323 CO -0.01 1.13 -1.23 1.19 -1.05 0.00 0.00 178.16 178.18 3dwc n PHE 324 N -3.42 0.00 0.00 4.88 3.72 -0.08 -4.93 117.46 117.62 3dwc n PHE 324 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3dwc n PHE 324 Cb 0.98 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 3dwc n PHE 324 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dwc n GLY 325 N 2.06 1.96 3.77 1.37 0.00 0.77 -5.02 105.19 110.10 3dwc n GLY 325 Ca -0.01 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 3dwc n GLY 325 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dwc s ASP 326 N -0.17 6.11 0.15 1.61 3.68 -1.25 -4.52 116.67 122.29 3dwc s ASP 326 Ca 0.00 2.28 -0.23 0.00 2.13 0.00 0.00 52.55 56.73 3dwc s ASP 326 Cb 0.00 -2.60 0.07 0.00 -1.45 0.00 0.00 42.92 38.94 3dwc s ASP 326 CO 0.00 -0.95 0.61 0.00 0.13 0.00 0.00 175.17 174.96 3dwc s GLN 327 N -2.78 1.26 0.52 4.34 -2.07 -1.26 -5.06 119.66 114.60 3dwc s GLN 327 Ca 0.65 -0.46 0.25 0.00 -1.82 0.00 0.00 55.36 53.98 3dwc s GLN 327 Cb -0.28 0.58 1.36 0.00 -1.09 0.00 0.00 33.01 33.59 3dwc s GLN 327 CO 0.33 -0.55 1.96 -1.35 -1.32 0.00 0.00 175.29 174.37 3dwc h PRO 328 N 2.00 0.06 0.00 9.60 0.11 -1.98 -1.35 132.00 140.44 3dwc h PRO 328 Ca -0.34 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 3dwc h PRO 328 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dwc h PRO 328 CO 0.38 0.04 -0.11 0.00 -0.21 0.00 0.00 178.00 178.10 3dwc h ALA 329 N 1.69 1.24 -0.49 -0.75 0.00 -1.89 -3.36 119.26 115.69 3dwc h ALA 329 Ca 0.31 -0.10 -0.73 0.00 0.00 0.00 0.00 54.91 54.39 3dwc h ALA 329 Cb 1.13 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3dwc h ALA 329 CO -0.02 0.13 2.74 1.19 0.00 0.00 0.00 179.25 183.29 3dwc n PHE 330 N -3.56 2.73 -4.39 0.00 3.72 -0.51 -4.10 117.46 111.35 3dwc n PHE 330 Ca -0.02 -2.89 -0.22 0.00 -0.05 0.00 0.00 57.45 54.27 3dwc n PHE 330 Cb 0.24 -2.09 -0.11 0.00 -0.94 0.00 0.00 39.48 36.58 3dwc n PHE 330 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3dwc s THR 331 N 0.42 2.06 0.13 4.37 -4.23 -1.26 -4.79 115.64 112.35 3dwc s THR 331 Ca 0.54 -2.14 -0.28 0.00 -1.18 0.00 0.00 61.69 58.63 3dwc s THR 331 Cb 0.16 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 3dwc s THR 331 CO -0.06 -0.38 1.60 -1.28 -0.54 0.00 0.00 174.62 173.96 3dwc h SER 332 N 2.81 -1.13 -0.66 3.99 0.87 -1.89 -0.73 113.55 116.80 3dwc h SER 332 Ca -0.41 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3dwc h SER 332 Cb 1.22 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 63.61 3dwc h SER 332 CO 0.56 -0.41 0.41 -1.28 -0.53 0.00 0.00 176.83 175.57 3dwc h SER 333 N -0.49 0.79 -0.30 6.23 0.87 -1.95 -2.31 113.55 116.39 3dwc h SER 333 Ca 0.07 -0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 3dwc h SER 333 Cb 0.60 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3dwc h SER 333 CO -0.33 0.61 -0.50 -1.13 -0.53 0.00 0.00 176.83 174.96 3dwc h ASN 334 N 0.90 0.97 0.45 6.23 -1.24 -1.81 -3.07 115.58 118.01 3dwc h ASN 334 Ca 0.24 -0.49 -0.11 0.00 0.71 0.00 0.00 56.30 56.65 3dwc h ASN 334 Cb -0.04 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 3dwc h ASN 334 CO -0.05 1.29 -0.49 0.24 -1.29 0.00 0.00 177.43 177.13 3dwc h MET 335 N 0.69 0.04 -0.57 6.67 2.86 -1.02 -1.09 114.93 122.51 3dwc h MET 335 Ca 0.03 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3dwc h MET 335 Cb 1.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 3dwc h MET 335 CO 0.11 0.53 0.26 -0.22 1.06 0.00 0.00 176.91 178.65 3dwc h LYS 336 N 0.04 0.47 -0.60 1.72 3.64 -1.43 0.57 116.57 120.98 3dwc h LYS 336 Ca -0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3dwc h LYS 336 Cb 0.88 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3dwc h LYS 336 CO 0.07 0.31 -0.02 0.00 -2.27 0.00 0.00 179.45 177.53 3dwc h ARG 337 N 0.48 1.07 -0.29 1.90 3.08 -1.30 0.70 114.38 120.02 3dwc h ARG 337 Ca 0.27 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3dwc h ARG 337 Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3dwc h ARG 337 CO -0.23 1.05 0.10 0.28 -1.07 0.00 0.00 179.97 180.11 3dwc h VAL 338 N 0.97 1.19 0.00 2.04 2.07 -1.01 -2.93 116.25 118.59 3dwc h VAL 338 Ca 0.17 -0.62 -0.21 0.00 0.82 0.00 0.00 66.70 66.86 3dwc h VAL 338 Cb 0.59 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3dwc h VAL 338 CO 0.03 0.21 -0.99 0.40 0.02 0.00 0.00 177.57 177.24 3dwc h ILE 339 N 0.32 1.65 -0.77 4.57 1.08 -0.64 -3.17 117.51 120.54 3dwc h ILE 339 Ca 0.10 -3.34 -0.32 0.00 -0.39 0.00 0.00 64.86 60.91 3dwc h ILE 339 Cb 0.23 2.81 -0.19 0.00 -3.07 0.00 0.00 36.82 36.60 3dwc h ILE 339 CO -0.00 0.94 0.40 0.00 -0.69 0.00 0.00 178.15 178.79 3dwc n GLN 340 N -3.33 2.86 -2.21 2.37 6.02 0.22 -4.94 117.38 118.36 3dwc n GLN 340 Ca -0.00 -2.71 -0.41 0.00 -0.01 0.00 0.00 57.00 53.86 3dwc n GLN 340 Cb 0.93 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 3dwc n GLN 340 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3dwc s ARG 341 N -2.82 4.39 -0.31 -1.09 0.52 -1.10 -4.96 118.95 113.58 3dwc s ARG 341 Ca 0.50 2.07 -0.04 0.00 -0.52 0.00 0.00 55.73 57.74 3dwc s ARG 341 Cb 0.41 -3.17 0.04 0.00 0.52 0.00 0.00 34.95 32.75 3dwc s ARG 341 CO 0.11 -0.22 0.04 0.08 0.02 0.00 0.00 175.30 175.33 3dwc s VAL 342 N -0.15 3.35 -0.25 3.52 1.01 -1.26 -4.79 120.40 121.83 3dwc s VAL 342 Ca 0.55 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3dwc s VAL 342 Cb -0.37 -2.89 0.12 0.00 0.00 0.00 0.00 36.38 33.24 3dwc s VAL 342 CO 0.41 -0.10 0.26 -0.55 0.00 0.00 0.00 175.10 175.11 3dwc s SER 343 N 1.33 1.64 0.65 3.32 0.15 -1.26 -4.95 113.70 114.58 3dwc s SER 343 Ca -0.03 -0.53 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 3dwc s SER 343 Cb -0.19 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 3dwc s SER 343 CO 0.00 -0.36 1.22 -2.84 1.20 0.00 0.00 173.24 172.46 3dwc s PRO 344 N 2.34 2.64 0.28 5.44 0.02 -1.26 -4.77 135.00 139.69 3dwc s PRO 344 Ca 0.09 1.82 -0.05 0.00 0.02 0.00 0.00 61.00 62.88 3dwc s PRO 344 Cb -0.15 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.51 3dwc s PRO 344 CO -0.24 -1.46 0.47 0.41 -0.33 0.00 0.00 177.00 175.85 3dwc n GLY 345 N 0.48 1.88 0.12 0.52 0.00 -1.26 -5.08 105.19 101.86 3dwc n GLY 345 Ca 0.14 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.78 3dwc n GLY 345 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwc h LEU 346 N 0.00 0.00 -8.49 0.99 3.38 -1.96 -3.45 115.31 105.78 3dwc h LEU 346 Ca -0.23 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.06 3dwc h LEU 346 Cb 0.93 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.44 3dwc h LEU 346 CO 0.30 0.40 -0.58 -0.63 0.09 0.00 0.00 178.44 178.03 3dwc s ILE 347 N -3.04 4.37 0.22 1.22 -1.09 -1.26 -4.78 121.20 116.84 3dwc s ILE 347 Ca 0.00 -0.54 -0.09 0.00 -2.23 0.00 0.00 60.65 57.79 3dwc s ILE 347 Cb 0.08 -3.25 0.19 0.00 -1.58 0.00 0.00 42.46 37.90 3dwc s ILE 347 CO 0.78 0.05 1.68 -0.09 -1.23 0.00 0.00 174.94 176.14 3dwc h ARG 348 N 8.31 0.19 -0.33 2.79 2.43 -1.94 -1.76 114.38 124.08 3dwc h ARG 348 Ca -0.31 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3dwc h ARG 348 Cb 1.14 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3dwc h ARG 348 CO 0.61 0.13 0.23 -0.84 -1.51 0.00 0.00 179.97 178.59 3dwc h ILE 349 N 0.20 0.92 -0.55 1.20 3.07 -2.00 -1.16 117.51 119.20 3dwc h ILE 349 Ca 0.33 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.69 3dwc h ILE 349 Cb 0.53 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 3dwc h ILE 349 CO -0.47 0.03 0.00 0.47 -1.05 0.00 0.00 178.15 177.13 3dwc n ASP 350 N -4.47 3.15 -4.78 2.16 8.00 -0.67 -5.00 116.55 114.94 3dwc n ASP 350 Ca 0.04 -2.07 -0.37 0.00 0.71 0.00 0.00 54.79 53.10 3dwc n ASP 350 Cb 0.29 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 3dwc n ASP 350 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwc s ALA 351 N -1.37 3.10 1.10 2.24 0.00 -0.44 -5.02 121.76 121.37 3dwc s ALA 351 Ca 0.38 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 3dwc s ALA 351 Cb 0.21 -3.27 0.25 0.00 0.00 0.00 0.00 23.12 20.30 3dwc s ALA 351 CO 0.24 -0.21 1.21 0.16 0.00 0.00 0.00 175.76 177.16 3dwc s ASP 352 N -1.54 1.88 0.24 0.00 -4.77 -1.26 -4.71 116.67 106.51 3dwc s ASP 352 Ca 0.57 0.46 -0.04 0.00 -3.30 0.00 0.00 52.55 50.24 3dwc s ASP 352 Cb -0.22 -0.61 0.26 0.00 -1.09 0.00 0.00 42.92 41.26 3dwc s ASP 352 CO 0.28 -3.52 1.76 -0.08 0.70 0.00 0.00 175.17 174.31 3dwc h GLU 353 N -2.17 0.95 0.06 2.11 4.81 -1.92 0.45 114.58 118.87 3dwc h GLU 353 Ca -0.45 -0.23 -0.28 0.00 -0.13 0.00 0.00 59.36 58.27 3dwc h GLU 353 Cb 1.27 -0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.55 3dwc h GLU 353 CO 0.36 0.87 -1.14 1.25 -0.73 0.00 0.00 179.01 179.61 3dwc h LEU 354 N 0.90 0.91 0.03 1.64 5.85 -1.93 -3.36 115.31 119.35 3dwc h LEU 354 Ca 0.19 -0.78 -0.24 0.00 0.84 0.00 0.00 57.88 57.89 3dwc h LEU 354 Cb 0.38 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3dwc h LEU 354 CO 0.01 1.58 -1.15 0.00 -0.34 0.00 0.00 178.44 178.53 3dwc h TYR 356 N 0.02 -0.38 0.00 0.00 3.20 -1.05 -0.04 116.97 118.72 3dwc h TYR 356 Ca -0.08 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3dwc h TYR 356 Cb 1.85 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 40.36 3dwc h TYR 356 CO 0.02 -0.25 -0.01 -1.00 -1.64 0.00 0.00 178.16 175.27 3dwc h PRO 357 N -0.06 0.00 -0.03 1.82 0.13 -1.76 -1.59 132.00 130.51 3dwc h PRO 357 Ca 0.22 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.21 3dwc h PRO 357 Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 3dwc h PRO 357 CO -0.50 0.01 -0.65 -0.07 -0.23 0.00 0.00 178.00 176.56 3dwc h LEU 358 N 0.00 0.13 -0.51 1.56 3.38 -1.24 -0.29 115.31 118.34 3dwc h LEU 358 Ca -0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3dwc h LEU 358 Cb 0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dwc h LEU 358 CO 0.00 0.74 0.08 0.45 0.09 0.00 0.00 178.44 179.80 3dwc h HIS 359 N 0.08 0.91 -0.47 1.13 3.86 -1.13 -2.58 115.15 116.95 3dwc h HIS 359 Ca -0.01 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3dwc h HIS 359 Cb 1.15 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 3dwc h HIS 359 CO 0.01 0.83 0.15 0.28 0.86 0.00 0.00 177.93 180.05 3dwc h VAL 360 N 0.74 1.23 -0.54 2.45 2.07 -1.28 -2.96 116.25 117.96 3dwc h VAL 360 Ca 0.16 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 3dwc h VAL 360 Cb 0.41 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3dwc h VAL 360 CO 0.01 0.27 0.34 -0.03 0.02 0.00 0.00 177.57 178.18 3dwc h MET 361 N 0.63 0.72 -0.60 1.57 -1.53 -0.89 -0.44 114.93 114.39 3dwc h MET 361 Ca 0.15 -0.06 -0.05 0.00 -3.44 0.00 0.00 59.70 56.30 3dwc h MET 361 Cb 0.27 -0.16 -0.03 0.00 -0.55 0.00 0.00 31.60 31.14 3dwc h MET 361 CO -0.00 0.51 0.16 1.37 0.14 0.00 0.00 176.91 179.08 3dwc h LEU 362 N 0.72 0.86 0.14 3.39 8.10 -1.43 -1.80 115.31 125.29 3dwc h LEU 362 Ca 0.19 -0.16 -0.01 0.00 0.11 0.00 0.00 57.88 58.02 3dwc h LEU 362 Cb -0.04 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 39.96 3dwc h LEU 362 CO -0.04 0.83 -0.07 0.03 -4.11 0.00 0.00 178.44 175.08 3dwc h ARG 363 N 0.89 -0.18 -0.59 0.17 3.08 -1.27 -1.12 114.38 115.35 3dwc h ARG 363 Ca 0.19 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.38 3dwc h ARG 363 Cb 0.30 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.28 3dwc h ARG 363 CO -0.00 0.00 -0.08 -0.92 -1.07 0.00 0.00 179.97 177.90 3dwc h TYR 364 N -0.33 -0.20 -0.68 3.04 5.03 -0.98 0.15 116.97 123.00 3dwc h TYR 364 Ca -0.02 0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 3dwc h TYR 364 Cb 0.27 0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.70 3dwc h TYR 364 CO -0.02 -0.22 0.18 0.93 -1.32 0.00 0.00 178.16 177.71 3dwc h GLU 365 N 0.05 1.09 -0.30 1.82 5.08 -1.22 -1.07 114.58 120.03 3dwc h GLU 365 Ca 0.30 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3dwc h GLU 365 Cb 0.47 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3dwc h GLU 365 CO -0.57 0.96 -0.09 0.82 -1.00 0.00 0.00 179.01 179.14 3dwc h ILE 366 N 1.02 1.28 -0.70 3.13 2.04 -0.52 -0.66 117.51 123.09 3dwc h ILE 366 Ca 0.22 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3dwc h ILE 366 Cb 0.36 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3dwc h ILE 366 CO 0.00 0.37 0.37 -0.33 0.00 0.00 0.00 178.15 178.56 3dwc h GLU 367 N 0.36 0.99 -0.33 2.37 5.08 -0.67 -1.25 114.58 121.13 3dwc h GLU 367 Ca 0.07 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3dwc h GLU 367 Cb 0.58 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3dwc h GLU 367 CO 0.03 0.75 0.13 -0.09 -1.00 0.00 0.00 179.01 178.83 3dwc h ARG 368 N 0.97 0.50 -0.24 2.33 2.43 -1.05 -1.74 114.38 117.59 3dwc h ARG 368 Ca 0.25 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3dwc h ARG 368 Cb 0.06 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3dwc h ARG 368 CO -0.04 0.50 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.19 3dwc h ASP 369 N 0.39 0.48 -0.44 -3.80 3.32 -1.04 -0.03 116.42 115.30 3dwc h ASP 369 Ca 0.11 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3dwc h ASP 369 Cb 0.20 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3dwc h ASP 369 CO -0.01 0.76 0.19 -0.07 -1.72 0.00 0.00 179.24 178.39 3dwc h LEU 370 N 0.41 0.60 -1.13 1.55 3.38 -1.09 0.56 115.31 119.59 3dwc h LEU 370 Ca 0.05 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3dwc h LEU 370 Cb 0.73 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3dwc h LEU 370 CO 0.06 0.60 -0.40 0.24 0.09 0.00 0.00 178.44 179.02 3dwc h MET 371 N 0.57 0.00 0.00 1.13 2.86 -0.98 -2.40 114.93 116.12 3dwc h MET 371 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3dwc h MET 371 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3dwc h MET 371 CO -0.01 0.40 -0.00 -0.25 1.06 0.00 0.00 176.91 178.10 3dwc n ASP 372 N -3.82 0.05 -3.62 1.22 8.00 -0.05 -4.92 116.55 113.41 3dwc n ASP 372 Ca -0.01 0.50 -0.23 0.00 0.71 0.00 0.00 54.79 55.75 3dwc n ASP 372 Cb 0.46 -0.52 0.07 0.00 -0.02 0.00 0.00 41.12 41.12 3dwc n ASP 372 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dwc n GLY 373 N 1.49 -0.50 0.08 0.44 0.00 -0.85 -4.91 105.19 100.94 3dwc n GLY 373 Ca 0.07 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 3dwc n GLY 373 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwc h ASN 374 N -2.45 0.00 -5.13 1.61 2.35 -1.16 -3.49 115.58 107.32 3dwc h ASN 374 Ca -0.58 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.06 3dwc h ASN 374 Cb 1.36 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.57 3dwc h ASN 374 CO 0.56 0.90 -0.50 0.27 -1.65 0.00 0.00 177.43 177.01 3dwc s ILE 375 N -2.71 0.15 0.47 2.81 -4.36 -1.09 -5.02 121.20 111.45 3dwc s ILE 375 Ca -0.02 -1.21 0.05 0.00 -0.26 0.00 0.00 60.65 59.21 3dwc s ILE 375 Cb 0.09 -1.10 -0.03 0.00 1.25 0.00 0.00 42.46 42.67 3dwc s ILE 375 CO 0.82 -0.67 0.12 -1.61 0.24 0.00 0.00 174.94 173.84 3dwc s GLU 376 N -3.10 2.17 0.62 0.37 0.41 -1.26 -4.21 118.70 113.69 3dwc s GLU 376 Ca -0.01 -2.11 0.33 0.00 -0.41 0.00 0.00 54.97 52.77 3dwc s GLU 376 Cb 0.02 -1.78 1.79 0.00 -1.78 0.00 0.00 34.13 32.37 3dwc s GLU 376 CO -0.07 -0.27 2.00 0.00 -0.49 0.00 0.00 175.26 176.43 3dwc h ALA 377 N 1.36 1.19 -0.67 5.21 0.00 -1.95 -0.08 119.26 124.33 3dwc h ALA 377 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3dwc h ALA 377 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3dwc h ALA 377 CO 0.72 -0.19 0.00 -0.85 0.00 0.00 0.00 179.25 178.92 3dwc n GLU 378 N -2.84 3.17 -0.01 0.00 -0.00 -1.26 -3.77 120.64 115.93 3dwc n GLU 378 Ca -0.02 -2.72 0.04 0.00 -0.00 0.00 0.00 57.16 54.45 3dwc n GLU 378 Cb 0.25 -1.69 0.03 0.00 -0.00 0.00 0.00 31.44 30.04 3dwc n GLU 378 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3dwc n GLU 379 N 1.32 0.11 -0.11 3.44 1.02 -0.04 -4.81 120.64 121.57 3dwc n GLU 379 Ca 0.24 -0.96 -0.11 0.00 -0.02 0.00 0.00 57.16 56.31 3dwc n GLU 379 Cb 0.73 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.98 3dwc n GLU 379 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dwc h VAL 380 N 1.38 1.27 -0.23 2.62 2.07 -1.65 -2.46 116.25 119.25 3dwc h VAL 380 Ca 0.00 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.53 3dwc h VAL 380 Cb 0.31 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3dwc h VAL 380 CO 0.00 0.34 -0.02 1.55 0.02 0.00 0.00 177.57 179.46 3dwc h PRO 381 N 0.40 0.05 -0.52 1.57 0.13 -1.87 0.21 132.00 131.96 3dwc h PRO 381 Ca 0.09 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.22 3dwc h PRO 381 Cb 0.50 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.59 3dwc h PRO 381 CO 0.02 0.03 0.34 -0.09 -0.23 0.00 0.00 178.00 178.07 3dwc h ARG 382 N 0.05 0.67 -0.05 0.86 2.43 -1.90 -0.56 114.38 115.89 3dwc h ARG 382 Ca 0.11 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.05 3dwc h ARG 382 Cb 0.15 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3dwc h ARG 382 CO -0.20 0.45 -0.79 0.28 -1.51 0.00 0.00 179.97 178.20 3dwc h VAL 383 N 0.69 1.41 -0.42 0.20 2.07 -1.35 -0.84 116.25 118.02 3dwc h VAL 383 Ca 0.19 -2.28 -0.03 0.00 0.82 0.00 0.00 66.70 65.40 3dwc h VAL 383 Cb -0.07 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3dwc h VAL 383 CO -0.05 0.68 0.13 -0.25 0.02 0.00 0.00 177.57 178.10 3dwc h TRP 384 N 0.22 0.67 0.22 1.57 2.91 -0.36 -0.47 115.95 120.71 3dwc h TRP 384 Ca -0.04 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.90 3dwc h TRP 384 Cb 1.38 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 3dwc h TRP 384 CO 0.04 0.62 -0.11 -0.97 -1.03 0.00 0.00 178.44 176.99 3dwc h ASN 385 N 0.53 -0.25 -0.95 2.65 -1.24 -1.09 -0.51 115.58 114.72 3dwc h ASN 385 Ca 0.13 -0.09 0.07 0.00 0.71 0.00 0.00 56.30 57.13 3dwc h ASN 385 Cb 0.26 0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.31 3dwc h ASN 385 CO -0.00 -0.07 0.61 -0.33 -1.29 0.00 0.00 177.43 176.35 3dwc h GLU 386 N -0.42 1.05 -0.07 6.67 5.08 -1.05 -0.77 114.58 125.06 3dwc h GLU 386 Ca -0.03 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 3dwc h GLU 386 Cb 0.32 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3dwc h GLU 386 CO 0.05 0.69 -0.75 0.87 -1.00 0.00 0.00 179.01 178.87 3dwc h LYS 387 N 1.08 0.63 -0.52 2.33 1.57 -1.07 -2.51 116.57 118.07 3dwc h LYS 387 Ca 0.41 -0.59 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3dwc h LYS 387 Cb 0.22 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3dwc h LYS 387 CO -0.16 1.20 0.16 0.52 -0.57 0.00 0.00 179.45 180.60 3dwc h MET 388 N 0.28 0.78 -0.32 3.15 2.86 -0.87 0.60 114.93 121.41 3dwc h MET 388 Ca -0.07 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 3dwc h MET 388 Cb 1.40 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 3dwc h MET 388 CO 0.15 0.68 -0.06 0.87 1.06 0.00 0.00 176.91 179.60 3dwc h LYS 389 N 0.76 0.60 -0.16 1.72 1.57 -0.43 -1.62 116.57 119.01 3dwc h LYS 389 Ca 0.18 -0.22 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 3dwc h LYS 389 Cb 0.22 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.50 3dwc h LYS 389 CO -0.01 0.78 -0.62 1.03 -0.57 0.00 0.00 179.45 180.06 3dwc h SER 390 N 0.38 0.82 0.11 0.86 0.87 -1.21 -1.86 113.55 113.53 3dwc h SER 390 Ca 0.08 -0.61 -0.33 0.00 -1.23 0.00 0.00 61.79 59.70 3dwc h SER 390 Cb 0.55 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3dwc h SER 390 CO 0.03 1.30 -1.77 1.88 -0.53 0.00 0.00 176.83 177.74 3dwc h TYR 391 N 0.40 0.42 -0.01 2.24 0.05 -0.97 -3.42 116.97 115.68 3dwc h TYR 391 Ca -0.03 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.44 3dwc h TYR 391 Cb 1.25 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3dwc h TYR 391 CO 0.09 1.70 -0.07 1.28 -1.05 0.00 0.00 178.16 180.11 3dwc n LEU 392 N -3.72 1.15 0.00 3.88 4.77 -0.67 -4.74 117.00 117.68 3dwc n LEU 392 Ca -0.30 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3dwc n LEU 392 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 3dwc n LEU 392 CO 0.39 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3dwc n GLY 393 N 0.57 0.67 3.32 -0.72 0.00 -0.70 -4.88 105.19 103.45 3dwc n GLY 393 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3dwc n GLY 393 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwc s LEU 394 N 0.00 2.27 -0.04 0.99 1.43 -0.98 -4.87 118.68 117.48 3dwc s LEU 394 Ca 0.00 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 3dwc s LEU 394 Cb 0.00 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 3dwc s LEU 394 CO 0.00 0.26 0.46 -0.70 0.23 0.00 0.00 176.35 176.60 3dwc s GLU 395 N -0.22 4.16 0.00 1.70 2.12 -1.26 -1.91 118.70 123.29 3dwc s GLU 395 Ca -0.01 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.80 3dwc s GLU 395 Cb -0.13 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3dwc s GLU 395 CO 0.03 0.44 0.38 0.25 -0.54 0.00 0.00 175.26 175.83 3dwc n THR 396 N 2.64 0.00 -1.68 -1.70 -2.24 -1.26 -5.00 114.28 105.04 3dwc n THR 396 Ca -0.10 -0.50 -0.46 0.00 -2.27 0.00 0.00 64.05 60.72 3dwc n THR 396 Cb 0.52 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 3dwc n THR 396 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3dwc n LEU 397 N -0.23 3.50 0.00 3.22 7.94 -1.26 0.02 117.00 130.19 3dwc n LEU 397 Ca 0.00 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.92 3dwc n LEU 397 Cb 0.00 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.51 3dwc n LEU 397 CO 0.00 -0.07 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 3dwc n GLY 398 N 4.00 1.96 2.58 -3.96 0.00 -1.26 -4.92 105.19 103.59 3dwc n GLY 398 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3dwc n GLY 398 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dwc n ASN 399 N 0.00 4.19 0.29 1.61 5.15 0.10 -4.87 115.26 121.74 3dwc n ASN 399 Ca 0.00 -3.50 0.18 0.00 -0.60 0.00 0.00 54.58 50.65 3dwc n ASN 399 Cb 0.00 -0.70 0.84 0.00 -0.53 0.00 0.00 39.78 39.40 3dwc n ASN 399 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3dwc h ASP 400 N 4.00 0.00 -0.24 1.20 3.32 -1.92 -2.19 116.42 120.59 3dwc h ASP 400 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 3dwc h ASP 400 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3dwc h ASP 400 CO 0.88 0.03 0.01 0.50 -1.72 0.00 0.00 179.24 178.94 3dwc h LYS 401 N 0.00 0.42 -0.51 3.56 3.64 -1.92 -2.04 116.57 119.72 3dwc h LYS 401 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3dwc h LYS 401 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3dwc h LYS 401 CO 0.00 0.58 0.00 0.39 -2.27 0.00 0.00 179.45 178.16 3dwc n GLU 402 N -4.66 2.25 0.00 1.90 1.02 -1.16 -3.14 120.64 116.84 3dwc n GLU 402 Ca -0.04 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 3dwc n GLU 402 Cb 0.23 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3dwc n GLU 402 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dwc n GLY 403 N 1.23 1.14 0.26 0.62 0.00 -0.84 -4.53 105.19 103.08 3dwc n GLY 403 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3dwc n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwc h LEU 405 N 0.06 0.00 -0.13 0.00 3.38 -1.62 -3.38 115.31 113.63 3dwc h LEU 405 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3dwc h LEU 405 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dwc h LEU 405 CO 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.45 3dwc n GLN 406 N -3.08 -0.06 -4.04 1.13 6.02 -0.71 -4.74 117.38 111.91 3dwc n GLN 406 Ca 0.01 0.21 -0.31 0.00 -0.01 0.00 0.00 57.00 56.90 3dwc n GLN 406 Cb 0.36 -0.31 -0.06 0.00 1.02 0.00 0.00 30.24 31.25 3dwc n GLN 406 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dwc s ASP 407 N -4.89 5.77 0.38 1.08 -0.00 -1.26 -5.01 116.67 112.73 3dwc s ASP 407 Ca -0.02 0.11 0.28 0.00 -0.00 0.00 0.00 52.55 52.92 3dwc s ASP 407 Cb 0.01 -1.64 1.04 0.00 -0.00 0.00 0.00 42.92 42.33 3dwc s ASP 407 CO 0.08 0.21 1.81 1.62 -0.00 0.00 0.00 175.17 178.89 3dwc h VAL 408 N 2.71 0.00 -0.39 -1.27 3.04 -1.97 -3.40 116.25 114.97 3dwc h VAL 408 Ca -0.47 -0.45 0.07 0.00 -1.01 0.00 0.00 66.70 64.84 3dwc h VAL 408 Cb 1.17 1.34 -0.06 0.00 -2.01 0.00 0.00 31.29 31.73 3dwc h VAL 408 CO 0.67 0.00 0.02 0.45 -1.01 0.00 0.00 177.57 177.70 3dwc h HIS 409 N 0.00 0.02 -0.08 3.17 3.86 -1.95 -1.17 115.15 119.00 3dwc h HIS 409 Ca 0.00 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3dwc h HIS 409 Cb 0.53 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3dwc h HIS 409 CO 0.00 -0.05 -0.04 -1.49 0.86 0.00 0.00 177.93 177.20 3dwc h TRP 410 N 0.13 0.20 -0.01 2.45 6.55 -1.77 -1.10 115.95 122.40 3dwc h TRP 410 Ca 0.19 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.98 3dwc h TRP 410 Cb 0.26 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.51 3dwc h TRP 410 CO -0.25 0.55 0.04 0.66 -1.05 0.00 0.00 178.44 178.39 3dwc h SER 411 N -0.20 0.00 0.00 -3.49 4.64 -1.83 0.36 113.55 113.03 3dwc h SER 411 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dwc h SER 411 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3dwc h SER 411 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3dwc n GLY 412 N -1.19 -0.68 2.26 -0.77 0.00 -0.46 -4.64 105.19 99.70 3dwc n GLY 412 Ca -0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3dwc n GLY 412 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwc n GLY 413 N 0.35 -0.16 3.05 -0.02 0.00 0.13 -5.01 105.19 103.53 3dwc n GLY 413 Ca 0.15 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 3dwc n GLY 413 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dwc s MET 414 N -4.67 2.05 -0.07 1.61 -1.94 -0.51 -5.02 119.30 110.75 3dwc s MET 414 Ca 0.01 -2.22 0.04 0.00 -1.71 0.00 0.00 55.69 51.81 3dwc s MET 414 Cb -0.00 -3.49 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 3dwc s MET 414 CO 0.01 -1.08 -0.20 0.12 -0.01 0.00 0.00 175.02 173.85 3dwc s PHE 415 N 0.42 2.56 0.00 -0.03 5.36 -1.26 -4.09 117.98 120.95 3dwc s PHE 415 Ca 0.13 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.54 3dwc s PHE 415 Cb -0.22 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3dwc s PHE 415 CO -0.04 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.02 3dwc n GLY 416 N 2.88 0.76 0.07 13.12 0.00 -1.26 -4.59 105.19 116.16 3dwc n GLY 416 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3dwc n GLY 416 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dwc h TYR 417 N 0.00 0.00 -0.82 1.61 5.03 -1.88 -3.40 116.97 117.50 3dwc h TYR 417 Ca 0.00 0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.51 3dwc h TYR 417 Cb 0.00 0.00 -0.14 0.00 1.55 0.00 0.00 36.73 38.14 3dwc h TYR 417 CO 0.00 0.73 0.04 0.74 -1.32 0.00 0.00 178.16 178.34 3dwc h PHE 418 N -1.00 -0.00 -0.77 -3.82 0.04 -1.93 -1.89 116.94 107.58 3dwc h PHE 418 Ca -0.02 0.06 0.21 0.00 2.80 0.00 0.00 57.97 61.01 3dwc h PHE 418 Cb 0.73 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 3dwc h PHE 418 CO 0.17 -0.27 0.54 -1.35 -0.60 0.00 0.00 178.31 176.80 3dwc h PRO 419 N 0.10 0.11 0.00 1.51 0.11 -1.87 -1.98 132.00 129.99 3dwc h PRO 419 Ca 0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 3dwc h PRO 419 Cb 0.87 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3dwc h PRO 419 CO -0.72 0.07 -0.07 1.79 -0.21 0.00 0.00 178.00 178.87 3dwc h THR 420 N 0.12 0.88 -0.52 -1.15 1.35 -1.61 -2.54 112.91 109.44 3dwc h THR 420 Ca 0.37 -0.25 0.08 0.00 -0.55 0.00 0.00 66.41 66.06 3dwc h THR 420 Cb 1.31 1.14 -0.06 0.00 -1.73 0.00 0.00 68.15 68.81 3dwc h THR 420 CO -0.05 0.07 0.16 1.88 -0.25 0.00 0.00 175.52 177.33 3dwc h TYR 421 N 0.00 0.28 0.12 4.73 0.05 -1.53 0.73 116.97 121.35 3dwc h TYR 421 Ca -0.00 0.03 -0.27 0.00 0.05 0.00 0.00 58.73 58.54 3dwc h TYR 421 Cb 0.14 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3dwc h TYR 421 CO 0.00 0.06 -1.22 0.77 -1.05 0.00 0.00 178.16 176.73 3dwc h SER 422 N 0.32 0.44 -0.63 3.88 0.02 -1.65 -2.20 113.55 113.72 3dwc h SER 422 Ca 0.26 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3dwc h SER 422 Cb 0.31 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 3dwc h SER 422 CO -0.28 1.34 0.24 -0.07 -1.14 0.00 0.00 176.83 176.92 3dwc h LEU 423 N 0.09 0.24 -0.49 5.07 3.38 -1.42 0.65 115.31 122.83 3dwc h LEU 423 Ca -0.13 0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3dwc h LEU 423 Cb 1.94 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.69 3dwc h LEU 423 CO 0.20 0.14 0.17 1.23 0.09 0.00 0.00 178.44 180.27 3dwc h GLY 424 N 0.42 0.65 0.88 0.83 0.00 -0.59 0.37 103.07 105.63 3dwc h GLY 424 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.59 3dwc h GLY 424 CO -0.32 0.00 0.46 0.00 0.00 0.00 0.00 176.54 176.68 3dwc h ALA 425 N 1.33 0.94 -0.38 3.60 0.00 -0.67 -0.12 119.26 123.97 3dwc h ALA 425 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3dwc h ALA 425 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dwc h ALA 425 CO -0.25 0.25 -0.31 0.52 0.00 0.00 0.00 179.25 179.46 3dwc h MET 426 N 0.90 0.88 -0.64 0.00 2.07 -0.42 -0.98 114.93 116.74 3dwc h MET 426 Ca 0.29 -0.44 0.03 0.00 -2.07 0.00 0.00 59.70 57.50 3dwc h MET 426 Cb 0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 29.70 3dwc h MET 426 CO -0.10 1.09 0.39 0.28 1.07 0.00 0.00 176.91 179.64 3dwc h VAL 427 N 0.69 1.08 -0.15 -2.22 2.07 0.21 -1.36 116.25 116.56 3dwc h VAL 427 Ca 0.07 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3dwc h VAL 427 Cb 0.90 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3dwc h VAL 427 CO 0.08 0.14 0.09 0.00 0.02 0.00 0.00 177.57 177.90 3dwc h ALA 428 N 1.28 0.20 -0.46 1.67 0.00 -0.76 -1.15 119.26 120.03 3dwc h ALA 428 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dwc h ALA 428 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dwc h ALA 428 CO -0.11 -0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.10 3dwc h ALA 429 N 1.00 0.59 -0.62 0.00 0.00 -1.03 -1.42 119.26 117.78 3dwc h ALA 429 Ca 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dwc h ALA 429 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3dwc h ALA 429 CO -0.01 0.12 0.23 0.37 0.00 0.00 0.00 179.25 179.96 3dwc h GLN 430 N 0.60 0.92 -0.21 0.00 4.15 -1.08 -2.04 115.11 117.45 3dwc h GLN 430 Ca 0.16 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 3dwc h GLN 430 Cb 0.07 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3dwc h GLN 430 CO -0.02 0.77 -0.06 1.25 -1.93 0.00 0.00 178.83 178.83 3dwc h LEU 431 N 0.90 0.41 -0.67 -2.39 6.46 -1.00 -2.54 115.31 116.48 3dwc h LEU 431 Ca 0.21 -0.38 -0.09 0.00 -0.12 0.00 0.00 57.88 57.50 3dwc h LEU 431 Cb 0.20 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3dwc h LEU 431 CO -0.02 0.70 0.07 -0.03 -0.62 0.00 0.00 178.44 178.54 3dwc h MET 432 N 0.12 1.10 -0.91 1.25 4.05 -1.12 -1.36 114.93 118.07 3dwc h MET 432 Ca 0.05 -0.31 0.08 0.00 -0.28 0.00 0.00 59.70 59.24 3dwc h MET 432 Cb 0.53 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.14 3dwc h MET 432 CO 0.02 1.03 0.56 0.77 0.23 0.00 0.00 176.91 179.52 3dwc h SER 433 N 1.02 0.86 -0.35 1.39 0.02 -1.35 -0.68 113.55 114.46 3dwc h SER 433 Ca 0.19 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 3dwc h SER 433 Cb 0.49 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3dwc h SER 433 CO 0.02 0.52 0.03 0.00 -1.14 0.00 0.00 176.83 176.26 3dwc h VAL 435 N 0.41 1.25 -0.64 0.00 2.07 -0.73 -1.64 116.25 116.97 3dwc h VAL 435 Ca 0.10 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3dwc h VAL 435 Cb 0.41 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3dwc h VAL 435 CO 0.01 0.35 0.35 0.03 0.02 0.00 0.00 177.57 178.33 3dwc h ARG 436 N 0.79 0.90 0.06 1.57 3.08 -1.14 0.27 114.38 119.92 3dwc h ARG 436 Ca 0.17 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3dwc h ARG 436 Cb 0.40 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3dwc h ARG 436 CO 0.01 0.69 -0.16 0.00 -1.07 0.00 0.00 179.97 179.44 3dwc h ARG 437 N 0.88 -0.28 -0.08 0.04 3.08 -1.15 0.66 114.38 117.53 3dwc h ARG 437 Ca 0.23 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3dwc h ARG 437 Cb 0.05 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3dwc h ARG 437 CO -0.04 -0.19 -0.07 0.93 -1.07 0.00 0.00 179.97 179.53 3dwc h GLU 438 N -0.29 0.19 0.05 0.04 5.08 -1.12 -3.30 114.58 115.22 3dwc h GLU 438 Ca 0.03 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 3dwc h GLU 438 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3dwc h GLU 438 CO -0.11 0.61 -1.03 -0.07 -1.00 0.00 0.00 179.01 177.41 3dwc h LEU 439 N -0.23 0.37 0.00 1.33 4.07 -0.52 -3.51 115.31 116.83 3dwc h LEU 439 Ca 0.01 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3dwc h LEU 439 Cb 0.57 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3dwc h LEU 439 CO 0.02 1.19 0.00 0.61 -1.08 0.00 0.00 178.44 179.18 3dwc n GLY 440 N 1.17 2.26 0.35 0.83 0.00 0.23 -4.50 105.19 105.52 3dwc n GLY 440 Ca -0.06 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.52 3dwc n GLY 440 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dwc h GLU 441 N 0.00 0.66 -0.23 1.61 5.08 -1.88 -1.68 114.58 118.14 3dwc h GLU 441 Ca 0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3dwc h GLU 441 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3dwc h GLU 441 CO 0.00 0.44 -0.09 1.05 -1.00 0.00 0.00 179.01 179.41 3dwc h GLU 442 N 0.68 0.47 -0.90 2.33 9.09 -1.91 -1.20 114.58 123.14 3dwc h GLU 442 Ca 0.28 -0.20 -0.01 0.00 0.05 0.00 0.00 59.36 59.48 3dwc h GLU 442 Cb 0.25 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.29 3dwc h GLU 442 CO -0.09 0.73 0.51 0.28 0.05 0.00 0.00 179.01 180.49 3dwc h VAL 443 N 0.20 1.26 0.05 -1.06 2.07 -1.67 -2.23 116.25 114.87 3dwc h VAL 443 Ca 0.06 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3dwc h VAL 443 Cb 0.57 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3dwc h VAL 443 CO 0.03 0.28 -0.03 0.58 0.02 0.00 0.00 177.57 178.46 3dwc h VAL 444 N 1.26 1.23 -0.91 2.57 2.07 -1.18 -0.24 116.25 121.05 3dwc h VAL 444 Ca 0.32 -0.99 0.13 0.00 0.82 0.00 0.00 66.70 66.98 3dwc h VAL 444 Cb 0.01 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.56 3dwc h VAL 444 CO -0.05 0.25 0.53 0.44 0.02 0.00 0.00 177.57 178.75 3dwc h ASP 445 N -0.52 0.73 -0.21 0.57 3.32 -1.26 -1.27 116.42 117.79 3dwc h ASP 445 Ca -0.01 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3dwc h ASP 445 Cb 0.46 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3dwc h ASP 445 CO 0.01 0.35 -0.03 0.44 -1.72 0.00 0.00 179.24 178.29 3dwc h ASP 446 N 0.80 0.39 -0.55 6.45 5.19 -1.26 -0.83 116.42 126.60 3dwc h ASP 446 Ca 0.48 -0.35 0.11 0.00 -0.62 0.00 0.00 57.03 56.64 3dwc h ASP 446 Cb 0.57 -0.10 -0.08 0.00 0.18 0.00 0.00 39.33 39.89 3dwc h ASP 446 CO -0.31 0.64 0.06 0.00 -3.12 0.00 0.00 179.24 176.52 3dwc h ILE 448 N 0.18 1.35 0.00 0.00 2.04 -1.17 0.55 117.51 120.46 3dwc h ILE 448 Ca 0.29 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3dwc h ILE 448 Cb 0.43 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3dwc h ILE 448 CO -0.42 0.32 -0.11 0.08 0.00 0.00 0.00 178.15 178.02 3dwc h ARG 449 N -0.59 0.00 -0.13 2.37 0.11 -1.15 -2.02 114.38 112.97 3dwc h ARG 449 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dwc h ARG 449 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3dwc h ARG 449 CO 0.01 0.11 0.00 1.63 0.10 0.00 0.00 179.97 181.82 3dwc n LYS 450 N -3.76 2.10 -3.06 0.08 5.02 -0.74 -3.60 118.16 114.20 3dwc n LYS 450 Ca -0.02 -1.62 -0.22 0.00 -2.02 0.00 0.00 58.31 54.42 3dwc n LYS 450 Cb 0.21 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3dwc n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwc n GLY 451 N 1.30 -0.52 3.04 0.72 0.00 -0.76 -4.94 105.19 104.04 3dwc n GLY 451 Ca 0.17 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 3dwc n GLY 451 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dwc s ASP 452 N -2.67 5.61 0.00 1.61 -1.08 0.13 -4.93 116.67 115.34 3dwc s ASP 452 Ca 0.31 -3.75 0.30 0.00 -0.52 0.00 0.00 52.55 48.89 3dwc s ASP 452 Cb -0.14 -1.82 1.43 0.00 -1.46 0.00 0.00 42.92 40.93 3dwc s ASP 452 CO 0.38 -0.15 1.96 0.18 0.52 0.00 0.00 175.17 178.06 3dwc n LEU 453 N 2.24 0.78 -0.12 -1.34 4.77 -1.26 -4.50 117.00 117.57 3dwc n LEU 453 Ca 0.20 -0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 3dwc n LEU 453 Cb 0.36 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3dwc n LEU 453 CO 0.33 0.13 0.93 1.23 -1.33 0.00 0.00 177.39 178.69 3dwc h GLY 454 N 4.93 0.50 0.88 -0.72 0.00 -1.92 0.24 103.07 106.98 3dwc h GLY 454 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.35 3dwc h GLY 454 CO 0.00 0.00 0.53 0.50 0.00 0.00 0.00 176.54 177.57 3dwc h LYS 455 N 0.27 0.79 -0.09 4.80 1.57 -2.00 -1.15 116.57 120.76 3dwc h LYS 455 Ca 0.19 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.79 3dwc h LYS 455 Cb 0.19 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.33 3dwc h LYS 455 CO -0.21 0.53 -0.44 0.82 -0.57 0.00 0.00 179.45 179.57 3dwc h ILE 456 N 0.82 1.38 -0.15 1.86 2.04 -1.56 -2.91 117.51 118.99 3dwc h ILE 456 Ca 0.36 -1.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 3dwc h ILE 456 Cb 0.34 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3dwc h ILE 456 CO -0.14 0.53 -0.21 -0.07 0.00 0.00 0.00 178.15 178.26 3dwc h LEU 457 N 0.04 0.25 -0.56 1.44 3.38 -0.63 -2.11 115.31 117.13 3dwc h LEU 457 Ca -0.03 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3dwc h LEU 457 Cb 1.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3dwc h LEU 457 CO 0.09 0.48 -0.26 0.00 0.09 0.00 0.00 178.44 178.84 3dwc h ALA 458 N 1.55 0.75 -0.86 1.53 0.00 -1.20 0.43 119.26 121.45 3dwc h ALA 458 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3dwc h ALA 458 Cb 0.51 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3dwc h ALA 458 CO 0.03 0.66 0.51 0.87 0.00 0.00 0.00 179.25 181.32 3dwc h LYS 459 N 0.75 1.18 -0.52 0.00 1.79 -1.25 -0.54 116.57 117.97 3dwc h LYS 459 Ca 0.09 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 3dwc h LYS 459 Cb 0.81 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 3dwc h LYS 459 CO 0.07 0.83 0.06 1.96 -1.08 0.00 0.00 179.45 181.29 3dwc h GLN 460 N 1.19 0.89 -0.09 3.15 4.20 -0.91 -0.47 115.11 123.06 3dwc h GLN 460 Ca 0.31 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dwc h GLN 460 Cb -0.03 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3dwc h GLN 460 CO -0.06 0.88 0.04 -0.97 -0.67 0.00 0.00 178.83 178.06 3dwc h ASN 461 N 0.77 0.13 -0.22 1.46 -1.24 -0.75 0.28 115.58 116.00 3dwc h ASN 461 Ca 0.16 -0.14 -0.18 0.00 0.71 0.00 0.00 56.30 56.84 3dwc h ASN 461 Cb 0.44 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.47 3dwc h ASN 461 CO 0.02 0.24 -0.58 1.05 -1.29 0.00 0.00 177.43 176.86 3dwc h GLU 462 N 0.01 0.79 -0.05 6.67 -0.00 -1.03 -1.66 114.58 119.31 3dwc h GLU 462 Ca 0.03 -0.55 -0.25 0.00 -0.00 0.00 0.00 59.36 58.60 3dwc h GLU 462 Cb 0.15 0.09 0.01 0.00 -0.00 0.00 0.00 28.75 29.00 3dwc h GLU 462 CO -0.00 1.17 -0.94 0.87 -0.00 0.00 0.00 179.01 180.11 3dwc h LYS 463 N 0.53 0.69 0.00 1.06 1.57 -1.11 -3.44 116.57 115.87 3dwc h LYS 463 Ca -0.01 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3dwc h LYS 463 Cb 1.20 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3dwc h LYS 463 CO 0.13 1.27 -0.03 -0.89 -0.57 0.00 0.00 179.45 179.36 3dwc n ILE 464 N -3.87 0.98 -0.31 1.86 2.08 0.05 -4.68 119.36 115.47 3dwc n ILE 464 Ca -0.09 0.32 -0.05 0.00 0.56 0.00 0.00 62.75 63.49 3dwc n ILE 464 Cb 0.83 -1.49 0.08 0.00 -0.75 0.00 0.00 39.64 38.31 3dwc n ILE 464 CO 0.00 0.00 0.00 -0.50 0.56 0.00 0.00 176.55 176.61 3dwc h TRP 465 N -0.03 1.17 0.00 1.39 6.55 -1.36 -2.16 115.95 121.50 3dwc h TRP 465 Ca 0.00 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.79 3dwc h TRP 465 Cb 0.03 -0.37 -0.00 0.00 -0.86 0.00 0.00 29.16 27.96 3dwc h TRP 465 CO -0.01 0.82 -0.08 -0.56 -1.05 0.00 0.00 178.44 177.55 3dwc h GLN 466 N 1.17 0.00 0.00 0.49 3.07 -1.43 -1.70 115.11 116.72 3dwc h GLN 466 Ca 0.29 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.86 3dwc h GLN 466 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.58 3dwc h GLN 466 CO -0.04 0.08 -1.09 0.45 0.09 0.00 0.00 178.83 178.32 3dwc h HIS 467 N 0.00 0.00 0.00 0.06 3.86 -1.63 -3.15 115.15 114.29 3dwc h HIS 467 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dwc h HIS 467 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3dwc h HIS 467 CO 0.00 0.70 0.00 0.41 0.86 0.00 0.00 177.93 179.90 3dwc n GLY 468 N 1.36 4.14 1.28 2.45 0.00 -1.15 -1.33 105.19 111.93 3dwc n GLY 468 Ca -0.05 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 3dwc n GLY 468 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwc n SER 469 N 7.98 2.57 0.19 1.61 7.64 0.37 -4.03 113.62 129.95 3dwc n SER 469 Ca 0.00 -3.79 0.12 0.00 1.01 0.00 0.00 58.87 56.21 3dwc n SER 469 Cb 0.00 -0.66 0.15 0.00 -1.01 0.00 0.00 64.21 62.69 3dwc n SER 469 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dwc h SER 470 N 1.01 0.00 -2.61 6.43 4.64 -1.31 -3.45 113.55 118.26 3dwc h SER 470 Ca 0.27 -0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.97 3dwc h SER 470 Cb 1.77 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.72 3dwc h SER 470 CO 0.46 0.00 -0.76 -0.76 -0.87 0.00 0.00 176.83 174.91 3dwc s LEU 471 N -5.97 2.69 0.95 5.97 1.43 -1.26 -4.84 118.68 117.65 3dwc s LEU 471 Ca 0.06 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 3dwc s LEU 471 Cb 0.06 -1.29 0.16 0.00 0.03 0.00 0.00 46.19 45.15 3dwc s LEU 471 CO 0.69 0.07 1.09 0.42 0.23 0.00 0.00 176.35 178.84 3dwc s THR 472 N -2.12 2.43 0.18 5.49 -4.23 -1.26 -4.73 115.64 111.40 3dwc s THR 472 Ca 0.27 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 3dwc s THR 472 Cb -0.07 -2.46 0.10 0.00 1.34 0.00 0.00 72.50 71.41 3dwc s THR 472 CO 0.14 -0.18 1.78 0.74 -0.54 0.00 0.00 174.62 176.56 3dwc h THR 473 N -1.82 1.21 -0.18 3.99 2.02 -1.95 0.26 112.91 116.45 3dwc h THR 473 Ca -0.51 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 3dwc h THR 473 Cb 1.29 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3dwc h THR 473 CO 0.52 0.24 0.11 0.44 0.37 0.00 0.00 175.52 177.19 3dwc h ASP 474 N 0.87 0.22 -0.47 4.18 3.32 -1.94 -0.52 116.42 122.07 3dwc h ASP 474 Ca 0.22 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3dwc h ASP 474 Cb 0.09 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3dwc h ASP 474 CO -0.03 0.21 0.29 -0.33 -1.72 0.00 0.00 179.24 177.66 3dwc h GLU 475 N 0.20 0.64 -0.13 3.56 5.08 -1.81 -0.79 114.58 121.33 3dwc h GLU 475 Ca 0.06 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3dwc h GLU 475 Cb 0.04 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3dwc h GLU 475 CO -0.01 0.46 -0.11 1.25 -1.00 0.00 0.00 179.01 179.60 3dwc h LEU 476 N 0.63 -0.34 -0.51 1.33 5.85 -0.03 -0.97 115.31 121.27 3dwc h LEU 476 Ca 0.17 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 3dwc h LEU 476 Cb -0.02 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3dwc h LEU 476 CO -0.03 -0.14 -0.73 -0.07 -0.34 0.00 0.00 178.44 177.12 3dwc h LEU 477 N -0.12 0.13 0.01 2.25 3.38 -1.02 -1.15 115.31 118.79 3dwc h LEU 477 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dwc h LEU 477 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dwc h LEU 477 CO -0.21 0.81 -0.00 0.03 0.09 0.00 0.00 178.44 179.16 3dwc h ARG 478 N 0.07 -0.01 -0.97 1.13 3.08 -0.92 0.47 114.38 117.22 3dwc h ARG 478 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dwc h ARG 478 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 3dwc h ARG 478 CO 0.10 0.17 0.62 0.37 -1.07 0.00 0.00 179.97 180.16 3dwc h GLN 479 N -0.19 1.29 -0.04 0.04 4.15 -1.13 0.18 115.11 119.42 3dwc h GLN 479 Ca -0.00 -0.09 -0.17 0.00 0.77 0.00 0.00 58.65 59.15 3dwc h GLN 479 Cb 0.18 -0.28 0.01 0.00 0.21 0.00 0.00 27.48 27.60 3dwc h GLN 479 CO 0.00 0.87 -0.66 0.00 -1.93 0.00 0.00 178.83 177.12 3dwc h ALA 480 N 1.36 0.13 0.00 3.38 0.00 -1.09 -3.39 119.26 119.65 3dwc h ALA 480 Ca 0.35 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dwc h ALA 480 Cb -0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dwc h ALA 480 CO -0.07 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.86 3dwc n THR 481 N -4.14 0.00 0.00 0.00 -2.24 0.14 -5.01 114.28 103.03 3dwc n THR 481 Ca -0.10 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3dwc n THR 481 Cb 0.69 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 3dwc n THR 481 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwc n GLY 482 N 0.11 1.19 3.34 3.38 0.00 0.63 -4.99 105.19 108.85 3dwc n GLY 482 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3dwc n GLY 482 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dwc s GLU 483 N -0.69 1.07 1.01 1.61 -1.05 -1.24 -4.88 118.70 114.54 3dwc s GLU 483 Ca 0.00 -0.58 -0.18 0.00 -0.15 0.00 0.00 54.97 54.06 3dwc s GLU 483 Cb 0.00 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3dwc s GLU 483 CO 0.00 -0.41 -0.35 2.41 0.95 0.00 0.00 175.26 177.86 3dwc n THR 484 N -0.07 0.00 -1.81 1.83 -1.04 -1.26 -2.91 114.28 109.01 3dwc n THR 484 Ca -0.17 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.16 3dwc n THR 484 Cb 0.63 -0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 3dwc n THR 484 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3dwc s LEU 485 N 2.82 4.39 -0.19 -4.42 2.96 -1.26 -4.93 118.68 118.05 3dwc s LEU 485 Ca 0.49 2.59 -0.00 0.00 -0.22 0.00 0.00 54.13 56.99 3dwc s LEU 485 Cb -0.13 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.05 3dwc s LEU 485 CO 0.71 -0.96 -0.06 0.21 -1.32 0.00 0.00 176.35 174.92 3dwc s ASN 486 N 3.00 3.13 0.00 3.68 3.84 -1.26 -5.02 114.94 122.31 3dwc s ASN 486 Ca 0.79 -0.80 0.10 0.00 0.21 0.00 0.00 52.86 53.16 3dwc s ASN 486 Cb -0.42 -1.03 0.47 0.00 -0.55 0.00 0.00 41.25 39.72 3dwc s ASN 486 CO 0.35 -0.18 1.29 -0.81 -2.79 0.00 0.00 177.10 174.95 3dwc n PRO 487 N 4.80 0.06 0.23 0.43 -0.04 -1.26 -3.22 135.00 135.99 3dwc n PRO 487 Ca -0.13 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 3dwc n PRO 487 Cb 0.47 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.96 3dwc n PRO 487 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3dwc h GLU 488 N 0.00 0.00 -0.44 0.54 4.57 -1.98 -2.09 114.58 115.19 3dwc h GLU 488 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 3dwc h GLU 488 Cb 0.15 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3dwc h GLU 488 CO 0.00 0.21 -0.27 0.45 -1.18 0.00 0.00 179.01 178.21 3dwc h HIS 489 N 0.00 1.09 -0.16 0.92 3.86 -1.92 -0.28 115.15 118.67 3dwc h HIS 489 Ca -0.00 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 58.92 3dwc h HIS 489 Cb 0.40 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3dwc h HIS 489 CO 0.00 1.10 0.09 -0.92 0.86 0.00 0.00 177.93 179.06 3dwc h TYR 490 N 0.80 0.21 -0.39 2.45 3.20 -1.64 -0.77 116.97 120.84 3dwc h TYR 490 Ca 0.09 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.04 3dwc h TYR 490 Cb 0.85 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 3dwc h TYR 490 CO 0.05 0.19 -0.18 -0.09 -1.64 0.00 0.00 178.16 176.49 3dwc h ARG 491 N 0.17 -0.11 -0.90 1.82 2.43 -1.11 -1.44 114.38 115.25 3dwc h ARG 491 Ca 0.06 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dwc h ARG 491 Cb 0.05 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3dwc h ARG 491 CO -0.01 -0.07 0.56 0.00 -1.51 0.00 0.00 179.97 178.93 3dwc h ARG 492 N -0.11 1.21 0.23 0.20 3.08 -0.89 -0.84 114.38 117.26 3dwc h ARG 492 Ca 0.19 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3dwc h ARG 492 Cb 0.41 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3dwc h ARG 492 CO -0.46 0.84 -0.21 1.25 -1.07 0.00 0.00 179.97 180.31 3dwc h HIS 493 N 1.23 -0.56 -0.60 3.04 2.76 -0.74 0.11 115.15 120.38 3dwc h HIS 493 Ca 0.32 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3dwc h HIS 493 Cb -0.08 0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 3dwc h HIS 493 CO -0.00 -0.32 0.10 -0.07 -1.30 0.00 0.00 177.93 176.33 3dwc h LEU 494 N -0.47 0.93 -0.33 0.26 3.38 -1.08 -0.63 115.31 117.37 3dwc h LEU 494 Ca -0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3dwc h LEU 494 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dwc h LEU 494 CO -0.04 0.93 0.03 -0.33 0.09 0.00 0.00 178.44 179.12 3dwc h GLU 495 N 0.92 0.56 -0.56 1.13 5.08 -1.08 -1.38 114.58 119.25 3dwc h GLU 495 Ca 0.19 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3dwc h GLU 495 Cb 0.40 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3dwc h GLU 495 CO 0.01 0.67 0.19 -0.09 -1.00 0.00 0.00 179.01 178.79 3dwc h ARG 496 N 0.38 0.86 -0.08 2.33 2.43 -0.61 -1.23 114.38 118.45 3dwc h ARG 496 Ca 0.10 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3dwc h ARG 496 Cb 0.40 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3dwc h ARG 496 CO 0.01 0.77 -0.35 -0.09 -1.51 0.00 0.00 179.97 178.80 3dwc h ARG 497 N 0.78 0.38 0.00 0.20 2.43 -1.11 -3.26 114.38 113.80 3dwc h ARG 497 Ca 0.18 -0.30 -0.34 0.00 -0.81 0.00 0.00 59.98 58.71 3dwc h ARG 497 Cb 0.25 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3dwc h ARG 497 CO -0.01 0.94 -2.28 0.66 -1.51 0.00 0.00 179.97 177.77 3dwc n TYR 498 N -4.38 0.00 -0.10 2.20 4.01 -0.52 -4.55 117.16 113.81 3dwc n TYR 498 Ca -0.08 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.46 3dwc n TYR 498 Cb 0.52 -0.92 -0.10 0.00 -0.31 0.00 0.00 39.34 38.54 3dwc n TYR 498 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dwc n ARG 499 N -2.71 0.55 0.00 -0.72 0.63 -0.69 -4.87 116.66 108.85 3dwc n ARG 499 Ca -0.31 0.52 0.15 0.00 -0.92 0.00 0.00 57.85 57.29 3dwc n ARG 499 Cb 1.10 -1.70 0.71 0.00 0.45 0.00 0.00 32.46 33.02 3dwc n ARG 499 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87