#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwc h MET 1 N 0.00 0.38 0.06 1.43 2.86 -1.90 -2.67 114.93 115.09 3dwc h MET 1 Ca 0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3dwc h MET 1 Cb 0.00 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 3dwc h MET 1 CO 0.00 0.25 -0.42 -0.22 1.06 0.00 0.00 176.91 177.57 3dwc h LYS 2 N 0.39 -0.55 -0.54 1.72 3.64 -2.00 0.73 116.57 119.96 3dwc h LYS 2 Ca 0.53 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.90 3dwc h LYS 2 Cb 0.98 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 3dwc h LYS 2 CO -0.52 -0.37 0.12 -1.00 -2.27 0.00 0.00 179.45 175.42 3dwc h PRO 3 N -0.57 0.82 0.04 1.90 0.13 -1.91 -1.13 132.00 131.28 3dwc h PRO 3 Ca 0.00 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3dwc h PRO 3 Cb 0.59 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.60 3dwc h PRO 3 CO -0.25 0.74 -0.02 -0.92 -0.23 0.00 0.00 178.00 177.32 3dwc h TYR 4 N 0.79 -0.06 -0.43 1.56 3.20 -1.08 -0.35 116.97 120.61 3dwc h TYR 4 Ca 0.17 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3dwc h TYR 4 Cb 0.30 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3dwc h TYR 4 CO 0.02 -0.03 0.20 0.87 -1.64 0.00 0.00 178.16 177.58 3dwc h LYS 5 N -0.06 0.59 -0.55 1.82 1.79 0.64 0.62 116.57 121.42 3dwc h LYS 5 Ca -0.01 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3dwc h LYS 5 Cb 0.05 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3dwc h LYS 5 CO 0.01 0.46 0.16 1.49 -1.08 0.00 0.00 179.45 180.49 3dwc h GLU 6 N 0.59 0.86 -0.84 3.15 4.57 -0.96 -1.74 114.58 120.22 3dwc h GLU 6 Ca 0.15 -0.19 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3dwc h GLU 6 Cb 0.07 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 3dwc h GLU 6 CO -0.02 0.79 0.53 -0.07 -1.18 0.00 0.00 179.01 179.06 3dwc h LEU 7 N 0.77 0.86 -0.49 1.64 3.38 -0.09 -2.10 115.31 119.27 3dwc h LEU 7 Ca 0.18 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3dwc h LEU 7 Cb 0.29 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3dwc h LEU 7 CO -0.00 0.57 0.23 -0.33 0.09 0.00 0.00 178.44 179.00 3dwc h GLU 8 N 1.00 0.45 -0.66 1.13 5.08 -0.38 0.12 114.58 121.32 3dwc h GLU 8 Ca 0.35 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.71 3dwc h GLU 8 Cb 0.08 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3dwc h GLU 8 CO -0.14 0.29 0.41 -0.09 -1.00 0.00 0.00 179.01 178.49 3dwc h ARG 9 N 0.46 0.79 -0.67 2.33 2.43 -1.02 -0.82 114.38 117.88 3dwc h ARG 9 Ca 0.22 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3dwc h ARG 9 Cb 0.15 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3dwc h ARG 9 CO -0.17 0.52 0.35 0.28 -1.51 0.00 0.00 179.97 179.44 3dwc h VAL 10 N 0.81 1.22 -0.00 0.20 2.07 -0.82 -2.26 116.25 117.47 3dwc h VAL 10 Ca 0.26 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 3dwc h VAL 10 Cb 0.01 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3dwc h VAL 10 CO -0.10 0.24 -0.63 -0.26 0.02 0.00 0.00 177.57 176.84 3dwc h PHE 11 N 0.92 0.00 -0.71 1.57 -1.00 -0.34 -1.80 116.94 115.58 3dwc h PHE 11 Ca 0.23 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.96 3dwc h PHE 11 Cb 0.07 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 3dwc h PHE 11 CO -0.00 0.63 0.24 1.15 -1.61 0.00 0.00 178.31 178.72 3dwc h THR 12 N 0.00 1.26 0.09 -1.55 2.02 -1.11 -0.90 112.91 112.72 3dwc h THR 12 Ca -0.01 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.32 3dwc h THR 12 Cb 1.12 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3dwc h THR 12 CO 0.08 0.34 -0.17 0.50 0.37 0.00 0.00 175.52 176.64 3dwc h LYS 13 N 1.05 -0.32 -0.83 6.66 3.64 -0.77 -1.81 116.57 124.20 3dwc h LYS 13 Ca 0.23 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 3dwc h LYS 13 Cb 0.29 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 3dwc h LYS 13 CO -0.01 -0.21 0.50 -0.07 -2.27 0.00 0.00 179.45 177.39 3dwc h LEU 14 N -0.33 0.76 -0.85 5.20 3.38 -1.23 -1.48 115.31 120.75 3dwc h LEU 14 Ca 0.03 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3dwc h LEU 14 Cb 0.35 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3dwc h LEU 14 CO -0.10 0.47 0.53 0.22 0.09 0.00 0.00 178.44 179.65 3dwc h TYR 15 N 0.89 0.99 -0.52 1.13 3.20 -0.91 0.95 116.97 122.70 3dwc h TYR 15 Ca 0.37 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 3dwc h TYR 15 Cb 0.23 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3dwc h TYR 15 CO -0.04 0.51 -0.08 0.00 -1.64 0.00 0.00 178.16 176.91 3dwc h ARG 16 N 0.99 0.97 -0.27 1.82 2.47 -0.42 -0.24 114.38 119.68 3dwc h ARG 16 Ca 0.37 -0.35 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 3dwc h ARG 16 Cb 0.14 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3dwc h ARG 16 CO -0.16 1.02 -0.28 1.88 0.56 0.00 0.00 179.97 182.99 3dwc h TYR 17 N 0.83 0.62 -0.44 3.04 0.05 -0.91 -3.00 116.97 117.17 3dwc h TYR 17 Ca 0.14 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3dwc h TYR 17 Cb 0.63 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 3dwc h TYR 17 CO 0.05 0.77 -0.04 0.78 -1.05 0.00 0.00 178.16 178.67 3dwc h GLY 18 N 1.02 0.81 -0.14 3.88 0.00 -0.27 -2.56 103.07 105.81 3dwc h GLY 18 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 47.33 46.92 3dwc h GLY 18 CO 0.06 0.51 -0.27 0.84 0.00 0.00 0.00 176.54 177.68 3dwc h HIS 19 N 0.69 -0.73 -0.46 5.60 -0.00 -0.91 -0.08 115.15 119.27 3dwc h HIS 19 Ca 0.13 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.63 3dwc h HIS 19 Cb 0.49 0.39 -0.07 0.00 -0.00 0.00 0.00 27.41 28.22 3dwc h HIS 19 CO 0.02 -0.34 0.07 0.52 -0.00 0.00 0.00 177.93 178.20 3dwc h MET 20 N -0.19 0.19 -0.52 5.26 2.07 -1.45 -1.91 114.93 118.39 3dwc h MET 20 Ca 0.20 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.80 3dwc h MET 20 Cb 0.50 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.17 3dwc h MET 20 CO -0.54 0.13 0.28 -0.07 1.07 0.00 0.00 176.91 177.78 3dwc h LEU 21 N 0.20 0.64 -0.80 1.22 3.38 -1.15 -0.05 115.31 118.75 3dwc h LEU 21 Ca 0.23 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3dwc h LEU 21 Cb 0.31 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3dwc h LEU 21 CO -0.32 0.55 0.15 -0.07 0.09 0.00 0.00 178.44 178.84 3dwc h LEU 22 N 0.69 0.99 0.01 1.67 3.38 -0.85 0.34 115.31 121.55 3dwc h LEU 22 Ca 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dwc h LEU 22 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3dwc h LEU 22 CO -0.03 0.96 -0.01 0.25 0.09 0.00 0.00 178.44 179.71 3dwc h LEU 23 N 1.00 -0.02 -1.30 1.67 5.85 -1.14 0.30 115.31 121.66 3dwc h LEU 23 Ca 0.21 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3dwc h LEU 23 Cb 0.37 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3dwc h LEU 23 CO 0.00 0.23 0.52 0.00 -0.34 0.00 0.00 178.44 178.86 3dwc h ALA 24 N 0.72 1.67 -0.03 1.25 0.00 -0.78 -0.03 119.26 122.05 3dwc h ALA 24 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3dwc h ALA 24 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dwc h ALA 24 CO 0.00 0.20 -0.30 0.22 0.00 0.00 0.00 179.25 179.38 3dwc h ASP 25 N 0.82 0.32 -0.56 0.00 3.58 -0.72 -1.92 116.42 117.95 3dwc h ASP 25 Ca 0.35 -0.70 0.09 0.00 0.42 0.00 0.00 57.03 57.19 3dwc h ASP 25 Cb 0.30 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.18 3dwc h ASP 25 CO -0.13 0.97 0.15 -0.25 -2.88 0.00 0.00 179.24 177.10 3dwc h TRP 26 N -0.31 0.25 -0.26 0.28 7.01 -0.51 -2.65 115.95 119.75 3dwc h TRP 26 Ca -0.03 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 3dwc h TRP 26 Cb 0.99 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 3dwc h TRP 26 CO 0.15 0.02 -0.39 0.22 -2.79 0.00 0.00 178.44 175.65 3dwc h ASP 27 N 0.30 0.65 0.05 2.65 3.58 -1.00 -2.34 116.42 120.30 3dwc h ASP 27 Ca 0.29 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dwc h ASP 27 Cb 0.38 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 3dwc h ASP 27 CO -0.34 0.97 -0.02 0.77 -2.88 0.00 0.00 179.24 177.74 3dwc h SER 28 N 0.50 0.00 0.21 2.28 4.64 -0.98 0.30 113.55 120.51 3dwc h SER 28 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dwc h SER 28 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3dwc h SER 28 CO 0.08 0.02 -0.93 1.41 -0.87 0.00 0.00 176.83 176.53 3dwc n HIS 29 N -3.90 0.05 0.04 4.77 8.25 -0.91 -4.46 115.22 119.06 3dwc n HIS 29 Ca -0.03 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3dwc n HIS 29 Cb 0.10 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.63 0.63 -0.04 1.59 -2.24 -0.92 -4.51 114.28 107.15 3dwc n THR 30 Ca 0.04 0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 62.00 3dwc n THR 30 Cb 0.36 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.07 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 -3.26 1.42 -2.17 -0.78 2.00 -0.24 -4.97 117.12 109.11 3dwc n MET 31 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 57.70 57.23 3dwc n MET 31 Cb 0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 33.22 32.04 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 -2.52 4.26 0.00 0.03 1.75 -0.07 -5.04 119.30 117.71 3dwc s MET 32 Ca -0.06 2.03 0.00 0.00 -1.25 0.00 0.00 55.69 56.41 3dwc s MET 32 Cb 0.05 -3.58 0.00 0.00 2.84 0.00 0.00 34.83 34.14 3dwc s MET 32 CO 0.54 -0.61 0.00 -0.35 -0.65 0.00 0.00 175.02 173.96 3dwc n PRO 33 N 5.44 0.00 0.00 4.11 -0.04 -1.26 -4.95 135.00 138.31 3dwc n PRO 33 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3dwc n PRO 33 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.00 0.54 5.02 -1.26 -4.18 118.16 118.28 3dwc n LYS 35 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3dwc n LYS 35 Cb 0.00 0.00 0.84 0.00 -0.02 0.00 0.00 35.03 35.85 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 -0.98 0.17 0.72 0.00 -1.26 -4.48 105.19 99.36 3dwc n GLY 36 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 0.25 -0.30 -0.49 1.61 0.87 -1.96 -0.80 113.55 112.72 3dwc h SER 37 Ca 0.00 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3dwc h SER 37 Cb 0.14 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3dwc h SER 37 CO 0.00 -0.12 0.29 0.44 -0.53 0.00 0.00 176.83 176.91 3dwc h ASP 38 N -0.45 0.47 -0.63 6.23 3.32 -1.98 -1.19 116.42 122.19 3dwc h ASP 38 Ca -0.04 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3dwc h ASP 38 Cb 0.34 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3dwc h ASP 38 CO 0.06 0.33 0.36 0.00 -1.72 0.00 0.00 179.24 178.27 3dwc h ALA 39 N 1.22 0.83 -0.55 3.45 0.00 -1.83 0.11 119.26 122.49 3dwc h ALA 39 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3dwc h ALA 39 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dwc h ALA 39 CO -0.09 0.07 -0.04 -0.09 0.00 0.00 0.00 179.25 179.10 3dwc h ARG 40 N 0.70 0.98 -0.16 0.00 9.65 -0.92 -2.13 114.38 122.49 3dwc h ARG 40 Ca 0.27 -0.32 -0.21 0.00 -1.10 0.00 0.00 59.98 58.62 3dwc h ARG 40 Cb 0.11 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3dwc h ARG 40 CO -0.15 0.99 -0.72 0.78 2.80 0.00 0.00 179.97 183.67 3dwc h GLY 41 N 0.98 0.85 0.87 2.80 0.00 -0.85 -1.15 103.07 106.57 3dwc h GLY 41 Ca 0.16 -1.18 0.05 0.00 0.00 0.00 0.00 47.33 46.36 3dwc h GLY 41 CO 0.03 1.05 0.61 0.00 0.00 0.00 0.00 176.54 178.24 3dwc h ALA 42 N 0.55 1.45 -0.04 3.60 0.00 -1.00 -1.01 119.26 122.82 3dwc h ALA 42 Ca -0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3dwc h ALA 42 Cb 1.35 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dwc h ALA 42 CO 0.15 0.43 -0.34 0.00 0.00 0.00 0.00 179.25 179.49 3dwc h ALA 43 N 1.48 0.10 -0.93 0.00 0.00 -1.15 -1.96 119.26 116.79 3dwc h ALA 43 Ca 0.39 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3dwc h ALA 43 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3dwc h ALA 43 CO -0.14 0.18 0.58 0.52 0.00 0.00 0.00 179.25 180.39 3dwc h MET 44 N -0.24 1.00 -0.43 0.00 2.86 -1.07 -2.01 114.93 115.04 3dwc h MET 44 Ca -0.03 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3dwc h MET 44 Cb 1.02 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3dwc h MET 44 CO 0.07 0.66 0.11 0.00 1.06 0.00 0.00 176.91 178.81 3dwc h ALA 45 N 1.45 0.57 -0.50 6.32 0.00 -1.08 -0.08 119.26 125.93 3dwc h ALA 45 Ca 0.42 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3dwc h ALA 45 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dwc h ALA 45 CO -0.20 0.25 0.14 1.49 0.00 0.00 0.00 179.25 180.93 3dwc h GLU 46 N 0.57 0.80 -0.40 0.00 4.57 -1.17 -1.25 114.58 117.69 3dwc h GLU 46 Ca 0.14 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 58.01 3dwc h GLU 46 Cb 0.31 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3dwc h GLU 46 CO 0.00 0.76 -0.22 1.25 -1.18 0.00 0.00 179.01 179.62 3dwc h LEU 47 N 0.69 0.89 -0.65 1.64 6.46 -1.18 -2.40 115.31 120.76 3dwc h LEU 47 Ca 0.16 -0.41 0.10 0.00 -0.12 0.00 0.00 57.88 57.60 3dwc h LEU 47 Cb 0.31 -0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 3dwc h LEU 47 CO -0.00 1.10 0.27 1.56 -0.62 0.00 0.00 178.44 180.76 3dwc h GLN 48 N 0.67 0.46 -0.38 1.25 4.20 -0.98 -1.35 115.11 118.98 3dwc h GLN 48 Ca 0.09 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.83 3dwc h GLN 48 Cb 0.78 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 3dwc h GLN 48 CO 0.06 0.30 0.03 1.25 -0.67 0.00 0.00 178.83 179.81 3dwc h LEU 49 N 0.47 -0.08 -0.32 1.46 6.46 -0.88 -0.57 115.31 121.86 3dwc h LEU 49 Ca 0.33 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 58.14 3dwc h LEU 49 Cb 0.39 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 3dwc h LEU 49 CO -0.30 -0.00 0.11 -0.74 -0.62 0.00 0.00 178.44 176.89 3dwc h HIS 50 N 0.15 0.51 -0.81 1.25 2.76 -0.93 0.42 115.15 118.48 3dwc h HIS 50 Ca 0.18 -0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3dwc h HIS 50 Cb 0.24 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 28.99 3dwc h HIS 50 CO -0.23 0.50 0.50 0.52 -1.30 0.00 0.00 177.93 177.92 3dwc h MET 51 N 0.37 0.89 -0.36 5.26 2.86 -1.00 0.34 114.93 123.29 3dwc h MET 51 Ca 0.11 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3dwc h MET 51 Cb 0.22 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3dwc h MET 51 CO -0.01 0.59 0.19 1.25 1.06 0.00 0.00 176.91 180.00 3dwc h HIS 52 N 0.92 0.50 -0.48 -0.22 6.17 -0.21 -1.95 115.15 119.87 3dwc h HIS 52 Ca 0.35 -0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.36 3dwc h HIS 52 Cb 0.16 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.91 3dwc h HIS 52 CO -0.04 0.40 0.06 -0.44 0.71 0.00 0.00 177.93 178.62 3dwc h ASP 53 N 0.46 0.70 0.08 3.26 3.32 -0.47 -1.72 116.42 122.06 3dwc h ASP 53 Ca 0.13 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dwc h ASP 53 Cb 0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3dwc h ASP 53 CO -0.02 0.74 -0.04 0.74 -1.72 0.00 0.00 179.24 178.94 3dwc h THR 54 N 0.71 1.04 0.00 0.35 2.02 -0.73 -2.28 112.91 114.02 3dwc h THR 54 Ca 0.15 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3dwc h THR 54 Cb 0.35 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3dwc h THR 54 CO 0.01 0.11 -0.20 -0.29 0.37 0.00 0.00 175.52 175.51 3dwc h ILE 55 N -0.31 0.42 -0.44 3.11 2.10 -1.34 -3.22 117.51 117.83 3dwc h ILE 55 Ca -0.01 -1.24 0.00 0.00 1.08 0.00 0.00 64.86 64.69 3dwc h ILE 55 Cb 0.27 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3dwc h ILE 55 CO 0.02 0.20 0.00 0.35 -1.08 0.00 0.00 178.15 177.64 3dwc n THR 56 N -3.25 0.57 -1.94 2.19 -2.24 -0.65 -4.82 114.28 104.14 3dwc n THR 56 Ca 0.01 -0.78 -0.38 0.00 -2.27 0.00 0.00 64.05 60.63 3dwc n THR 56 Cb 0.50 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.68 3dwc n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dwc s ALA 57 N -1.43 2.99 0.33 6.98 0.00 -0.86 -4.88 121.76 124.89 3dwc s ALA 57 Ca 0.40 1.25 0.13 0.00 0.00 0.00 0.00 51.96 53.74 3dwc s ALA 57 Cb 0.23 -3.52 1.02 0.00 0.00 0.00 0.00 23.12 20.86 3dwc s ALA 57 CO 0.32 -1.10 1.68 -1.35 0.00 0.00 0.00 175.76 175.31 3dwc h PRO 58 N 1.92 0.36 0.00 0.00 0.11 -1.93 -2.44 132.00 130.03 3dwc h PRO 58 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dwc h PRO 58 Cb 1.27 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dwc h PRO 58 CO 0.59 0.24 -0.01 1.57 -0.21 0.00 0.00 178.00 180.18 3dwc h LYS 59 N 0.38 0.00 0.04 1.05 2.10 -1.96 -2.88 116.57 115.29 3dwc h LYS 59 Ca 0.71 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.35 3dwc h LYS 59 Cb 1.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.87 3dwc h LYS 59 CO -0.58 0.01 -0.02 0.82 -2.00 0.00 0.00 179.45 177.68 3dwc h ILE 60 N 0.00 1.11 -0.43 0.07 1.08 -1.75 0.22 117.51 117.81 3dwc h ILE 60 Ca -0.00 -0.47 0.07 0.00 -0.39 0.00 0.00 64.86 64.06 3dwc h ILE 60 Cb 0.02 1.43 -0.06 0.00 -3.07 0.00 0.00 36.82 35.14 3dwc h ILE 60 CO 0.00 0.12 0.10 -0.09 -0.69 0.00 0.00 178.15 177.59 3dwc h ARG 61 N -0.25 0.23 -0.92 2.37 2.43 -1.66 0.19 114.38 116.75 3dwc h ARG 61 Ca -0.00 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3dwc h ARG 61 Cb 0.23 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3dwc h ARG 61 CO 0.01 0.15 0.61 0.00 -1.51 0.00 0.00 179.97 179.23 3dwc h ALA 62 N 1.32 1.36 -0.22 2.80 0.00 -1.44 -0.48 119.26 122.60 3dwc h ALA 62 Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dwc h ALA 62 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dwc h ALA 62 CO -0.26 0.59 0.02 -0.07 0.00 0.00 0.00 179.25 179.52 3dwc h LEU 63 N 1.23 0.37 -0.48 0.00 3.38 0.52 -1.45 115.31 118.88 3dwc h LEU 63 Ca 0.35 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3dwc h LEU 63 Cb -0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3dwc h LEU 63 CO -0.08 0.57 0.31 0.40 0.09 0.00 0.00 178.44 179.72 3dwc h ILE 64 N 0.16 1.10 -0.43 1.22 2.04 -0.36 -1.05 117.51 120.19 3dwc h ILE 64 Ca 0.06 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3dwc h ILE 64 Cb 0.37 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3dwc h ILE 64 CO 0.01 0.11 0.24 -0.33 0.00 0.00 0.00 178.15 178.19 3dwc h GLU 65 N 0.63 0.60 -0.83 2.37 5.08 -1.00 -1.20 114.58 120.23 3dwc h GLU 65 Ca 0.18 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3dwc h GLU 65 Cb -0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 3dwc h GLU 65 CO -0.05 0.47 0.44 0.93 -1.00 0.00 0.00 179.01 179.80 3dwc h GLU 66 N 0.57 1.16 -0.15 2.33 4.39 -1.03 -2.82 114.58 119.03 3dwc h GLU 66 Ca 0.15 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3dwc h GLU 66 Cb 0.04 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3dwc h GLU 66 CO -0.03 0.86 -0.25 0.00 -1.16 0.00 0.00 179.01 178.43 3dwc h ALA 67 N 1.24 1.30 0.00 3.43 0.00 -0.93 -3.09 119.26 121.21 3dwc h ALA 67 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3dwc h ALA 67 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dwc h ALA 67 CO -0.04 0.47 -0.29 0.93 0.00 0.00 0.00 179.25 180.32 3dwc h GLU 68 N 0.24 0.00 0.00 0.00 5.08 -0.98 -3.09 114.58 115.82 3dwc h GLU 68 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3dwc h GLU 68 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dwc h GLU 68 CO 0.04 0.29 -0.34 1.57 -1.00 0.00 0.00 179.01 179.57 3dwc h LYS 69 N 0.00 0.00 -0.68 2.33 2.10 -1.42 -3.27 116.57 115.63 3dwc h LYS 69 Ca -0.00 0.00 -0.40 0.00 -2.00 0.00 0.00 60.65 58.24 3dwc h LYS 69 Cb 1.14 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.24 3dwc h LYS 69 CO 0.04 0.34 0.17 -1.13 -2.00 0.00 0.00 179.45 176.87 3dwc n SER 70 N -3.40 4.05 -0.29 7.07 3.41 -1.17 -4.83 113.62 118.46 3dwc n SER 70 Ca 0.00 -3.75 0.02 0.00 -0.26 0.00 0.00 58.87 54.88 3dwc n SER 70 Cb 0.53 -0.71 0.15 0.00 -0.26 0.00 0.00 64.21 63.92 3dwc n SER 70 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3dwc h VAL 71 N 1.16 0.97 0.00 -3.33 2.07 -1.61 -1.40 116.25 114.10 3dwc h VAL 71 Ca 0.42 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3dwc h VAL 71 Cb 1.78 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3dwc h VAL 71 CO 0.84 0.16 0.00 0.61 0.02 0.00 0.00 177.57 179.19 3dwc n GLY 72 N -1.32 -1.01 0.22 2.17 0.00 -1.26 -2.06 105.19 101.93 3dwc n GLY 72 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3dwc n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dwc n ASP 73 N -1.51 0.63 -4.57 1.61 8.00 -0.53 -4.88 116.55 115.30 3dwc n ASP 73 Ca 0.04 -1.98 -0.28 0.00 0.71 0.00 0.00 54.79 53.27 3dwc n ASP 73 Cb 0.17 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.02 3.01 1.02 0.64 1.43 -0.87 -4.75 118.68 118.14 3dwc s LEU 74 Ca 0.09 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 3dwc s LEU 74 Cb 0.04 -1.75 0.20 0.00 0.03 0.00 0.00 46.19 44.72 3dwc s LEU 74 CO 0.06 0.14 1.07 -1.61 0.23 0.00 0.00 176.35 176.24 3dwc s GLU 75 N -2.52 0.22 0.11 1.70 2.02 -1.26 -4.73 118.70 114.23 3dwc s GLU 75 Ca 0.23 0.86 -0.20 0.00 0.02 0.00 0.00 54.97 55.88 3dwc s GLU 75 Cb -0.10 -1.69 -0.08 0.00 0.10 0.00 0.00 34.13 32.37 3dwc s GLU 75 CO 0.14 -2.96 1.71 -0.22 0.02 0.00 0.00 175.26 173.95 3dwc h LYS 76 N -2.07 0.28 0.00 1.61 3.64 -1.99 -0.58 116.57 117.46 3dwc h LYS 76 Ca -0.54 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.73 3dwc h LYS 76 Cb 1.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3dwc h LYS 76 CO 0.52 0.27 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.53 3dwc h LEU 77 N 0.22 0.00 -0.32 5.20 3.38 -1.96 -1.84 115.31 120.00 3dwc h LEU 77 Ca 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 3dwc h LEU 77 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dwc h LEU 77 CO -0.01 0.36 -0.49 1.56 0.09 0.00 0.00 178.44 179.96 3dwc h GLN 78 N 0.00 0.90 -0.64 1.13 4.20 -1.78 -0.34 115.11 118.58 3dwc h GLN 78 Ca -0.00 -0.54 0.02 0.00 0.06 0.00 0.00 58.65 58.19 3dwc h GLN 78 Cb 0.68 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 3dwc h GLN 78 CO 0.05 1.18 0.40 0.00 -0.67 0.00 0.00 178.83 179.79 3dwc h ARG 79 N 0.69 0.78 -0.65 1.46 3.08 -0.76 0.24 114.38 119.23 3dwc h ARG 79 Ca 0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3dwc h ARG 79 Cb 1.09 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3dwc h ARG 79 CO 0.11 0.52 0.15 0.00 -1.07 0.00 0.00 179.97 179.68 3dwc h ALA 80 N 1.26 1.04 -0.67 0.04 0.00 -1.22 -2.21 119.26 117.51 3dwc h ALA 80 Ca 0.25 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3dwc h ALA 80 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3dwc h ALA 80 CO -0.09 0.63 0.10 -0.97 0.00 0.00 0.00 179.25 178.93 3dwc h ASN 81 N 0.98 1.07 -0.84 0.00 -1.24 -0.40 -0.39 115.58 114.77 3dwc h ASN 81 Ca 0.21 -0.26 -0.03 0.00 0.71 0.00 0.00 56.30 56.92 3dwc h ASN 81 Cb 0.35 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 3dwc h ASN 81 CO 0.00 1.06 0.41 0.25 -1.29 0.00 0.00 177.43 177.86 3dwc h LEU 82 N 1.03 1.10 -0.61 0.34 5.85 -0.26 0.19 115.31 122.94 3dwc h LEU 82 Ca 0.20 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3dwc h LEU 82 Cb 0.45 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3dwc h LEU 82 CO 0.01 0.92 0.32 -0.09 -0.34 0.00 0.00 178.44 179.26 3dwc h ARG 83 N 1.20 0.57 -0.06 1.25 2.43 -0.88 -1.88 114.38 117.01 3dwc h ARG 83 Ca 0.29 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 3dwc h ARG 83 Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3dwc h ARG 83 CO -0.04 0.38 -0.61 0.93 -1.51 0.00 0.00 179.97 179.12 3dwc h GLU 84 N 0.59 0.20 -0.07 0.20 4.39 0.05 -2.26 114.58 117.68 3dwc h GLU 84 Ca 0.28 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 3dwc h GLU 84 Cb 0.20 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3dwc h GLU 84 CO -0.19 0.75 0.04 0.52 -1.16 0.00 0.00 179.01 178.96 3dwc h MET 85 N 0.15 0.09 -0.64 2.33 2.86 -0.45 -1.34 114.93 117.94 3dwc h MET 85 Ca -0.01 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3dwc h MET 85 Cb 1.10 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 3dwc h MET 85 CO 0.09 0.12 0.32 -0.09 1.06 0.00 0.00 176.91 178.42 3dwc h ARG 86 N 0.04 0.57 -0.07 1.72 2.43 -1.25 -0.67 114.38 117.15 3dwc h ARG 86 Ca 0.02 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3dwc h ARG 86 Cb 0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3dwc h ARG 86 CO -0.00 0.38 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.69 3dwc h ARG 87 N 0.59 -0.06 -0.97 0.20 2.43 -1.22 0.27 114.38 115.62 3dwc h ARG 87 Ca 0.30 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3dwc h ARG 87 Cb 0.24 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 3dwc h ARG 87 CO -0.21 -0.04 0.63 0.00 -1.51 0.00 0.00 179.97 178.83 3dwc h ALA 88 N 0.99 1.29 -0.31 2.80 0.00 -1.03 -1.15 119.26 121.85 3dwc h ALA 88 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3dwc h ALA 88 Cb 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3dwc h ALA 88 CO -0.11 0.65 -0.00 2.35 0.00 0.00 0.00 179.25 182.14 3dwc h TRP 89 N 1.31 0.60 -0.56 0.00 7.01 -0.71 -2.93 115.95 120.67 3dwc h TRP 89 Ca 0.35 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 61.22 3dwc h TRP 89 Cb -0.13 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.74 3dwc h TRP 89 CO 0.00 0.68 0.21 0.93 -2.79 0.00 0.00 178.44 177.47 3dwc h GLU 90 N 0.35 0.81 -0.09 2.65 5.08 -0.27 -0.43 114.58 122.68 3dwc h GLU 90 Ca 0.09 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3dwc h GLU 90 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3dwc h GLU 90 CO 0.02 0.68 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.49 3dwc h LEU 91 N 0.80 0.13 0.00 1.33 3.38 -1.04 -2.10 115.31 117.81 3dwc h LEU 91 Ca 0.19 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3dwc h LEU 91 Cb 0.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dwc h LEU 91 CO -0.02 0.29 -1.61 -0.62 0.09 0.00 0.00 178.44 176.57 3dwc n GLU 92 N -4.30 0.64 -0.02 1.13 -0.58 -1.02 -4.58 120.64 111.90 3dwc n GLU 92 Ca -0.01 0.01 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 3dwc n GLU 92 Cb 0.25 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.31 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 -2.58 0.24 0.17 1.62 5.15 -0.20 -4.36 115.26 115.30 3dwc n ASN 93 Ca -0.07 0.10 0.13 0.00 -0.60 0.00 0.00 54.58 54.14 3dwc n ASN 93 Cb 0.69 1.21 0.40 0.00 -0.53 0.00 0.00 39.78 41.56 3dwc n ASN 93 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3dwc h LEU 94 N 0.00 0.00 -8.97 1.20 4.07 -1.61 -3.42 115.31 106.58 3dwc h LEU 94 Ca -0.19 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.14 3dwc h LEU 94 Cb 1.48 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 43.07 3dwc h LEU 94 CO 0.02 0.00 -0.34 -0.76 -1.08 0.00 0.00 178.44 176.28 3dwc s LEU 95 N -5.25 4.05 0.51 1.67 1.43 -1.26 -4.72 118.68 115.12 3dwc s LEU 95 Ca 0.07 0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 53.16 3dwc s LEU 95 Cb 0.09 -2.32 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 3dwc s LEU 95 CO 0.57 -0.11 1.28 -2.84 0.23 0.00 0.00 176.35 175.48 3dwc s PRO 96 N 1.79 3.40 0.51 1.29 0.02 -1.26 -4.81 135.00 135.93 3dwc s PRO 96 Ca 0.12 2.06 0.16 0.00 0.02 0.00 0.00 61.00 63.36 3dwc s PRO 96 Cb -0.15 -2.33 1.22 0.00 0.02 0.00 0.00 34.50 33.26 3dwc s PRO 96 CO 0.09 -0.93 2.12 0.93 -0.33 0.00 0.00 177.00 178.89 3dwc h GLU 97 N 1.72 0.00 -0.23 5.54 5.08 -1.96 0.24 114.58 124.97 3dwc h GLU 97 Ca -0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3dwc h GLU 97 Cb 1.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3dwc h GLU 97 CO 0.58 0.03 0.15 1.49 -1.00 0.00 0.00 179.01 180.27 3dwc h GLU 98 N 0.00 0.30 -0.19 2.33 4.22 -2.00 -0.59 114.58 118.66 3dwc h GLU 98 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 3dwc h GLU 98 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dwc h GLU 98 CO 0.00 0.21 0.11 0.35 -2.18 0.00 0.00 179.01 177.50 3dwc h PHE 99 N 0.30 0.26 -0.17 0.92 3.57 -1.37 -2.48 116.94 117.98 3dwc h PHE 99 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3dwc h PHE 99 Cb -0.02 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3dwc h PHE 99 CO -0.06 0.23 -0.17 0.28 -2.23 0.00 0.00 178.31 176.36 3dwc h VAL 100 N 0.21 0.55 -0.69 1.41 2.07 -0.95 0.16 116.25 119.00 3dwc h VAL 100 Ca 0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3dwc h VAL 100 Cb 0.05 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3dwc h VAL 100 CO -0.01 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 177.48 3dwc h GLU 101 N -0.19 1.05 -0.61 1.57 4.39 -1.14 -1.01 114.58 118.64 3dwc h GLU 101 Ca 0.11 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3dwc h GLU 101 Cb 0.35 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3dwc h GLU 101 CO -0.28 0.88 0.33 -0.09 -1.16 0.00 0.00 179.01 178.69 3dwc h ARG 102 N 1.02 0.86 0.05 2.33 2.43 -0.95 -1.32 114.38 118.80 3dwc h ARG 102 Ca 0.23 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3dwc h ARG 102 Cb 0.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3dwc h ARG 102 CO -0.01 0.66 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.86 3dwc h LYS 103 N 0.83 -0.07 -0.80 0.20 3.64 -0.31 -1.72 116.57 118.34 3dwc h LYS 103 Ca 0.21 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.71 3dwc h LYS 103 Cb 0.05 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 3dwc h LYS 103 CO -0.03 0.06 0.42 1.15 -2.27 0.00 0.00 179.45 178.78 3dwc h THR 104 N -0.19 0.82 -0.14 1.00 2.02 -1.06 0.25 112.91 115.61 3dwc h THR 104 Ca -0.01 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3dwc h THR 104 Cb 0.16 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3dwc h THR 104 CO 0.01 0.12 -0.02 0.58 0.37 0.00 0.00 175.52 176.58 3dwc h VAL 105 N 0.68 1.28 -0.74 3.16 2.07 -1.14 -2.18 116.25 119.38 3dwc h VAL 105 Ca 0.41 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3dwc h VAL 105 Cb 0.47 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3dwc h VAL 105 CO -0.30 0.27 0.21 0.25 0.02 0.00 0.00 177.57 178.03 3dwc h LEU 106 N -0.03 1.09 -0.53 2.57 5.85 -0.68 -0.41 115.31 123.16 3dwc h LEU 106 Ca 0.04 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 3dwc h LEU 106 Cb 0.43 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3dwc h LEU 106 CO 0.01 1.02 -0.35 0.71 -0.34 0.00 0.00 178.44 179.49 3dwc h THR 107 N 1.10 1.28 -0.33 1.05 1.35 -0.48 1.54 112.91 118.42 3dwc h THR 107 Ca 0.23 -1.51 -0.10 0.00 -0.55 0.00 0.00 66.41 64.48 3dwc h THR 107 Cb 0.34 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 3dwc h THR 107 CO -0.00 0.50 -0.21 0.71 -0.25 0.00 0.00 175.52 176.27 3dwc h THR 108 N 0.67 1.26 0.36 6.82 1.35 -1.30 -1.00 112.91 121.07 3dwc h THR 108 Ca 0.06 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.65 3dwc h THR 108 Cb 0.90 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3dwc h THR 108 CO 0.08 0.41 -0.17 0.50 -0.25 0.00 0.00 175.52 176.09 3dwc h LYS 109 N 0.56 -0.47 -0.91 4.72 3.64 -0.65 -3.30 116.57 120.16 3dwc h LYS 109 Ca 0.08 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.70 3dwc h LYS 109 Cb 0.67 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.52 3dwc h LYS 109 CO 0.05 -0.15 0.60 0.00 -2.27 0.00 0.00 179.45 177.68 3dwc h ALA 110 N -0.41 2.19 0.52 5.00 0.00 0.23 -2.24 119.26 124.55 3dwc h ALA 110 Ca -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dwc h ALA 110 Cb 0.53 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dwc h ALA 110 CO 0.08 -0.48 -0.25 1.25 0.00 0.00 0.00 179.25 179.85 3dwc h HIS 111 N 0.42 -0.65 -0.82 0.00 -0.00 -1.26 0.17 115.15 113.00 3dwc h HIS 111 Ca 0.47 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.81 3dwc h HIS 111 Cb 1.16 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 28.75 3dwc h HIS 111 CO -0.00 -0.40 0.46 1.96 -0.00 0.00 0.00 177.93 179.94 3dwc h GLN 112 N -0.71 1.15 -0.25 5.26 4.20 -1.51 -0.44 115.11 122.81 3dwc h GLN 112 Ca -0.07 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 3dwc h GLN 112 Cb 0.54 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3dwc h GLN 112 CO 0.12 0.84 0.14 0.28 -0.67 0.00 0.00 178.83 179.54 3dwc h VAL 113 N 1.14 1.10 0.52 -0.54 2.07 -1.43 -2.92 116.25 116.19 3dwc h VAL 113 Ca 0.29 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3dwc h VAL 113 Cb 0.03 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3dwc h VAL 113 CO -0.05 0.10 -0.31 -0.25 0.02 0.00 0.00 177.57 177.09 3dwc h TRP 114 N 0.30 -0.80 -0.65 1.57 7.01 -0.60 -2.39 115.95 120.38 3dwc h TRP 114 Ca 0.09 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.22 3dwc h TRP 114 Cb 0.04 0.28 -0.11 0.00 -2.10 0.00 0.00 29.16 27.27 3dwc h TRP 114 CO -0.04 -0.47 0.04 -0.22 -2.79 0.00 0.00 178.44 174.95 3dwc h LYS 115 N -0.78 0.14 -0.04 2.65 3.64 -1.08 0.20 116.57 121.31 3dwc h LYS 115 Ca -0.06 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3dwc h LYS 115 Cb 0.63 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3dwc h LYS 115 CO 0.07 0.09 -0.17 1.15 -2.27 0.00 0.00 179.45 178.33 3dwc h THR 116 N 0.15 1.47 -0.49 1.00 2.02 -1.55 -2.54 112.91 112.97 3dwc h THR 116 Ca 0.35 -1.64 0.06 0.00 0.77 0.00 0.00 66.41 65.95 3dwc h THR 116 Cb 0.57 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 69.38 3dwc h THR 116 CO -0.53 0.45 0.20 0.00 0.37 0.00 0.00 175.52 176.01 3dwc h ARG 118 N 0.40 -0.24 0.00 0.00 2.43 -0.67 0.31 114.38 116.61 3dwc h ARG 118 Ca 0.23 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3dwc h ARG 118 Cb 0.20 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3dwc h ARG 118 CO -0.20 -0.16 -0.06 1.49 -1.51 0.00 0.00 179.97 179.52 3dwc h GLU 119 N -0.25 0.00 -0.02 0.20 4.81 -0.89 -2.62 114.58 115.81 3dwc h GLU 119 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3dwc h GLU 119 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3dwc h GLU 119 CO -0.42 0.06 -0.45 1.63 -0.73 0.00 0.00 179.01 179.10 3dwc n LYS 120 N -3.95 1.30 -2.79 1.92 5.02 -0.21 -5.00 118.16 114.45 3dwc n LYS 120 Ca -0.03 -1.03 -0.13 0.00 -2.02 0.00 0.00 58.31 55.10 3dwc n LYS 120 Cb 0.15 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3dwc n LYS 120 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dwc n ASN 121 N 0.04 -4.19 -4.00 4.39 5.15 0.94 -5.00 115.26 112.59 3dwc n ASN 121 Ca 0.09 -0.20 -0.32 0.00 -0.60 0.00 0.00 54.58 53.56 3dwc n ASN 121 Cb 0.47 -3.00 -0.11 0.00 -0.53 0.00 0.00 39.78 36.60 3dwc n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dwc s ASP 122 N -2.92 4.95 0.12 1.20 2.15 -0.32 -4.71 116.67 117.14 3dwc s ASP 122 Ca 0.21 -3.31 -0.11 0.00 0.43 0.00 0.00 52.55 49.77 3dwc s ASP 122 Cb -0.09 -1.74 -0.11 0.00 -0.30 0.00 0.00 42.92 40.68 3dwc s ASP 122 CO 0.26 -0.22 1.35 0.15 -0.17 0.00 0.00 175.17 176.54 3dwc h PHE 123 N 6.26 1.01 -0.94 -5.34 3.57 -1.95 -3.04 116.94 116.52 3dwc h PHE 123 Ca 0.03 -0.43 0.13 0.00 3.53 0.00 0.00 57.97 61.24 3dwc h PHE 123 Cb 0.86 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 3dwc h PHE 123 CO 0.65 1.25 0.60 0.00 -2.23 0.00 0.00 178.31 178.57 3dwc h ALA 124 N 0.64 1.70 0.00 2.41 0.00 -1.99 0.35 119.26 122.36 3dwc h ALA 124 Ca -0.04 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3dwc h ALA 124 Cb 1.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dwc h ALA 124 CO 0.15 0.05 -0.35 0.78 0.00 0.00 0.00 179.25 179.88 3dwc h GLY 125 N 0.81 0.00 1.55 0.00 0.00 -1.97 -3.23 103.07 100.23 3dwc h GLY 125 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.52 3dwc h GLY 125 CO -0.23 0.00 -1.31 -2.75 0.00 0.00 0.00 176.54 172.25 3dwc h PHE 126 N 0.00 0.45 -1.00 5.60 3.57 -0.96 -3.41 116.94 121.19 3dwc h PHE 126 Ca -0.00 -0.33 0.22 0.00 3.53 0.00 0.00 57.97 61.39 3dwc h PHE 126 Cb 0.85 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.46 3dwc h PHE 126 CO 0.00 1.29 0.61 1.25 -2.23 0.00 0.00 178.31 179.23 3dwc h LEU 127 N 0.07 0.70 -0.19 0.59 5.85 -0.42 -0.72 115.31 121.19 3dwc h LEU 127 Ca -0.16 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3dwc h LEU 127 Cb 1.97 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 3dwc h LEU 127 CO 0.19 0.19 0.09 -0.65 -0.34 0.00 0.00 178.44 177.92 3dwc h PRO 128 N 0.65 0.28 -0.04 5.25 0.11 -1.78 -0.14 132.00 136.33 3dwc h PRO 128 Ca 0.60 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.70 3dwc h PRO 128 Cb 1.09 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3dwc h PRO 128 CO -0.40 0.33 -0.24 1.15 -0.21 0.00 0.00 178.00 178.62 3dwc h THR 129 N 0.17 0.43 -0.67 -1.15 2.02 -1.46 -2.81 112.91 109.44 3dwc h THR 129 Ca 0.07 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.33 3dwc h THR 129 Cb 0.14 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 3dwc h THR 129 CO -0.01 0.00 0.33 0.25 0.37 0.00 0.00 175.52 176.46 3dwc h LEU 130 N -0.36 0.43 -1.24 2.58 7.12 -1.00 0.22 115.31 123.05 3dwc h LEU 130 Ca 0.07 0.06 0.13 0.00 0.13 0.00 0.00 57.88 58.27 3dwc h LEU 130 Cb 0.46 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.50 3dwc h LEU 130 CO -0.25 0.26 0.58 0.11 -0.13 0.00 0.00 178.44 179.01 3dwc h LYS 131 N 0.57 0.74 -0.02 1.25 1.57 -0.92 -1.31 116.57 118.45 3dwc h LYS 131 Ca 0.32 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.80 3dwc h LYS 131 Cb 0.32 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.48 3dwc h LYS 131 CO -0.25 0.49 -1.01 0.93 -0.57 0.00 0.00 179.45 179.03 3dwc h GLU 132 N 0.76 0.72 0.13 3.15 5.08 -0.38 -2.64 114.58 121.40 3dwc h GLU 132 Ca 0.44 -0.75 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3dwc h GLU 132 Cb 0.62 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3dwc h GLU 132 CO -0.20 1.32 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.74 3dwc h LEU 133 N 0.42 -0.92 -1.65 1.33 3.38 -0.82 0.27 115.31 117.31 3dwc h LEU 133 Ca -0.12 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3dwc h LEU 133 Cb 1.66 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 42.73 3dwc h LEU 133 CO 0.20 -0.41 0.32 0.40 0.09 0.00 0.00 178.44 179.04 3dwc h ILE 134 N -0.55 0.99 -0.05 1.22 1.08 -1.29 0.20 117.51 119.10 3dwc h ILE 134 Ca 0.03 -0.15 -0.21 0.00 -0.39 0.00 0.00 64.86 64.14 3dwc h ILE 134 Cb 0.58 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 3dwc h ILE 134 CO -0.18 0.08 -0.85 0.00 -0.69 0.00 0.00 178.15 176.51 3dwc h ALA 135 N 1.74 0.42 -0.38 1.87 0.00 -1.14 -2.34 119.26 119.43 3dwc h ALA 135 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3dwc h ALA 135 Cb 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3dwc h ALA 135 CO -0.05 0.77 0.12 1.25 0.00 0.00 0.00 179.25 181.33 3dwc h LEU 136 N 0.31 0.55 -0.55 0.00 7.12 0.66 -1.94 115.31 121.47 3dwc h LEU 136 Ca -0.06 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 3dwc h LEU 136 Cb 1.46 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 41.42 3dwc h LEU 136 CO 0.15 0.61 0.27 -0.26 -0.13 0.00 0.00 178.44 179.08 3dwc h PHE 137 N 0.47 0.78 -0.77 1.25 0.05 -0.71 0.78 116.94 118.78 3dwc h PHE 137 Ca 0.12 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 3dwc h PHE 137 Cb 0.25 -0.24 -0.04 0.00 2.00 0.00 0.00 35.95 37.92 3dwc h PHE 137 CO 0.01 0.60 0.45 0.00 -0.18 0.00 0.00 178.31 179.19 3dwc h ARG 138 N 0.74 1.05 -0.22 1.51 3.08 -1.40 0.13 114.38 119.27 3dwc h ARG 138 Ca 0.19 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 3dwc h ARG 138 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3dwc h ARG 138 CO -0.03 0.75 -0.60 1.49 -1.07 0.00 0.00 179.97 180.52 3dwc h GLU 139 N 1.07 0.80 0.03 0.04 4.81 -0.71 -2.98 114.58 117.64 3dwc h GLU 139 Ca 0.28 -0.56 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3dwc h GLU 139 Cb -0.02 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3dwc h GLU 139 CO -0.05 1.19 -0.10 1.49 -0.73 0.00 0.00 179.01 180.80 3dwc h GLU 140 N 0.55 -0.19 -0.65 1.92 4.81 1.00 -2.57 114.58 119.45 3dwc h GLU 140 Ca -0.01 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 3dwc h GLU 140 Cb 1.22 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.53 3dwc h GLU 140 CO 0.13 -0.12 -0.02 0.78 -0.73 0.00 0.00 179.01 179.04 3dwc h GLY 141 N -0.19 0.67 1.00 1.92 0.00 -0.77 -0.40 103.07 105.30 3dwc h GLY 141 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3dwc h GLY 141 CO -0.08 -0.23 0.31 0.50 0.00 0.00 0.00 176.54 177.04 3dwc h LYS 142 N 0.10 0.65 0.02 4.80 1.57 -1.36 0.43 116.57 122.78 3dwc h LYS 142 Ca 0.34 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3dwc h LYS 142 Cb 0.56 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3dwc h LYS 142 CO -0.58 0.45 -0.01 -0.07 -0.57 0.00 0.00 179.45 178.67 3dwc h LEU 143 N 0.66 -0.03 -0.98 2.94 4.07 -0.91 -2.45 115.31 118.60 3dwc h LEU 143 Ca 0.18 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.04 3dwc h LEU 143 Cb -0.05 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 3dwc h LEU 143 CO -0.04 0.01 -0.08 0.03 -1.08 0.00 0.00 178.44 177.29 3dwc h ARG 144 N -0.06 0.65 -0.68 1.13 3.08 -0.94 -2.25 114.38 115.32 3dwc h ARG 144 Ca -0.00 -0.19 0.13 0.00 0.07 0.00 0.00 59.98 59.99 3dwc h ARG 144 Cb 0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3dwc h ARG 144 CO 0.01 0.73 0.46 0.00 -1.07 0.00 0.00 179.97 180.09 3dwc h ALA 145 N 1.31 2.14 -0.79 0.04 0.00 0.16 -3.47 119.26 118.65 3dwc h ALA 145 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3dwc h ALA 145 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dwc h ALA 145 CO 0.03 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.37 3dwc n GLY 146 N -1.54 2.74 2.23 0.00 0.00 -0.85 -2.23 105.19 105.54 3dwc n GLY 146 Ca 0.12 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3dwc n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dwc n ASN 147 N 0.85 6.66 -0.08 1.61 5.03 -1.26 -4.50 115.26 123.56 3dwc n ASN 147 Ca 0.00 -3.63 -0.09 0.00 0.87 0.00 0.00 54.58 51.73 3dwc n ASN 147 Cb 0.00 -0.95 -0.16 0.00 -1.02 0.00 0.00 39.78 37.65 3dwc n ASN 147 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dwc n SER 148 N -0.79 0.11 0.00 6.41 3.41 -0.95 -5.00 113.62 116.81 3dwc n SER 148 Ca 0.57 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 3dwc n SER 148 Cb 0.86 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 3dwc n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwc n GLY 149 N 1.70 0.42 3.81 5.00 0.00 -1.26 -5.05 105.19 109.81 3dwc n GLY 149 Ca -0.29 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.43 4.28 0.22 1.61 1.02 -1.26 -5.02 119.74 118.15 3dwc s LYS 150 Ca 0.00 1.17 -0.31 0.00 0.02 0.00 0.00 55.97 56.85 3dwc s LYS 150 Cb 0.00 -2.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 3dwc s LYS 150 CO 0.00 0.01 1.57 -1.58 -0.92 0.00 0.00 175.35 174.44 3dwc s HIS 151 N -2.06 2.95 0.30 3.18 5.65 -1.26 -4.83 115.29 119.23 3dwc s HIS 151 Ca 0.60 0.70 0.02 0.00 0.25 0.00 0.00 55.06 56.63 3dwc s HIS 151 Cb -0.11 -3.98 0.75 0.00 -1.18 0.00 0.00 32.58 28.06 3dwc s HIS 151 CO 0.15 -3.46 1.59 -1.35 -0.65 0.00 0.00 174.74 171.03 3dwc h PRO 152 N 5.93 0.04 -0.71 2.88 0.10 -1.94 0.52 132.00 138.82 3dwc h PRO 152 Ca -0.44 -0.00 -0.05 0.00 0.10 0.00 0.00 66.00 65.60 3dwc h PRO 152 Cb 1.21 -0.01 -0.03 0.00 0.10 0.00 0.00 31.00 32.27 3dwc h PRO 152 CO 0.86 0.03 0.26 -0.92 0.10 0.00 0.00 178.00 178.33 3dwc h TYR 153 N 0.04 1.11 -0.70 0.65 3.20 -1.90 -1.85 116.97 117.51 3dwc h TYR 153 Ca 0.59 -0.10 0.06 0.00 3.14 0.00 0.00 58.73 62.42 3dwc h TYR 153 Cb 1.22 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 3dwc h TYR 153 CO -0.44 0.87 0.41 1.49 -1.64 0.00 0.00 178.16 178.85 3dwc h GLU 154 N 1.03 0.74 -0.36 1.82 4.81 -1.31 0.13 114.58 121.44 3dwc h GLU 154 Ca 0.23 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3dwc h GLU 154 Cb 0.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3dwc h GLU 154 CO -0.01 0.49 0.24 0.00 -0.73 0.00 0.00 179.01 179.00 3dwc h ALA 155 N 1.35 1.82 0.09 2.92 0.00 -0.61 -1.12 119.26 123.71 3dwc h ALA 155 Ca 0.31 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3dwc h ALA 155 Cb 0.16 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dwc h ALA 155 CO -0.17 0.15 -0.66 -0.07 0.00 0.00 0.00 179.25 178.49 3dwc h LEU 156 N 0.42 0.42 -1.44 0.00 3.38 -0.52 -3.26 115.31 114.31 3dwc h LEU 156 Ca 0.14 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 57.22 3dwc h LEU 156 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3dwc h LEU 156 CO -0.03 1.29 0.39 0.58 0.09 0.00 0.00 178.44 180.77 3dwc h VAL 157 N -0.38 1.11 -0.20 1.22 2.07 -0.58 -1.23 116.25 118.25 3dwc h VAL 157 Ca -0.11 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.21 3dwc h VAL 157 Cb 1.48 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3dwc h VAL 157 CO 0.13 0.14 0.22 -0.78 0.02 0.00 0.00 177.57 177.30 3dwc h ASP 158 N 0.75 0.00 -0.77 0.57 3.58 -1.25 0.11 116.42 119.41 3dwc h ASP 158 Ca 0.23 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.74 3dwc h ASP 158 Cb -0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 3dwc h ASP 158 CO -0.06 0.00 0.46 0.40 -2.88 0.00 0.00 179.24 177.16 3dwc h ILE 159 N 0.00 1.01 0.00 2.25 2.04 -1.28 -3.20 117.51 118.33 3dwc h ILE 159 Ca 0.10 -0.29 -0.23 0.00 1.00 0.00 0.00 64.86 65.44 3dwc h ILE 159 Cb 0.54 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3dwc h ILE 159 CO -0.00 0.15 -2.22 -1.22 0.00 0.00 0.00 178.15 174.86 3dwc n TYR 160 N -4.69 0.00 -3.40 1.37 4.01 -0.57 -4.74 117.16 109.14 3dwc n TYR 160 Ca 0.10 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 3dwc n TYR 160 Cb 0.17 -0.80 -0.09 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 -2.56 0.91 -1.65 -0.72 4.07 0.29 -1.82 120.64 119.17 3dwc n GLU 161 Ca -0.22 -3.58 -0.54 0.00 -0.06 0.00 0.00 57.16 52.77 3dwc n GLU 161 Cb 0.93 -1.68 -0.06 0.00 -0.06 0.00 0.00 31.44 30.57 3dwc n GLU 161 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3dwc n PRO 162 N 1.96 1.23 -0.68 5.31 -0.02 -1.21 -1.76 135.00 139.83 3dwc n PRO 162 Ca 0.25 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3dwc n PRO 162 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3dwc n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwc n GLY 163 N 3.35 0.98 3.69 -1.23 0.00 -1.26 -4.75 105.19 105.97 3dwc n GLY 163 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.26 4.41 0.18 1.61 0.00 -0.72 -5.04 119.30 119.48 3dwc s MET 164 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 55.69 57.26 3dwc s MET 164 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 34.83 31.28 3dwc s MET 164 CO 0.00 -0.33 0.35 0.95 0.00 0.00 0.00 175.02 175.99 3dwc s THR 165 N 1.85 5.25 0.44 10.11 -4.23 -1.26 -4.63 115.64 123.17 3dwc s THR 165 Ca 0.53 -0.46 0.12 0.00 -1.18 0.00 0.00 61.69 60.70 3dwc s THR 165 Cb -0.23 -3.73 0.20 0.00 1.34 0.00 0.00 72.50 70.08 3dwc s THR 165 CO 0.22 -0.14 2.01 -0.07 -0.54 0.00 0.00 174.62 176.10 3dwc h LEU 166 N 2.07 0.13 -0.04 4.79 4.07 -1.96 -1.00 115.31 123.37 3dwc h LEU 166 Ca -0.48 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.46 3dwc h LEU 166 Cb 1.19 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 3dwc h LEU 166 CO 0.68 0.23 0.03 -0.61 -1.08 0.00 0.00 178.44 177.69 3dwc h GLN 167 N 0.14 0.06 -0.35 1.13 4.15 -1.99 -0.14 115.11 118.12 3dwc h GLN 167 Ca 0.03 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3dwc h GLN 167 Cb 0.23 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3dwc h GLN 167 CO 0.01 0.09 -0.03 -0.09 -1.93 0.00 0.00 178.83 176.89 3dwc h ARG 168 N 0.01 0.63 -0.37 1.69 9.65 -1.92 -1.86 114.38 122.22 3dwc h ARG 168 Ca 0.02 -0.21 0.04 0.00 -1.10 0.00 0.00 59.98 58.72 3dwc h ARG 168 Cb 0.05 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 3dwc h ARG 168 CO -0.00 0.76 0.13 -0.07 2.80 0.00 0.00 179.97 183.59 3dwc h LEU 169 N 0.43 0.14 -1.24 3.80 3.38 -1.14 0.64 115.31 121.32 3dwc h LEU 169 Ca 0.09 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3dwc h LEU 169 Cb 0.50 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3dwc h LEU 169 CO 0.02 0.12 0.52 0.44 0.09 0.00 0.00 178.44 179.63 3dwc h ASP 170 N 0.28 0.88 -0.54 -0.43 3.45 -0.97 -1.45 116.42 117.64 3dwc h ASP 170 Ca 0.17 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.49 3dwc h ASP 170 Cb 0.14 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 3dwc h ASP 170 CO -0.17 0.62 -0.12 -0.33 -1.57 0.00 0.00 179.24 177.67 3dwc h GLU 171 N 1.02 1.04 -0.13 3.56 5.08 -0.65 -1.34 114.58 123.16 3dwc h GLU 171 Ca 0.30 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3dwc h GLU 171 Cb -0.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3dwc h GLU 171 CO -0.08 1.08 -0.00 0.82 -1.00 0.00 0.00 179.01 179.83 3dwc h ILE 172 N 0.92 1.26 -0.02 3.13 2.04 -0.63 -1.59 117.51 122.62 3dwc h ILE 172 Ca 0.14 -0.84 -0.19 0.00 1.00 0.00 0.00 64.86 64.97 3dwc h ILE 172 Cb 0.69 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3dwc h ILE 172 CO 0.05 0.24 -0.84 -0.26 0.00 0.00 0.00 178.15 177.35 3dwc h PHE 173 N -0.05 0.37 -0.82 1.37 0.04 -1.33 -1.81 116.94 114.72 3dwc h PHE 173 Ca 0.04 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.62 3dwc h PHE 173 Cb 0.38 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 3dwc h PHE 173 CO 0.04 0.98 0.52 0.78 -0.60 0.00 0.00 178.31 180.03 3dwc h GLY 174 N 1.64 1.17 0.96 -1.45 0.00 -1.29 0.78 103.07 104.88 3dwc h GLY 174 Ca -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3dwc h GLY 174 CO 0.13 0.44 -0.27 -0.57 0.00 0.00 0.00 176.54 176.28 3dwc h ASN 175 N 1.12 -0.63 -0.70 0.19 -0.73 -0.95 -2.15 115.58 111.73 3dwc h ASN 175 Ca 0.30 0.00 0.14 0.00 1.87 0.00 0.00 56.30 58.60 3dwc h ASN 175 Cb -0.10 0.16 -0.09 0.00 0.27 0.00 0.00 38.32 38.56 3dwc h ASN 175 CO -0.06 -0.42 0.22 0.58 -0.37 0.00 0.00 177.43 177.38 3dwc h VAL 176 N -0.79 0.62 0.00 2.57 2.07 -1.16 -2.06 116.25 117.50 3dwc h VAL 176 Ca -0.08 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3dwc h VAL 176 Cb 0.59 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3dwc h VAL 176 CO 0.12 0.06 -0.12 -0.09 0.02 0.00 0.00 177.57 177.57 3dwc h ARG 177 N 0.35 0.00 0.00 1.57 2.43 -0.66 -0.77 114.38 117.30 3dwc h ARG 177 Ca 0.38 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 3dwc h ARG 177 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3dwc h ARG 177 CO -0.42 0.12 -0.18 0.66 -1.51 0.00 0.00 179.97 178.64 3dwc h SER 178 N 0.00 0.00 0.00 -3.80 4.64 -0.69 -3.39 113.55 110.30 3dwc h SER 178 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dwc h SER 178 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3dwc h SER 178 CO 0.02 0.18 -0.59 -2.67 -0.87 0.00 0.00 176.83 172.90 3dwc n TRP 179 N -3.34 0.00 0.01 4.77 4.27 -1.01 -4.91 117.44 117.22 3dwc n TRP 179 Ca 0.00 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.44 3dwc n TRP 179 Cb 0.41 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.25 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 0.52 -0.90 5.67 5.85 -1.35 -1.62 115.31 123.48 3dwc h LEU 180 Ca 0.00 -0.78 0.14 0.00 0.84 0.00 0.00 57.88 58.08 3dwc h LEU 180 Cb 0.47 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 3dwc h LEU 180 CO 0.00 1.23 0.52 -0.65 -0.34 0.00 0.00 178.44 179.20 3dwc h PRO 181 N -0.13 0.75 0.00 5.25 0.11 -1.80 -0.67 132.00 135.50 3dwc h PRO 181 Ca -0.08 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.88 3dwc h PRO 181 Cb 1.34 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3dwc h PRO 181 CO 0.12 0.49 -0.51 0.93 -0.21 0.00 0.00 178.00 178.82 3dwc h GLU 182 N 0.77 0.00 -0.44 1.05 4.39 -1.90 -2.89 114.58 115.56 3dwc h GLU 182 Ca 0.48 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 60.07 3dwc h GLU 182 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3dwc h GLU 182 CO -0.32 0.51 -0.13 1.25 -1.16 0.00 0.00 179.01 179.16 3dwc h LEU 183 N 0.00 0.88 -0.16 1.33 5.85 -0.40 -0.83 115.31 121.98 3dwc h LEU 183 Ca -0.01 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.35 3dwc h LEU 183 Cb 1.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3dwc h LEU 183 CO 0.07 1.05 0.08 0.25 -0.34 0.00 0.00 178.44 179.54 3dwc h LEU 184 N 0.70 0.12 -0.94 2.25 5.85 -1.13 -0.79 115.31 121.37 3dwc h LEU 184 Ca 0.11 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3dwc h LEU 184 Cb 0.68 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3dwc h LEU 184 CO 0.05 0.09 0.36 0.11 -0.34 0.00 0.00 178.44 178.71 3dwc h LYS 185 N 0.17 1.13 -0.58 1.25 1.57 -1.36 0.00 116.57 118.74 3dwc h LYS 185 Ca 0.06 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3dwc h LYS 185 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3dwc h LYS 185 CO -0.04 0.87 0.14 1.49 -0.57 0.00 0.00 179.45 181.34 3dwc h GLU 186 N 1.11 0.94 -0.15 3.15 4.81 -0.84 -2.35 114.58 121.25 3dwc h GLU 186 Ca 0.27 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3dwc h GLU 186 Cb 0.13 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3dwc h GLU 186 CO -0.03 0.87 -0.00 0.28 -0.73 0.00 0.00 179.01 179.39 3dwc h VAL 187 N 0.85 1.26 -0.51 0.32 2.07 -0.60 -1.72 116.25 117.91 3dwc h VAL 187 Ca 0.18 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.94 3dwc h VAL 187 Cb 0.36 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 3dwc h VAL 187 CO 0.00 0.25 0.06 1.56 0.02 0.00 0.00 177.57 179.47 3dwc h GLN 188 N 0.00 0.18 -0.11 1.57 4.20 -0.98 -0.90 115.11 119.07 3dwc h GLN 188 Ca 0.04 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 3dwc h GLN 188 Cb 0.38 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3dwc h GLN 188 CO 0.01 0.12 -0.65 1.05 -0.67 0.00 0.00 178.83 178.69 3dwc h GLU 189 N 0.19 0.43 -0.43 1.46 4.11 -1.32 -1.00 114.58 118.01 3dwc h GLU 189 Ca 0.26 -0.31 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 3dwc h GLU 189 Cb 0.37 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3dwc h GLU 189 CO -0.37 0.93 0.26 -0.22 0.07 0.00 0.00 179.01 179.67 3dwc h LYS 190 N 0.31 0.58 -0.08 1.06 3.64 -1.06 -1.45 116.57 119.57 3dwc h LYS 190 Ca -0.01 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 3dwc h LYS 190 Cb 1.20 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 3dwc h LYS 190 CO 0.11 0.43 -0.49 1.96 -2.27 0.00 0.00 179.45 179.19 3dwc h GLN 191 N 0.57 0.21 -0.05 1.90 4.20 -0.97 -1.93 115.11 119.03 3dwc h GLN 191 Ca 0.15 -0.12 -0.24 0.00 0.06 0.00 0.00 58.65 58.51 3dwc h GLN 191 Cb -0.01 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.79 3dwc h GLN 191 CO -0.03 0.66 -0.91 -0.22 -0.67 0.00 0.00 178.83 177.66 3dwc h LYS 192 N 0.17 0.61 -0.30 1.46 3.64 -1.05 -2.59 116.57 118.52 3dwc h LYS 192 Ca 0.01 -0.59 -0.14 0.00 -1.27 0.00 0.00 60.65 58.65 3dwc h LYS 192 Cb 0.93 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3dwc h LYS 192 CO 0.07 1.21 -0.39 0.00 -2.27 0.00 0.00 179.45 178.07 3dwc h ALA 193 N 0.60 0.75 -0.42 5.00 0.00 -1.27 -3.23 119.26 120.69 3dwc h ALA 193 Ca -0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3dwc h ALA 193 Cb 1.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3dwc h ALA 193 CO 0.17 0.66 0.11 -0.07 0.00 0.00 0.00 179.25 180.12 3dwc h LEU 194 N 0.58 0.63 0.65 0.00 3.38 -1.35 -3.48 115.31 115.72 3dwc h LEU 194 Ca 0.05 -0.23 -0.40 0.00 0.09 0.00 0.00 57.88 57.40 3dwc h LEU 194 Cb 0.93 -0.17 0.07 0.00 0.09 0.00 0.00 40.66 41.59 3dwc h LEU 194 CO 0.08 0.69 -0.61 0.61 0.09 0.00 0.00 178.44 179.31 3dwc n GLY 195 N -0.61 -0.50 3.78 0.83 0.00 -0.98 -4.95 105.19 102.76 3dwc n GLY 195 Ca -0.00 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3dwc n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dwc s GLU 196 N -5.79 4.10 0.16 1.61 2.02 -1.26 -4.95 118.70 114.58 3dwc s GLU 196 Ca 0.35 2.59 -0.30 0.00 0.02 0.00 0.00 54.97 57.63 3dwc s GLU 196 Cb -0.15 -2.97 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 3dwc s GLU 196 CO 0.43 -0.56 1.31 0.99 0.02 0.00 0.00 175.26 177.45 3dwc s THR 197 N -1.00 3.34 -0.17 3.63 2.01 -1.26 -5.02 115.64 117.18 3dwc s THR 197 Ca 0.54 1.05 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 3dwc s THR 197 Cb -0.47 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.41 3dwc s THR 197 CO 0.62 0.13 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.92 3dwc s VAL 198 N 0.49 1.20 -0.26 3.82 1.01 -1.26 -5.00 120.40 120.40 3dwc s VAL 198 Ca 0.59 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 3dwc s VAL 198 Cb -0.36 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3dwc s VAL 198 CO 0.35 0.15 0.57 -0.76 0.00 0.00 0.00 175.10 175.42 3dwc s LEU 199 N 1.60 4.07 0.10 3.92 1.43 -1.26 -5.05 118.68 123.49 3dwc s LEU 199 Ca 0.01 0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 3dwc s LEU 199 Cb -0.15 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.25 3dwc s LEU 199 CO -0.08 -0.34 1.13 -1.61 0.23 0.00 0.00 176.35 175.67 3dwc s GLU 200 N 2.42 4.52 0.23 1.70 0.41 -1.26 -4.73 118.70 121.99 3dwc s GLU 200 Ca 0.24 1.70 -0.31 0.00 -0.41 0.00 0.00 54.97 56.18 3dwc s GLU 200 Cb -0.15 -3.33 -0.13 0.00 -1.78 0.00 0.00 34.13 28.73 3dwc s GLU 200 CO 0.09 -0.08 1.48 -2.30 -0.49 0.00 0.00 175.26 173.96 3dwc n PRO 201 N 3.24 2.19 -3.62 0.39 -0.02 -1.26 -4.82 135.00 131.10 3dwc n PRO 201 Ca 0.06 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 3dwc n PRO 201 Cb 0.47 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 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 -0.14 3.94 0.59 -0.52 1.02 -1.26 -5.00 119.74 118.36 3dwc s LYS 202 Ca 0.70 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 56.27 3dwc s LYS 202 Cb -0.62 -3.60 0.13 0.00 -0.52 0.00 0.00 37.83 33.22 3dwc s LYS 202 CO 0.47 -0.14 0.81 0.41 -0.92 0.00 0.00 175.35 175.97 3dwc n GLY 203 N 4.91 -1.06 3.77 -3.33 0.00 -1.26 -4.82 105.19 103.40 3dwc n GLY 203 Ca -0.14 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 -4.72 3.30 -0.38 1.61 0.04 -1.26 -5.08 135.00 128.51 3dwc s PRO 204 Ca 0.47 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.22 3dwc s PRO 204 Cb -0.01 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.56 3dwc s PRO 204 CO 0.32 -0.92 0.15 -0.06 0.04 0.00 0.00 177.00 176.54 3dwc s PHE 205 N -1.66 3.56 0.27 0.56 0.40 0.29 -5.03 117.98 116.38 3dwc s PHE 205 Ca 0.73 -2.39 -0.30 0.00 -0.60 0.00 0.00 56.93 54.36 3dwc s PHE 205 Cb -0.27 -3.01 -0.13 0.00 0.51 0.00 0.00 43.02 40.12 3dwc s PHE 205 CO 0.31 -0.94 1.43 -2.30 0.70 0.00 0.00 175.22 174.42 3dwc n PRO 206 N 4.56 2.22 0.07 0.24 -0.02 -1.26 -4.40 135.00 136.41 3dwc n PRO 206 Ca -0.03 0.79 0.03 0.00 -2.02 0.00 0.00 63.50 62.26 3dwc n PRO 206 Cb 0.42 -2.46 0.40 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.02 1.15 -0.68 -1.45 2.07 -1.95 -0.36 116.25 118.05 3dwc h VAL 207 Ca -0.46 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 3dwc h VAL 207 Cb 1.26 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3dwc h VAL 207 CO 0.74 0.19 0.21 0.77 0.02 0.00 0.00 177.57 179.50 3dwc h SER 208 N 0.37 0.98 0.27 0.57 4.64 -1.99 -1.10 113.55 117.28 3dwc h SER 208 Ca 0.09 -0.18 -0.19 0.00 -0.47 0.00 0.00 61.79 61.04 3dwc h SER 208 Cb 0.21 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3dwc h SER 208 CO 0.00 0.91 -0.76 0.11 -0.87 0.00 0.00 176.83 176.22 3dwc h LYS 209 N 1.01 0.41 -0.64 4.77 1.57 -1.56 -1.61 116.57 120.51 3dwc h LYS 209 Ca 0.22 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3dwc h LYS 209 Cb 0.29 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3dwc h LYS 209 CO -0.01 1.00 0.41 1.96 -0.57 0.00 0.00 179.45 182.24 3dwc h GLN 210 N 0.27 0.79 -0.39 3.15 4.20 -0.99 -0.48 115.11 121.66 3dwc h GLN 210 Ca -0.04 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 3dwc h GLN 210 Cb 1.35 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3dwc h GLN 210 CO 0.13 0.52 0.08 1.49 -0.67 0.00 0.00 178.83 180.39 3dwc h GLU 211 N 0.81 0.63 -0.82 1.46 4.81 -1.12 -0.82 114.58 119.53 3dwc h GLU 211 Ca 0.25 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3dwc h GLU 211 Cb -0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 3dwc h GLU 211 CO -0.09 0.67 0.50 0.00 -0.73 0.00 0.00 179.01 179.35 3dwc h ALA 212 N 0.93 1.04 -0.61 2.92 0.00 -1.04 -1.18 119.26 121.32 3dwc h ALA 212 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dwc h ALA 212 Cb 0.33 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3dwc h ALA 212 CO 0.00 0.50 0.30 1.25 0.00 0.00 0.00 179.25 181.30 3dwc h LEU 213 N 1.12 0.80 -0.17 0.00 5.85 -0.92 -1.02 115.31 120.96 3dwc h LEU 213 Ca 0.29 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dwc h LEU 213 Cb -0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3dwc h LEU 213 CO -0.06 0.70 0.11 0.00 -0.34 0.00 0.00 178.44 178.86 3dwc h ARG 215 N 0.23 0.84 -0.66 0.00 3.08 -1.11 0.63 114.38 117.38 3dwc h ARG 215 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dwc h ARG 215 Cb -0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3dwc h ARG 215 CO -0.01 0.62 0.42 0.35 -1.07 0.00 0.00 179.97 180.28 3dwc h PHE 216 N 0.85 0.86 -0.09 3.04 3.57 -0.74 -0.53 116.94 123.89 3dwc h PHE 216 Ca 0.22 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 3dwc h PHE 216 Cb 0.02 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3dwc h PHE 216 CO 0.01 0.56 -0.57 0.74 -2.23 0.00 0.00 178.31 176.81 3dwc h PHE 217 N 0.90 0.37 -0.80 0.41 0.04 -0.26 -0.95 116.94 116.64 3dwc h PHE 217 Ca 0.24 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.89 3dwc h PHE 217 Cb -0.07 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 37.98 3dwc h PHE 217 CO -0.02 0.79 0.53 0.52 -0.60 0.00 0.00 178.31 179.53 3dwc h MET 218 N 0.22 1.06 -0.78 1.51 2.86 -0.59 -0.67 114.93 118.54 3dwc h MET 218 Ca -0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 3dwc h MET 218 Cb 1.07 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 3dwc h MET 218 CO 0.09 0.70 0.35 -0.44 1.06 0.00 0.00 176.91 178.67 3dwc h ASP 219 N 1.09 1.04 -0.95 1.22 3.32 -0.34 -0.73 116.42 121.07 3dwc h ASP 219 Ca 0.29 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3dwc h ASP 219 Cb -0.13 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.10 3dwc h ASP 219 CO -0.06 0.90 0.62 0.58 -1.72 0.00 0.00 179.24 179.56 3dwc h VAL 220 N 1.12 1.17 -0.04 -1.35 2.07 -0.32 -0.61 116.25 118.29 3dwc h VAL 220 Ca 0.27 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3dwc h VAL 220 Cb 0.16 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3dwc h VAL 220 CO -0.03 0.22 0.00 0.79 0.02 0.00 0.00 177.57 178.57 3dwc n TRP 221 N -4.43 0.05 -3.05 1.57 8.01 -0.34 -4.55 117.44 114.70 3dwc n TRP 221 Ca 0.12 -0.03 -0.22 0.00 -1.31 0.00 0.00 57.50 56.07 3dwc n TRP 221 Cb 0.09 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.41 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 -0.50 -4.28 -1.64 -0.99 5.02 -0.24 -4.93 118.16 110.60 3dwc n LYS 222 Ca 0.11 0.80 -0.51 0.00 -2.02 0.00 0.00 58.31 56.69 3dwc n LYS 222 Cb 0.10 -5.61 -0.05 0.00 -0.02 0.00 0.00 35.03 29.45 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 -4.31 1.89 -2.63 2.13 7.35 -0.33 -4.92 117.46 116.65 3dwc n PHE 223 Ca -0.10 0.45 -0.42 0.00 -0.76 0.00 0.00 57.45 56.63 3dwc n PHE 223 Cb 0.60 -2.44 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 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 1.35 6.27 0.00 -2.13 2.15 -1.26 -4.80 116.67 118.25 3dwc s ASP 224 Ca 0.85 -0.33 0.25 0.00 0.43 0.00 0.00 52.55 53.75 3dwc s ASP 224 Cb -0.86 -2.53 1.12 0.00 -0.30 0.00 0.00 42.92 40.35 3dwc s ASP 224 CO 0.47 -1.62 1.80 0.49 -0.17 0.00 0.00 175.17 176.15 3dwc n PHE 225 N 8.68 0.00 1.71 -5.34 3.01 -1.26 -1.92 117.46 122.35 3dwc n PHE 225 Ca 0.04 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.64 3dwc n PHE 225 Cb 0.48 -0.43 0.69 0.00 -0.01 0.00 0.00 39.48 40.21 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 -1.43 0.83 -1.59 4.37 10.43 -1.26 -3.94 116.55 123.96 3dwc n ASP 226 Ca 0.08 -1.30 0.03 0.00 2.57 0.00 0.00 54.79 56.17 3dwc n ASP 226 Cb 0.26 -0.01 0.04 0.00 1.84 0.00 0.00 41.12 43.26 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 1.08 1.60 0.00 0.44 0.00 -0.81 -5.03 105.19 102.48 3dwc n GLY 227 Ca 0.21 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.18 -0.32 3.13 -0.02 0.00 -1.13 -1.39 105.19 105.63 3dwc n GLY 228 Ca 0.08 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 0.68 -0.11 1.61 0.52 -0.24 -4.67 118.95 114.74 3dwc s ARG 229 Ca 0.00 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 3dwc s ARG 229 Cb 0.00 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 3dwc s ARG 229 CO 0.00 -0.17 -0.16 -1.17 0.02 0.00 0.00 175.30 173.82 3dwc s LEU 230 N -2.76 2.58 0.00 2.53 2.96 -1.26 -1.92 118.68 120.81 3dwc s LEU 230 Ca 0.04 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 3dwc s LEU 230 Cb 0.05 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.19 3dwc s LEU 230 CO -0.09 0.20 0.00 0.47 -1.32 0.00 0.00 176.35 175.60 3dwc n ASP 231 N 3.30 0.00 -4.38 3.68 8.00 -0.72 -5.00 116.55 121.43 3dwc n ASP 231 Ca -0.18 -0.80 -0.33 0.00 0.71 0.00 0.00 54.79 54.19 3dwc n ASP 231 Cb 0.53 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.04 2.93 0.15 2.53 1.01 -1.26 -2.14 120.40 121.58 3dwc s VAL 232 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3dwc s VAL 232 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3dwc s VAL 232 CO 0.00 0.54 0.09 -0.94 0.00 0.00 0.00 175.10 174.79 3dwc s SER 233 N 0.09 0.25 0.31 3.32 1.04 -0.80 -4.60 113.70 113.31 3dwc s SER 233 Ca -0.06 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.13 3dwc s SER 233 Cb -0.15 0.33 0.49 0.00 0.10 0.00 0.00 66.02 66.79 3dwc s SER 233 CO 0.05 -0.77 1.90 0.00 0.98 0.00 0.00 173.24 175.40 3dwc h ALA 234 N 2.78 1.35 -3.13 5.32 0.00 -1.86 -3.38 119.26 120.34 3dwc h ALA 234 Ca -0.35 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 3dwc h ALA 234 Cb 1.21 -0.24 -0.35 0.00 0.00 0.00 0.00 17.79 18.42 3dwc h ALA 234 CO 0.57 0.50 -0.85 -1.01 0.00 0.00 0.00 179.25 178.45 3dwc s HIS 235 N -5.44 2.49 0.29 0.00 3.76 -1.26 -4.95 115.29 110.18 3dwc s HIS 235 Ca -0.10 -1.37 -0.30 0.00 -0.15 0.00 0.00 55.06 53.14 3dwc s HIS 235 Cb 0.16 -1.75 -0.12 0.00 1.11 0.00 0.00 32.58 31.99 3dwc s HIS 235 CO 0.79 -0.68 1.57 -0.35 -0.85 0.00 0.00 174.74 175.21 3dwc n PRO 236 N 4.48 2.64 -3.99 8.40 -0.04 -1.26 -4.83 135.00 140.40 3dwc n PRO 236 Ca -0.19 0.94 -0.09 0.00 -0.04 0.00 0.00 63.50 64.11 3dwc n PRO 236 Cb 0.51 -2.71 -0.05 0.00 -0.04 0.00 0.00 33.50 31.21 3dwc n PRO 236 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3dwc s PHE 237 N -0.06 0.32 -0.21 0.54 -0.12 -1.25 -4.97 117.98 112.22 3dwc s PHE 237 Ca 0.64 -0.69 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 3dwc s PHE 237 Cb -0.51 0.24 0.02 0.00 -0.63 0.00 0.00 43.02 42.15 3dwc s PHE 237 CO 0.49 -1.02 -0.14 0.00 -0.05 0.00 0.00 175.22 174.50 3dwc n GLY 239 N 4.62 4.92 7.00 0.00 0.00 0.13 -4.98 105.19 116.88 3dwc n GLY 239 Ca -0.19 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.51 1.61 5.15 -1.26 -1.69 115.26 114.56 3dwc n ASN 240 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 3dwc n ASN 240 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 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 3.74 0.41 1.20 0.01 -1.03 -4.91 113.70 109.12 3dwc s SER 241 Ca 0.00 -1.04 0.08 0.00 1.31 0.00 0.00 55.95 56.31 3dwc s SER 241 Cb 0.00 -0.37 0.88 0.00 0.21 0.00 0.00 66.02 66.74 3dwc s SER 241 CO 0.00 -0.04 2.03 0.11 0.41 0.00 0.00 173.24 175.75 3dwc h LYS 242 N 2.15 0.53 0.00 12.44 1.57 -1.91 0.34 116.57 131.69 3dwc h LYS 242 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3dwc h LYS 242 Cb 1.26 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3dwc h LYS 242 CO 0.63 0.35 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 3dwc n GLU 243 N -4.47 0.31 -2.75 3.15 4.71 -1.26 -4.36 120.64 115.97 3dwc n GLU 243 Ca 0.05 0.04 -0.06 0.00 -0.01 0.00 0.00 57.16 57.19 3dwc n GLU 243 Cb 0.15 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.11 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 -1.32 -3.02 -4.66 1.62 -0.08 0.06 -4.60 116.55 104.54 3dwc n ASP 244 Ca 0.11 -2.95 -0.39 0.00 -1.51 0.00 0.00 54.79 50.06 3dwc n ASP 244 Cb 0.23 1.70 -0.07 0.00 2.34 0.00 0.00 41.12 45.31 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 0.77 5.15 -0.19 5.18 1.01 -0.49 -2.47 120.40 129.36 3dwc s VAL 245 Ca 0.30 0.81 0.01 0.00 0.00 0.00 0.00 61.98 63.11 3dwc s VAL 245 Cb 0.12 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3dwc s VAL 245 CO -0.14 0.21 -0.11 -0.13 0.00 0.00 0.00 175.10 174.92 3dwc s ARG 246 N 1.52 2.11 0.19 2.72 0.52 -0.68 -1.08 118.95 124.24 3dwc s ARG 246 Ca 0.21 -0.79 0.07 0.00 -0.52 0.00 0.00 55.73 54.70 3dwc s ARG 246 Cb -0.15 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 3dwc s ARG 246 CO 0.09 -0.39 0.03 0.96 0.02 0.00 0.00 175.30 176.02 3dwc s ILE 247 N 1.41 3.86 0.29 1.52 -4.36 -0.81 0.19 121.20 123.30 3dwc s ILE 247 Ca 0.00 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 58.99 3dwc s ILE 247 Cb -0.16 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.53 3dwc s ILE 247 CO -0.09 -0.16 0.11 0.42 0.24 0.00 0.00 174.94 175.46 3dwc s THR 248 N -1.83 0.60 0.16 8.37 -4.23 -0.30 -1.75 115.64 116.67 3dwc s THR 248 Ca 0.29 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 3dwc s THR 248 Cb -0.09 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.17 3dwc s THR 248 CO 0.20 0.00 0.32 1.07 -0.54 0.00 0.00 174.62 175.67 3dwc n THR 249 N -0.57 0.00 -3.73 3.99 5.66 -0.91 -3.81 114.28 114.92 3dwc n THR 249 Ca -0.01 -0.44 -0.13 0.00 -3.05 0.00 0.00 64.05 60.42 3dwc n THR 249 Cb 0.66 0.42 -0.10 0.00 -1.55 0.00 0.00 70.33 69.76 3dwc n THR 249 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3dwc s LYS 250 N -2.07 0.52 -0.01 1.09 2.20 -1.26 -1.90 119.74 118.32 3dwc s LYS 250 Ca 0.07 0.50 0.08 0.00 -0.36 0.00 0.00 55.97 56.26 3dwc s LYS 250 Cb -0.02 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 3dwc s LYS 250 CO 0.05 -0.08 -0.25 0.71 -0.36 0.00 0.00 175.35 175.42 3dwc s TYR 251 N 0.03 2.36 -0.02 4.03 1.51 -1.26 -4.65 117.35 119.34 3dwc s TYR 251 Ca -0.02 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 3dwc s TYR 251 Cb -0.03 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 3dwc s TYR 251 CO 0.01 0.01 -0.19 -0.08 -1.11 0.00 0.00 175.55 174.19 3dwc s THR 252 N -0.66 1.55 0.49 -0.71 -1.32 -1.26 -5.04 115.64 108.68 3dwc s THR 252 Ca 0.11 -0.82 0.24 0.00 -1.21 0.00 0.00 61.69 60.00 3dwc s THR 252 Cb -0.10 -1.30 0.28 0.00 -1.51 0.00 0.00 72.50 69.88 3dwc s THR 252 CO -0.00 0.44 2.12 -0.33 -2.21 0.00 0.00 174.62 174.64 3dwc h GLU 253 N 5.83 0.00 0.00 7.08 5.08 -1.98 -3.23 114.58 127.36 3dwc h GLU 253 Ca -0.36 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 3dwc h GLU 253 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3dwc h GLU 253 CO 0.48 0.08 -0.39 1.79 -1.00 0.00 0.00 179.01 179.97 3dwc h THR 254 N 0.00 1.06 -3.32 1.13 1.35 -1.96 0.86 112.91 112.03 3dwc h THR 254 Ca -0.00 -1.45 -0.03 0.00 -0.55 0.00 0.00 66.41 64.38 3dwc h THR 254 Cb 0.19 1.83 -0.11 0.00 -1.73 0.00 0.00 68.15 68.34 3dwc h THR 254 CO 0.01 0.38 0.02 -1.83 -0.25 0.00 0.00 175.52 173.85 3dwc s GLU 255 N -3.84 1.33 -0.00 4.72 4.04 -1.22 -4.29 118.70 119.44 3dwc s GLU 255 Ca -0.01 -0.83 0.02 0.00 0.04 0.00 0.00 54.97 54.18 3dwc s GLU 255 Cb 0.13 0.51 -0.03 0.00 0.02 0.00 0.00 34.13 34.76 3dwc s GLU 255 CO 0.70 -0.56 0.07 1.97 -1.84 0.00 0.00 175.26 175.60 3dwc n PHE 256 N -0.32 0.00 -0.05 4.83 1.16 -1.26 -4.45 117.46 117.36 3dwc n PHE 256 Ca -0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.36 3dwc n PHE 256 Cb 0.63 -0.04 -0.05 0.00 -1.61 0.00 0.00 39.48 38.42 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 1.15 -0.62 1.97 2.07 -1.97 -1.02 116.25 117.83 3dwc h VAL 257 Ca 0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3dwc h VAL 257 Cb 0.09 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3dwc h VAL 257 CO 0.00 0.15 0.27 0.74 0.02 0.00 0.00 177.57 178.75 3dwc h THR 258 N 0.15 1.23 -0.21 2.57 2.02 -1.98 -0.32 112.91 116.37 3dwc h THR 258 Ca 0.06 -0.68 -0.21 0.00 0.77 0.00 0.00 66.41 66.36 3dwc h THR 258 Cb 0.16 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3dwc h THR 258 CO -0.01 0.27 -0.67 -1.28 0.37 0.00 0.00 175.52 174.20 3dwc h SER 259 N 0.86 0.95 0.37 4.18 0.87 -1.81 0.19 113.55 119.16 3dwc h SER 259 Ca 0.21 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 3dwc h SER 259 Cb 0.17 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3dwc h SER 259 CO -0.02 1.37 -0.18 0.25 -0.53 0.00 0.00 176.83 177.72 3dwc h LEU 260 N 0.60 -0.42 -1.13 2.23 6.46 -0.79 -1.06 115.31 121.20 3dwc h LEU 260 Ca -0.02 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 3dwc h LEU 260 Cb 1.29 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 3dwc h LEU 260 CO 0.14 -0.27 0.05 -0.07 -0.62 0.00 0.00 178.44 177.67 3dwc h LEU 261 N -0.53 0.62 -0.28 2.25 4.07 -1.13 -1.52 115.31 118.79 3dwc h LEU 261 Ca -0.05 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.82 3dwc h LEU 261 Cb 0.40 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 3dwc h LEU 261 CO 0.08 0.66 0.09 1.23 -1.08 0.00 0.00 178.44 179.42 3dwc h GLY 262 N 0.89 0.34 1.13 0.83 0.00 -0.90 -0.60 103.07 104.76 3dwc h GLY 262 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3dwc h GLY 262 CO 0.01 0.03 0.32 -2.08 0.00 0.00 0.00 176.54 174.82 3dwc h VAL 263 N 0.21 1.25 -0.17 4.60 2.07 -0.93 -1.80 116.25 121.48 3dwc h VAL 263 Ca 0.12 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3dwc h VAL 263 Cb 0.10 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3dwc h VAL 263 CO -0.13 0.31 0.10 0.40 0.02 0.00 0.00 177.57 178.27 3dwc h ILE 264 N 1.09 1.09 -0.24 4.57 2.04 -1.12 0.15 117.51 125.08 3dwc h ILE 264 Ca 0.26 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3dwc h ILE 264 Cb 0.17 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3dwc h ILE 264 CO -0.03 0.08 -0.22 -0.74 0.00 0.00 0.00 178.15 177.25 3dwc h HIS 265 N 0.19 -0.57 -0.15 1.37 2.76 -0.92 -0.63 115.15 117.19 3dwc h HIS 265 Ca 0.06 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.15 3dwc h HIS 265 Cb 0.05 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 3dwc h HIS 265 CO -0.05 -0.29 -0.43 0.93 -1.30 0.00 0.00 177.93 176.79 3dwc h GLU 266 N -0.22 0.36 -0.55 5.26 4.39 -1.08 -1.85 114.58 120.88 3dwc h GLU 266 Ca 0.14 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3dwc h GLU 266 Cb 0.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3dwc h GLU 266 CO -0.37 0.73 0.26 1.15 -1.16 0.00 0.00 179.01 179.62 3dwc h THR 267 N 0.30 1.18 -0.54 1.13 2.02 -0.41 0.07 112.91 116.66 3dwc h THR 267 Ca 0.02 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3dwc h THR 267 Cb 0.88 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3dwc h THR 267 CO 0.07 0.21 0.23 1.23 0.37 0.00 0.00 175.52 177.64 3dwc h GLY 268 N 0.87 0.86 0.66 2.16 0.00 -0.28 -0.71 103.07 106.62 3dwc h GLY 268 Ca 0.19 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.11 3dwc h GLY 268 CO -0.03 0.43 0.03 0.45 0.00 0.00 0.00 176.54 177.42 3dwc h HIS 269 N 0.73 0.05 -0.94 5.60 -0.00 -1.13 -3.18 115.15 116.29 3dwc h HIS 269 Ca 0.18 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.65 3dwc h HIS 269 Cb 0.17 0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.53 3dwc h HIS 269 CO 0.00 -0.00 0.59 0.00 -0.00 0.00 0.00 177.93 178.52 3dwc h ALA 270 N 1.20 1.33 -0.41 2.45 0.00 -0.41 -1.41 119.26 122.02 3dwc h ALA 270 Ca 0.12 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dwc h ALA 270 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3dwc h ALA 270 CO -0.18 0.30 0.02 0.87 0.00 0.00 0.00 179.25 180.26 3dwc h LYS 271 N 1.03 0.64 0.25 0.00 1.79 -1.13 0.24 116.57 119.39 3dwc h LYS 271 Ca 0.43 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 3dwc h LYS 271 Cb 0.26 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3dwc h LYS 271 CO -0.20 0.65 -0.12 -0.92 -1.08 0.00 0.00 179.45 177.78 3dwc h TYR 272 N 0.61 -0.31 -0.78 -1.35 3.20 -1.29 -2.52 116.97 114.53 3dwc h TYR 272 Ca 0.13 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3dwc h TYR 272 Cb 0.36 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 3dwc h TYR 272 CO 0.02 -0.07 0.47 0.93 -1.64 0.00 0.00 178.16 177.87 3dwc h GLU 273 N -0.51 0.84 0.00 1.82 4.39 -0.93 -0.73 114.58 119.46 3dwc h GLU 273 Ca -0.03 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 3dwc h GLU 273 Cb 0.38 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3dwc h GLU 273 CO 0.06 0.56 -0.08 1.96 -1.16 0.00 0.00 179.01 180.35 3dwc h GLN 274 N 0.87 0.00 -0.06 2.33 4.20 -0.52 -3.11 115.11 118.82 3dwc h GLN 274 Ca 0.34 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 3dwc h GLN 274 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3dwc h GLN 274 CO -0.17 0.08 -0.01 0.09 -0.67 0.00 0.00 178.83 178.15 3dwc n ASN 275 N -3.17 2.69 -4.67 1.46 3.02 -0.95 -4.99 115.26 108.64 3dwc n ASN 275 Ca 0.01 -3.09 -0.42 0.00 -0.03 0.00 0.00 54.58 51.05 3dwc n ASN 275 Cb 0.42 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 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 3.69 2.30 3.78 0.00 0.00 -0.64 -4.79 105.19 109.52 3dwc n GLY 277 Ca 0.14 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 3dwc n GLY 277 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwc s PRO 278 N -0.04 4.37 0.38 1.61 0.04 -1.19 -2.51 135.00 137.65 3dwc s PRO 278 Ca 0.00 1.49 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 3dwc s PRO 278 Cb 0.00 -2.71 -0.11 0.00 0.04 0.00 0.00 34.50 31.72 3dwc s PRO 278 CO 0.00 0.05 1.43 1.17 0.04 0.00 0.00 177.00 179.69 3dwc n LYS 279 N 0.30 2.50 -0.37 4.56 4.81 -1.26 -2.17 118.16 126.53 3dwc n LYS 279 Ca 0.03 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 3dwc n LYS 279 Cb 0.49 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.96 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 0.54 0.82 0.62 3.14 0.00 -1.26 -4.88 105.19 104.18 3dwc n GLY 280 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.14 1.61 3.01 -0.92 -4.92 117.46 114.10 3dwc n PHE 281 Ca 0.00 -1.30 0.04 0.00 1.01 0.00 0.00 57.45 57.20 3dwc n PHE 281 Cb 0.00 -0.22 0.34 0.00 -0.01 0.00 0.00 39.48 39.59 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 0.85 0.75 -0.61 -1.08 3.07 -1.90 -1.47 114.58 114.20 3dwc h GLU 282 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3dwc h GLU 282 Cb 1.10 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 3dwc h GLU 282 CO 0.01 0.50 0.00 0.25 -1.40 0.00 0.00 179.01 178.37 3dwc n THR 283 N -4.46 1.13 -4.27 1.13 -2.24 -1.26 -4.87 114.28 99.43 3dwc n THR 283 Ca 0.08 -0.86 -0.24 0.00 -2.27 0.00 0.00 64.05 60.76 3dwc n THR 283 Cb 0.12 0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.52 2.32 0.22 -0.78 -1.52 -0.55 -3.90 119.66 113.93 3dwc s GLN 284 Ca 0.40 -1.35 0.24 0.00 -1.95 0.00 0.00 55.36 52.70 3dwc s GLN 284 Cb 0.23 -2.21 0.92 0.00 -0.22 0.00 0.00 33.01 31.74 3dwc s GLN 284 CO 0.23 0.38 1.71 -0.35 -0.25 0.00 0.00 175.29 177.02 3dwc n PRO 285 N -0.73 0.19 0.19 2.91 -0.04 -1.26 -1.57 135.00 134.69 3dwc n PRO 285 Ca -0.07 0.35 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 3dwc n PRO 285 Cb 0.58 -1.81 0.33 0.00 -0.04 0.00 0.00 33.50 32.56 3dwc n PRO 285 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3dwc h VAL 286 N 0.00 0.79 -1.85 0.52 3.04 -1.86 -3.32 116.25 113.56 3dwc h VAL 286 Ca 0.00 -1.50 -0.77 0.00 -1.01 0.00 0.00 66.70 63.42 3dwc h VAL 286 Cb 0.45 1.95 -0.19 0.00 -2.01 0.00 0.00 31.29 31.48 3dwc h VAL 286 CO 0.00 0.34 1.65 0.00 -1.01 0.00 0.00 177.57 178.55 3dwc s MET 288 N -0.33 0.71 0.19 0.00 -1.94 -1.25 -4.80 119.30 111.88 3dwc s MET 288 Ca 0.38 -0.38 -0.31 0.00 -1.71 0.00 0.00 55.69 53.66 3dwc s MET 288 Cb 0.07 0.31 -0.16 0.00 2.01 0.00 0.00 34.83 37.06 3dwc s MET 288 CO 0.03 -0.21 0.88 0.00 -0.01 0.00 0.00 175.02 175.71 3dwc n ALA 289 N 0.94 -1.77 -0.05 3.03 0.00 -1.26 -1.85 120.51 119.55 3dwc n ALA 289 Ca -0.20 0.45 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 3dwc n ALA 289 Cb 0.58 -1.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 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 2.13 0.81 -2.52 0.00 9.65 -1.97 -3.44 114.38 119.04 3dwc h ARG 290 Ca -0.38 -0.57 0.15 0.00 -1.10 0.00 0.00 59.98 58.08 3dwc h ARG 290 Cb 1.39 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.99 3dwc h ARG 290 CO 0.62 1.19 0.43 -1.54 2.80 0.00 0.00 179.97 183.47 3dwc s SER 291 N -7.01 -0.17 0.26 -3.80 1.04 -1.26 -4.65 113.70 98.11 3dwc s SER 291 Ca -0.10 -0.51 0.08 0.00 0.48 0.00 0.00 55.95 55.90 3dwc s SER 291 Cb 0.10 0.56 0.32 0.00 0.10 0.00 0.00 66.02 67.10 3dwc s SER 291 CO 0.89 -1.04 1.60 -0.07 0.98 0.00 0.00 173.24 175.60 3dwc h LEU 292 N 2.00 0.10 -0.35 2.42 4.07 -1.73 0.12 115.31 121.95 3dwc h LEU 292 Ca -0.24 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.55 3dwc h LEU 292 Cb 1.23 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 3dwc h LEU 292 CO 0.26 0.68 -0.23 1.23 -1.08 0.00 0.00 178.44 179.31 3dwc h GLY 293 N 1.69 0.83 1.21 0.83 0.00 -1.79 0.96 103.07 106.81 3dwc h GLY 293 Ca -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 3dwc h GLY 293 CO 0.08 0.72 0.19 -2.08 0.00 0.00 0.00 176.54 175.45 3dwc h VAL 294 N 0.55 1.24 0.01 4.60 2.07 -1.85 0.12 116.25 123.00 3dwc h VAL 294 Ca 0.07 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3dwc h VAL 294 Cb 0.79 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3dwc h VAL 294 CO 0.06 0.33 -0.01 -0.74 0.02 0.00 0.00 177.57 177.24 3dwc h HIS 295 N 0.95 -0.02 0.00 1.57 6.17 -0.54 -2.26 115.15 121.02 3dwc h HIS 295 Ca 0.21 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.28 3dwc h HIS 295 Cb 0.29 0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.22 3dwc h HIS 295 CO 0.02 0.25 -0.05 1.49 0.71 0.00 0.00 177.93 180.36 3dwc h GLU 296 N -0.28 0.00 -0.42 5.26 4.57 -0.81 -0.47 114.58 122.43 3dwc h GLU 296 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3dwc h GLU 296 Cb 0.28 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3dwc h GLU 296 CO 0.00 0.05 -0.02 0.78 -1.18 0.00 0.00 179.01 178.64 3dwc h GLY 297 N 1.64 0.75 0.99 1.92 0.00 -0.41 -0.83 103.07 107.14 3dwc h GLY 297 Ca -0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 3dwc h GLY 297 CO 0.01 0.46 -0.46 1.46 0.00 0.00 0.00 176.54 178.00 3dwc h GLN 298 N 0.65 0.68 -0.59 4.80 1.08 -0.64 -1.28 115.11 119.80 3dwc h GLN 298 Ca 0.13 -0.46 -0.04 0.00 -1.45 0.00 0.00 58.65 56.84 3dwc h GLN 298 Cb 0.44 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 3dwc h GLN 298 CO 0.02 1.08 0.23 0.66 -0.95 0.00 0.00 178.83 179.87 3dwc h SER 299 N 0.38 0.82 1.50 1.46 4.64 -1.23 -2.88 113.55 118.26 3dwc h SER 299 Ca 0.00 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 61.05 3dwc h SER 299 Cb 1.07 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3dwc h SER 299 CO 0.10 0.77 -0.44 -0.07 -0.87 0.00 0.00 176.83 176.32 3dwc h LEU 300 N 0.83 0.00 -0.43 5.97 3.38 -1.23 0.32 115.31 124.14 3dwc h LEU 300 Ca 0.20 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3dwc h LEU 300 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3dwc h LEU 300 CO -0.02 0.44 0.25 0.15 0.09 0.00 0.00 178.44 179.35 3dwc h PHE 301 N 0.00 0.46 0.69 1.13 3.57 -1.19 0.36 116.94 121.96 3dwc h PHE 301 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3dwc h PHE 301 Cb 1.32 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.92 3dwc h PHE 301 CO 0.00 0.26 -0.33 0.00 -2.23 0.00 0.00 178.31 176.01 3dwc h ALA 302 N 1.20 -0.93 0.23 2.41 0.00 -1.27 -1.77 119.26 119.13 3dwc h ALA 302 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 302 Cb 0.03 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dwc h ALA 302 CO -0.09 -0.91 -0.11 1.49 0.00 0.00 0.00 179.25 179.63 3dwc h GLU 303 N -1.16 -0.29 0.04 0.00 4.81 -0.95 0.24 114.58 117.27 3dwc h GLU 303 Ca -0.09 0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.84 3dwc h GLU 303 Cb 0.74 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 3dwc h GLU 303 CO 0.16 -0.01 -1.72 -1.33 -0.73 0.00 0.00 179.01 175.38 3dwc n MET 304 N -5.11 0.64 0.06 1.92 2.81 0.12 -1.32 117.12 116.23 3dwc n MET 304 Ca -0.09 0.41 -0.10 0.00 -1.81 0.00 0.00 57.70 56.11 3dwc n MET 304 Cb 0.22 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.58 0.39 0.00 0.03 1.08 -1.02 -3.28 115.11 111.73 3dwc h GLN 305 Ca -0.43 -0.33 -0.05 0.00 -1.45 0.00 0.00 58.65 56.39 3dwc h GLN 305 Cb 1.62 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 29.12 3dwc h GLN 305 CO -0.12 0.98 -1.01 -0.89 -0.95 0.00 0.00 178.83 176.84 3dwc n ILE 306 N -3.81 1.43 -0.35 2.54 5.41 -0.70 -4.56 119.36 119.32 3dwc n ILE 306 Ca -0.04 0.12 0.14 0.00 1.00 0.00 0.00 62.75 63.97 3dwc n ILE 306 Cb 0.73 -2.17 0.34 0.00 -0.71 0.00 0.00 39.64 37.82 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 -0.83 1.77 -2.54 7.39 0.00 0.18 -1.91 103.07 107.13 3dwc h GLY 307 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3dwc h GLY 307 CO -0.04 -0.08 0.00 0.54 0.00 0.00 0.00 176.54 176.95 3dwc n ARG 308 N -4.77 2.73 -2.27 4.80 1.74 -0.44 -4.82 116.66 113.63 3dwc n ARG 308 Ca 0.24 -2.58 -0.33 0.00 -0.77 0.00 0.00 57.85 54.40 3dwc n ARG 308 Cb 0.60 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 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 -1.03 6.14 0.23 0.55 1.04 -0.72 -4.82 113.70 115.10 3dwc s SER 309 Ca 0.46 1.78 -0.07 0.00 0.48 0.00 0.00 55.95 58.60 3dwc s SER 309 Cb 0.24 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 64.11 3dwc s SER 309 CO 0.32 -0.92 1.84 1.23 0.98 0.00 0.00 173.24 176.69 3dwc h GLY 310 N 0.87 1.16 0.55 7.32 0.00 -1.89 -2.58 103.07 108.50 3dwc h GLY 310 Ca -0.48 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 46.59 3dwc h GLY 310 CO 0.59 0.24 0.32 0.00 0.00 0.00 0.00 176.54 177.68 3dwc h ALA 311 N 1.37 0.86 0.00 3.60 0.00 -1.92 -2.01 119.26 121.16 3dwc h ALA 311 Ca 0.34 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3dwc h ALA 311 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dwc h ALA 311 CO -0.16 -0.06 -0.35 0.35 0.00 0.00 0.00 179.25 179.03 3dwc h PHE 312 N 0.56 0.00 -0.27 0.00 3.57 -1.71 -2.47 116.94 116.62 3dwc h PHE 312 Ca 0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3dwc h PHE 312 Cb 0.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3dwc h PHE 312 CO -0.11 0.35 0.18 0.52 -2.23 0.00 0.00 178.31 177.02 3dwc h MET 313 N 0.00 0.35 -0.52 1.11 2.86 -0.98 0.40 114.93 118.15 3dwc h MET 313 Ca -0.00 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3dwc h MET 313 Cb 0.62 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3dwc h MET 313 CO 0.05 0.23 -0.01 0.93 1.06 0.00 0.00 176.91 179.17 3dwc h GLU 314 N 0.36 0.92 -0.31 1.72 5.08 -1.35 -0.98 114.58 120.03 3dwc h GLU 314 Ca 0.10 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3dwc h GLU 314 Cb -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3dwc h GLU 314 CO -0.02 0.95 -0.14 0.35 -1.00 0.00 0.00 179.01 179.15 3dwc h PHE 315 N 0.79 0.74 -0.13 4.33 3.57 -1.37 -3.39 116.94 121.49 3dwc h PHE 315 Ca 0.15 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 3dwc h PHE 315 Cb 0.54 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3dwc h PHE 315 CO 0.04 0.86 -0.00 1.25 -2.23 0.00 0.00 178.31 178.23 3dwc h LEU 316 N 0.41 0.23 -0.42 0.59 5.85 -0.06 -3.33 115.31 118.58 3dwc h LEU 316 Ca 0.07 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3dwc h LEU 316 Cb 0.66 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 3dwc h LEU 316 CO 0.04 0.48 -0.27 0.00 -0.34 0.00 0.00 178.44 178.36 3dwc h ALA 317 N 0.75 -0.03 0.00 1.25 0.00 -1.36 -0.35 119.26 119.52 3dwc h ALA 317 Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3dwc h ALA 317 Cb 0.37 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3dwc h ALA 317 CO 0.01 -0.64 -0.17 -1.35 0.00 0.00 0.00 179.25 177.09 3dwc h PRO 318 N -0.19 0.00 -0.09 0.00 0.11 -1.79 -1.23 132.00 128.82 3dwc h PRO 318 Ca 0.19 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 3dwc h PRO 318 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3dwc h PRO 318 CO -0.53 0.17 -0.32 0.00 -0.21 0.00 0.00 178.00 177.11 3dwc h ARG 319 N 0.00 0.18 -0.24 1.05 2.47 -1.23 -1.69 114.38 114.92 3dwc h ARG 319 Ca -0.00 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.51 3dwc h ARG 319 Cb 0.45 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3dwc h ARG 319 CO 0.02 0.49 -0.43 -0.07 0.56 0.00 0.00 179.97 180.53 3dwc h LEU 320 N 0.16 0.64 -0.29 3.04 3.38 -0.04 -0.99 115.31 121.20 3dwc h LEU 320 Ca 0.02 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3dwc h LEU 320 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3dwc h LEU 320 CO 0.05 0.99 0.07 0.58 0.09 0.00 0.00 178.44 180.22 3dwc h VAL 321 N 0.48 1.22 -0.63 1.22 2.07 -1.23 -1.50 116.25 117.87 3dwc h VAL 321 Ca 0.03 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3dwc h VAL 321 Cb 0.95 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3dwc h VAL 321 CO 0.09 0.24 0.37 -0.08 0.02 0.00 0.00 177.57 178.21 3dwc h GLU 322 N 0.31 0.87 0.03 1.57 4.81 -1.16 0.39 114.58 121.40 3dwc h GLU 322 Ca 0.09 -0.09 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 3dwc h GLU 322 Cb 0.29 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3dwc h GLU 322 CO 0.00 0.64 -1.53 1.88 -0.73 0.00 0.00 179.01 179.27 3dwc h TYR 323 N 0.86 0.13 0.00 0.92 0.05 -1.22 -3.40 116.97 114.31 3dwc h TYR 323 Ca 0.23 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3dwc h TYR 323 Cb -0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3dwc h TYR 323 CO -0.01 1.14 -0.79 1.19 -1.05 0.00 0.00 178.16 178.63 3dwc n PHE 324 N -3.23 0.00 0.00 4.88 3.72 -0.57 -4.92 117.46 117.34 3dwc n PHE 324 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3dwc n PHE 324 Cb 1.02 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 1.73 1.42 3.77 1.37 0.00 0.14 -5.02 105.19 108.60 3dwc n GLY 325 Ca -0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.50 6.47 0.13 1.61 3.68 -1.25 -4.51 116.67 122.30 3dwc s ASP 326 Ca 0.00 2.35 -0.21 0.00 2.13 0.00 0.00 52.55 56.82 3dwc s ASP 326 Cb 0.00 -2.61 0.05 0.00 -1.45 0.00 0.00 42.92 38.91 3dwc s ASP 326 CO 0.00 -0.71 0.52 0.00 0.13 0.00 0.00 175.17 175.10 3dwc s GLN 327 N -2.35 1.17 0.37 4.34 -2.07 -1.26 -5.07 119.66 114.78 3dwc s GLN 327 Ca 0.58 -0.51 0.10 0.00 -1.82 0.00 0.00 55.36 53.71 3dwc s GLN 327 Cb -0.31 0.53 0.87 0.00 -1.09 0.00 0.00 33.01 33.01 3dwc s GLN 327 CO 0.38 -0.48 1.88 -1.35 -1.32 0.00 0.00 175.29 174.40 3dwc h PRO 328 N 2.26 0.61 -0.15 9.60 0.11 -1.98 -1.51 132.00 140.94 3dwc h PRO 328 Ca -0.33 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.78 3dwc h PRO 328 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3dwc h PRO 328 CO 0.42 0.40 0.18 0.00 -0.21 0.00 0.00 178.00 178.79 3dwc h ALA 329 N 1.61 1.74 -0.61 -0.75 0.00 -1.88 -3.35 119.26 116.03 3dwc h ALA 329 Ca 0.43 -0.01 -0.74 0.00 0.00 0.00 0.00 54.91 54.60 3dwc h ALA 329 Cb 0.75 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 3dwc h ALA 329 CO -0.19 -0.26 2.53 1.19 0.00 0.00 0.00 179.25 182.53 3dwc n PHE 330 N -3.77 2.67 -4.35 0.00 3.72 -0.57 -4.04 117.46 111.12 3dwc n PHE 330 Ca 0.01 -2.85 -0.21 0.00 -0.05 0.00 0.00 57.45 54.34 3dwc n PHE 330 Cb 0.29 -1.96 -0.11 0.00 -0.94 0.00 0.00 39.48 36.76 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 -0.28 1.89 0.24 4.37 -4.23 -1.26 -4.75 115.64 111.62 3dwc s THR 331 Ca 0.52 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3dwc s THR 331 Cb 0.16 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 72.08 3dwc s THR 331 CO -0.07 -0.38 1.64 0.77 -0.54 0.00 0.00 174.62 176.04 3dwc h SER 332 N 2.99 0.62 -0.35 3.99 4.64 -1.90 -1.13 113.55 122.41 3dwc h SER 332 Ca -0.41 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 60.63 3dwc h SER 332 Cb 1.21 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3dwc h SER 332 CO 0.54 0.89 0.05 -1.28 -0.87 0.00 0.00 176.83 176.16 3dwc h SER 333 N 0.52 0.56 -0.41 4.97 0.87 -1.95 -2.21 113.55 115.89 3dwc h SER 333 Ca 0.06 -0.26 -0.14 0.00 -1.23 0.00 0.00 61.79 60.22 3dwc h SER 333 Cb 0.78 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3dwc h SER 333 CO 0.06 0.68 -0.30 -1.13 -0.53 0.00 0.00 176.83 175.62 3dwc h ASN 334 N 0.42 0.98 -0.13 6.23 -1.24 -1.80 -2.87 115.58 117.17 3dwc h ASN 334 Ca 0.11 -0.44 -0.07 0.00 0.71 0.00 0.00 56.30 56.61 3dwc h ASN 334 Cb 0.36 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3dwc h ASN 334 CO 0.01 1.21 -0.12 0.24 -1.29 0.00 0.00 177.43 177.47 3dwc h MET 335 N 0.76 0.47 -0.96 6.67 2.86 -1.22 -0.61 114.93 122.90 3dwc h MET 335 Ca 0.08 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3dwc h MET 335 Cb 0.88 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.43 3dwc h MET 335 CO 0.08 0.59 0.62 -0.22 1.06 0.00 0.00 176.91 179.05 3dwc h LYS 336 N 0.44 1.08 -0.38 1.72 3.64 -1.35 -0.47 116.57 121.25 3dwc h LYS 336 Ca 0.08 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 3dwc h LYS 336 Cb 0.48 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3dwc h LYS 336 CO 0.03 0.71 -0.32 0.00 -2.27 0.00 0.00 179.45 177.60 3dwc h ARG 337 N 1.11 0.84 0.34 1.90 3.08 -0.92 -0.58 114.38 120.15 3dwc h ARG 337 Ca 0.42 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3dwc h ARG 337 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3dwc h ARG 337 CO -0.16 1.03 -0.16 0.28 -1.07 0.00 0.00 179.97 179.89 3dwc h VAL 338 N 0.71 0.67 0.00 2.04 2.07 -1.11 -2.83 116.25 117.81 3dwc h VAL 338 Ca 0.08 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 3dwc h VAL 338 Cb 0.87 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3dwc h VAL 338 CO 0.08 0.08 -0.36 0.40 0.02 0.00 0.00 177.57 177.79 3dwc h ILE 339 N -0.69 1.03 -0.58 4.57 1.08 -1.03 -3.04 117.51 118.85 3dwc h ILE 339 Ca -0.05 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 3dwc h ILE 339 Cb 0.48 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 3dwc h ILE 339 CO 0.08 0.35 0.00 0.00 -0.69 0.00 0.00 178.15 177.89 3dwc n GLN 340 N -3.78 3.20 -1.93 2.37 6.02 -0.23 -4.94 117.38 118.09 3dwc n GLN 340 Ca -0.01 -2.65 -0.41 0.00 -0.01 0.00 0.00 57.00 53.92 3dwc n GLN 340 Cb 0.44 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 3dwc n GLN 340 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3dwc s ARG 341 N -1.50 4.21 -0.25 -1.09 3.52 -1.07 -4.98 118.95 117.80 3dwc s ARG 341 Ca 0.44 2.41 -0.05 0.00 -0.13 0.00 0.00 55.73 58.39 3dwc s ARG 341 Cb 0.26 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 3dwc s ARG 341 CO 0.24 -0.48 0.02 0.08 -0.81 0.00 0.00 175.30 174.35 3dwc s VAL 342 N -0.21 3.75 -0.31 7.11 1.01 -1.26 -4.85 120.40 125.63 3dwc s VAL 342 Ca 0.59 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3dwc s VAL 342 Cb -0.44 -2.79 0.16 0.00 0.00 0.00 0.00 36.38 33.31 3dwc s VAL 342 CO 0.47 0.30 0.40 -0.55 0.00 0.00 0.00 175.10 175.73 3dwc s SER 343 N 1.51 0.56 0.52 3.32 0.15 -1.26 -4.99 113.70 113.51 3dwc s SER 343 Ca 0.05 -0.67 -0.23 0.00 0.70 0.00 0.00 55.95 55.80 3dwc s SER 343 Cb -0.15 0.99 -0.06 0.00 -1.71 0.00 0.00 66.02 65.09 3dwc s SER 343 CO -0.00 -0.33 1.35 -2.84 1.20 0.00 0.00 173.24 172.62 3dwc s PRO 344 N 2.28 3.30 0.12 5.44 0.02 -1.26 -4.78 135.00 140.12 3dwc s PRO 344 Ca 0.11 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.34 3dwc s PRO 344 Cb -0.13 -2.35 0.01 0.00 0.02 0.00 0.00 34.50 32.05 3dwc s PRO 344 CO -0.24 -1.06 0.18 0.41 -0.33 0.00 0.00 177.00 175.96 3dwc n GLY 345 N 0.68 2.53 0.07 0.52 0.00 -1.26 -5.08 105.19 102.65 3dwc n GLY 345 Ca 0.09 -1.37 0.04 0.00 0.00 0.00 0.00 46.02 44.79 3dwc n GLY 345 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dwc n LEU 346 N 0.00 0.46 -4.45 0.99 4.77 -1.26 -4.84 117.00 112.67 3dwc n LEU 346 Ca -0.01 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.75 3dwc n LEU 346 Cb 0.19 0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 3dwc n LEU 346 CO 0.09 0.09 -0.12 -0.63 -1.33 0.00 0.00 177.39 175.49 3dwc s ILE 347 N -3.13 5.02 0.27 -0.08 -1.09 -1.26 -4.82 121.20 116.12 3dwc s ILE 347 Ca -0.05 -0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 57.67 3dwc s ILE 347 Cb 0.10 -3.74 0.44 0.00 -1.58 0.00 0.00 42.46 37.68 3dwc s ILE 347 CO 0.84 -0.20 1.55 -1.14 -1.23 0.00 0.00 174.94 174.75 3dwc n ARG 348 N 5.09 -0.10 0.14 2.79 0.63 -1.26 -1.71 116.66 122.24 3dwc n ARG 348 Ca -0.12 1.54 0.12 0.00 -0.92 0.00 0.00 57.85 58.48 3dwc n ARG 348 Cb 0.47 -2.31 0.50 0.00 0.45 0.00 0.00 32.46 31.57 3dwc n ARG 348 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3dwc n ILE 349 N -5.60 0.80 -0.67 5.15 -5.35 -1.26 -2.00 119.36 110.44 3dwc n ILE 349 Ca 0.15 0.19 0.09 0.00 -0.27 0.00 0.00 62.75 62.92 3dwc n ILE 349 Cb 0.49 -1.13 0.37 0.00 -1.74 0.00 0.00 39.64 37.62 3dwc n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3dwc n ASP 350 N -2.28 4.92 -4.82 7.28 8.00 -0.69 -5.01 116.55 123.95 3dwc n ASP 350 Ca 0.02 -2.51 -0.36 0.00 0.71 0.00 0.00 54.79 52.65 3dwc n ASP 350 Cb 0.25 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 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 -1.97 3.48 1.02 2.24 0.00 -0.85 -5.00 121.76 120.69 3dwc s ALA 351 Ca 0.52 0.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 3dwc s ALA 351 Cb 0.34 -2.70 0.22 0.00 0.00 0.00 0.00 23.12 20.98 3dwc s ALA 351 CO 0.24 0.38 1.25 0.16 0.00 0.00 0.00 175.76 177.79 3dwc s ASP 352 N -1.64 2.54 0.41 0.00 3.84 -1.26 -4.66 116.67 115.90 3dwc s ASP 352 Ca 0.40 0.41 0.07 0.00 -0.00 0.00 0.00 52.55 53.43 3dwc s ASP 352 Cb -0.16 -0.54 0.85 0.00 -1.38 0.00 0.00 42.92 41.68 3dwc s ASP 352 CO 0.20 -3.10 2.03 -0.08 -0.00 0.00 0.00 175.17 174.23 3dwc h GLU 353 N -1.89 0.49 0.22 2.11 4.81 -1.92 -1.88 114.58 116.52 3dwc h GLU 353 Ca -0.45 -0.04 -0.33 0.00 -0.13 0.00 0.00 59.36 58.41 3dwc h GLU 353 Cb 1.26 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 30.56 3dwc h GLU 353 CO 0.39 0.36 -1.52 1.25 -0.73 0.00 0.00 179.01 178.76 3dwc h LEU 354 N 0.50 0.72 0.08 1.64 5.85 -1.94 -3.37 115.31 118.79 3dwc h LEU 354 Ca 0.13 -0.84 -0.25 0.00 0.84 0.00 0.00 57.88 57.76 3dwc h LEU 354 Cb 0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3dwc h LEU 354 CO -0.02 1.67 -1.16 0.00 -0.34 0.00 0.00 178.44 178.59 3dwc h TYR 356 N 0.05 -0.99 -0.22 0.00 3.20 -1.50 -0.85 116.97 116.66 3dwc h TYR 356 Ca -0.09 0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3dwc h TYR 356 Cb 1.90 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 40.70 3dwc h TYR 356 CO 0.04 -0.39 0.16 -1.00 -1.64 0.00 0.00 178.16 175.33 3dwc h PRO 357 N -0.12 0.00 -0.63 1.82 0.13 -1.79 -0.83 132.00 130.58 3dwc h PRO 357 Ca 0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.34 3dwc h PRO 357 Cb 0.56 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 3dwc h PRO 357 CO -0.76 0.00 0.19 -0.07 -0.23 0.00 0.00 178.00 177.12 3dwc h LEU 358 N 0.00 0.90 -0.73 1.56 3.38 -1.39 0.36 115.31 119.39 3dwc h LEU 358 Ca 0.10 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3dwc h LEU 358 Cb 0.43 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3dwc h LEU 358 CO -0.00 0.85 0.12 0.45 0.09 0.00 0.00 178.44 179.94 3dwc h HIS 359 N 0.93 1.14 -0.04 1.13 3.86 -1.09 -2.21 115.15 118.87 3dwc h HIS 359 Ca 0.21 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3dwc h HIS 359 Cb 0.28 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 3dwc h HIS 359 CO 0.02 0.95 -0.05 0.28 0.86 0.00 0.00 177.93 180.00 3dwc h VAL 360 N 1.02 1.39 -0.38 2.45 2.07 -1.12 -2.83 116.25 118.86 3dwc h VAL 360 Ca 0.20 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.55 3dwc h VAL 360 Cb 0.42 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 3dwc h VAL 360 CO 0.01 0.34 -0.06 -0.03 0.02 0.00 0.00 177.57 177.85 3dwc h MET 361 N -0.38 0.03 -0.20 1.57 -1.53 -0.24 -0.18 114.93 114.01 3dwc h MET 361 Ca 0.01 -0.00 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 3dwc h MET 361 Cb 0.57 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 3dwc h MET 361 CO 0.01 0.02 0.13 1.37 0.14 0.00 0.00 176.91 178.59 3dwc h LEU 362 N 0.04 0.18 -0.18 3.39 8.10 -1.42 -1.97 115.31 123.44 3dwc h LEU 362 Ca 0.18 -0.00 -0.23 0.00 0.11 0.00 0.00 57.88 57.94 3dwc h LEU 362 Cb 0.27 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 3dwc h LEU 362 CO -0.36 0.13 -0.92 0.03 -4.11 0.00 0.00 178.44 173.21 3dwc h ARG 363 N 0.21 0.47 -0.11 0.17 3.08 -0.97 -2.86 114.38 114.37 3dwc h ARG 363 Ca 0.08 -0.48 0.04 0.00 0.07 0.00 0.00 59.98 59.69 3dwc h ARG 363 Cb 0.05 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3dwc h ARG 363 CO -0.02 1.12 -0.16 -0.92 -1.07 0.00 0.00 179.97 178.93 3dwc h TYR 364 N 0.27 -0.40 -0.44 3.04 5.03 -0.45 -1.37 116.97 122.66 3dwc h TYR 364 Ca -0.08 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 3dwc h TYR 364 Cb 1.55 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 40.00 3dwc h TYR 364 CO 0.06 -0.23 0.23 0.93 -1.32 0.00 0.00 178.16 177.84 3dwc h GLU 365 N -0.20 0.62 -0.03 1.82 5.08 -1.38 0.66 114.58 121.15 3dwc h GLU 365 Ca 0.09 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3dwc h GLU 365 Cb 0.33 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3dwc h GLU 365 CO -0.23 0.50 0.01 0.82 -1.00 0.00 0.00 179.01 179.11 3dwc h ILE 366 N 0.57 1.11 -0.24 3.13 2.04 -1.44 0.03 117.51 122.72 3dwc h ILE 366 Ca 0.15 -0.33 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3dwc h ILE 366 Cb 0.07 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3dwc h ILE 366 CO -0.02 0.09 -0.09 -0.33 0.00 0.00 0.00 178.15 177.80 3dwc h GLU 367 N -0.08 -0.04 -0.54 2.37 5.08 -0.76 0.75 114.58 121.36 3dwc h GLU 367 Ca 0.01 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3dwc h GLU 367 Cb 0.13 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 3dwc h GLU 367 CO -0.00 -0.03 0.22 -0.09 -1.00 0.00 0.00 179.01 178.11 3dwc h ARG 368 N -0.04 0.40 -0.10 2.33 2.43 -0.83 -2.30 114.38 116.28 3dwc h ARG 368 Ca 0.12 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 3dwc h ARG 368 Cb 0.22 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3dwc h ARG 368 CO -0.27 0.27 -0.51 -0.44 -1.51 0.00 0.00 179.97 177.50 3dwc h ASP 369 N 0.41 0.29 -0.03 -3.80 3.32 -0.19 -1.02 116.42 115.42 3dwc h ASP 369 Ca 0.26 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3dwc h ASP 369 Cb 0.26 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 3dwc h ASP 369 CO -0.24 0.76 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.94 3dwc h LEU 370 N 0.21 0.07 -0.91 1.55 3.38 -0.75 -0.76 115.31 118.10 3dwc h LEU 370 Ca 0.01 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.58 3dwc h LEU 370 Cb 0.98 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 3dwc h LEU 370 CO 0.08 0.55 0.56 -0.03 0.09 0.00 0.00 178.44 179.68 3dwc h MET 371 N -0.41 0.91 0.00 1.13 4.05 -1.38 -2.12 114.93 117.10 3dwc h MET 371 Ca 0.00 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3dwc h MET 371 Cb 0.53 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3dwc h MET 371 CO 0.01 0.60 -0.09 -0.44 0.23 0.00 0.00 176.91 177.22 3dwc h ASP 372 N 0.94 0.00 0.00 1.39 3.32 -1.16 -3.47 116.42 117.44 3dwc h ASP 372 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 3dwc h ASP 372 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3dwc h ASP 372 CO -0.23 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 177.99 3dwc n GLY 373 N -0.33 1.23 0.27 2.75 0.00 -0.80 -4.94 105.19 103.37 3dwc n GLY 373 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.16 -5.27 1.61 2.35 -1.39 -3.44 115.58 109.60 3dwc h ASN 374 Ca 0.00 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 3dwc h ASN 374 Cb 0.00 -0.04 -0.15 0.00 0.05 0.00 0.00 38.32 38.18 3dwc h ASN 374 CO 0.00 0.14 -0.66 0.27 -1.65 0.00 0.00 177.43 175.52 3dwc s ILE 375 N -5.17 0.21 0.17 2.81 -4.36 -1.04 -5.02 121.20 108.79 3dwc s ILE 375 Ca -0.06 -1.88 0.11 0.00 -0.26 0.00 0.00 60.65 58.56 3dwc s ILE 375 Cb 0.17 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 3dwc s ILE 375 CO 0.69 -0.67 -0.24 -1.61 0.24 0.00 0.00 174.94 173.36 3dwc s GLU 376 N -3.99 1.51 0.18 0.37 0.41 -1.26 -4.35 118.70 111.57 3dwc s GLU 376 Ca 0.18 -1.43 -0.02 0.00 -0.41 0.00 0.00 54.97 53.28 3dwc s GLU 376 Cb 0.07 -1.89 0.37 0.00 -1.78 0.00 0.00 34.13 30.91 3dwc s GLU 376 CO -0.02 0.42 0.96 0.00 -0.49 0.00 0.00 175.26 176.13 3dwc n ALA 377 N 0.51 0.23 -0.30 5.21 0.00 -1.26 0.54 120.51 125.43 3dwc n ALA 377 Ca -0.15 0.67 0.29 0.00 0.00 0.00 0.00 53.44 54.25 3dwc n ALA 377 Cb 0.55 -0.44 0.53 0.00 0.00 0.00 0.00 19.45 20.09 3dwc n ALA 377 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dwc n GLU 378 N -4.90 -0.06 0.00 0.00 4.71 -1.26 -1.52 120.64 117.61 3dwc n GLU 378 Ca 0.12 1.31 0.12 0.00 -0.01 0.00 0.00 57.16 58.70 3dwc n GLU 378 Cb 0.39 -2.33 0.19 0.00 -1.01 0.00 0.00 31.44 28.67 3dwc n GLU 378 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3dwc n GLU 379 N -5.16 1.23 -0.02 3.49 1.02 0.19 -4.55 120.64 116.84 3dwc n GLU 379 Ca 0.35 -0.91 -0.09 0.00 -0.02 0.00 0.00 57.16 56.49 3dwc n GLU 379 Cb 1.17 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 31.09 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 2.22 0.60 -0.64 2.62 2.07 -1.34 -1.80 116.25 119.98 3dwc h VAL 380 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3dwc h VAL 380 Cb 0.67 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 3dwc h VAL 380 CO 0.00 0.00 0.29 -0.65 0.02 0.00 0.00 177.57 177.23 3dwc h PRO 381 N -0.16 0.51 -0.02 1.57 0.11 -1.81 0.42 132.00 132.62 3dwc h PRO 381 Ca 0.10 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.20 3dwc h PRO 381 Cb 0.32 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3dwc h PRO 381 CO -0.26 0.34 -0.06 -0.09 -0.21 0.00 0.00 178.00 177.72 3dwc h ARG 382 N 0.52 -0.09 -0.06 1.05 1.12 -1.77 -1.64 114.38 113.51 3dwc h ARG 382 Ca 0.31 0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 59.03 3dwc h ARG 382 Cb 0.31 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 3dwc h ARG 382 CO -0.25 -0.06 -0.64 0.28 -3.11 0.00 0.00 179.97 176.18 3dwc h VAL 383 N -0.10 1.40 -0.41 0.20 2.07 -0.90 -1.45 116.25 117.06 3dwc h VAL 383 Ca 0.03 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.49 3dwc h VAL 383 Cb 0.14 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3dwc h VAL 383 CO -0.08 0.61 0.27 -0.25 0.02 0.00 0.00 177.57 178.14 3dwc h TRP 384 N 0.17 0.51 -0.48 1.57 2.91 -0.06 -1.80 115.95 118.77 3dwc h TRP 384 Ca -0.01 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 3dwc h TRP 384 Cb 1.16 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 3dwc h TRP 384 CO 0.02 0.32 0.15 -0.97 -1.03 0.00 0.00 178.44 176.93 3dwc h ASN 385 N 0.55 0.71 -0.16 2.65 -1.24 -1.13 -0.86 115.58 116.10 3dwc h ASN 385 Ca 0.15 -0.21 0.03 0.00 0.71 0.00 0.00 56.30 56.98 3dwc h ASN 385 Cb -0.06 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 3dwc h ASN 385 CO -0.03 0.73 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.46 3dwc h GLU 386 N 0.65 -0.02 -0.44 6.67 5.08 -1.09 -1.45 114.58 123.98 3dwc h GLU 386 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3dwc h GLU 386 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3dwc h GLU 386 CO -0.00 -0.01 -0.14 0.87 -1.00 0.00 0.00 179.01 178.72 3dwc h LYS 387 N -0.02 0.82 -0.27 2.33 1.57 -1.29 -1.52 116.57 118.20 3dwc h LYS 387 Ca 0.08 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3dwc h LYS 387 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3dwc h LYS 387 CO -0.18 0.92 0.02 0.52 -0.57 0.00 0.00 179.45 180.16 3dwc h MET 388 N 0.74 0.47 -0.71 3.15 2.86 -0.90 0.14 114.93 120.67 3dwc h MET 388 Ca 0.12 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3dwc h MET 388 Cb 0.65 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3dwc h MET 388 CO 0.05 0.61 0.39 0.87 1.06 0.00 0.00 176.91 179.88 3dwc h LYS 389 N 0.26 0.99 -0.14 1.72 1.57 0.00 -0.61 116.57 120.36 3dwc h LYS 389 Ca 0.08 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3dwc h LYS 389 Cb 0.39 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3dwc h LYS 389 CO 0.01 0.75 -0.26 1.03 -0.57 0.00 0.00 179.45 180.41 3dwc h SER 390 N 0.98 0.47 0.13 0.86 0.87 -0.87 -1.79 113.55 114.20 3dwc h SER 390 Ca 0.25 -0.54 -0.30 0.00 -1.23 0.00 0.00 61.79 59.97 3dwc h SER 390 Cb 0.04 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3dwc h SER 390 CO -0.04 0.93 -1.55 1.88 -0.53 0.00 0.00 176.83 177.52 3dwc h TYR 391 N 0.04 0.49 -0.01 2.24 0.05 -0.78 -3.41 116.97 115.59 3dwc h TYR 391 Ca 0.01 -0.36 0.00 0.00 0.05 0.00 0.00 58.73 58.43 3dwc h TYR 391 Cb 0.84 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3dwc h TYR 391 CO 0.10 1.61 -0.07 1.28 -1.05 0.00 0.00 178.16 180.02 3dwc n LEU 392 N -3.82 1.37 -0.99 3.88 4.77 -0.30 -4.70 117.00 117.22 3dwc n LEU 392 Ca -0.26 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 54.71 3dwc n LEU 392 Cb 0.95 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.99 3dwc n LEU 392 CO 0.43 0.28 -0.12 0.61 -1.33 0.00 0.00 177.39 177.25 3dwc n GLY 393 N 0.59 1.03 3.22 -0.72 0.00 -0.67 -4.90 105.19 103.74 3dwc n GLY 393 Ca 0.04 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.82 2.15 0.07 0.99 1.43 -1.08 -4.88 118.68 114.53 3dwc s LEU 394 Ca 0.00 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 3dwc s LEU 394 Cb 0.00 -0.89 -0.06 0.00 0.03 0.00 0.00 46.19 45.27 3dwc s LEU 394 CO 0.00 0.14 0.37 -1.61 0.23 0.00 0.00 176.35 175.49 3dwc s GLU 395 N -1.05 3.72 0.00 1.70 2.02 -1.26 -1.08 118.70 122.75 3dwc s GLU 395 Ca 0.06 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.17 3dwc s GLU 395 Cb -0.08 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.14 3dwc s GLU 395 CO 0.01 0.57 0.25 0.25 0.02 0.00 0.00 175.26 176.37 3dwc n THR 396 N 0.92 0.00 -1.69 3.63 -2.24 -1.26 -5.00 114.28 108.64 3dwc n THR 396 Ca -0.08 -0.34 -0.53 0.00 -2.27 0.00 0.00 64.05 60.82 3dwc n THR 396 Cb 0.52 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 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 -0.19 2.84 0.00 3.22 0.00 -1.26 0.68 117.00 122.29 3dwc n LEU 397 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 56.01 57.01 3dwc n LEU 397 Cb 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 43.42 42.23 3dwc n LEU 397 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 177.39 177.73 3dwc n GLY 398 N 4.41 1.26 2.52 -3.96 0.00 -1.26 -4.95 105.19 103.22 3dwc n GLY 398 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 4.06 0.11 1.61 2.85 0.21 -4.88 115.26 119.22 3dwc n ASN 399 Ca 0.00 -3.48 -0.03 0.00 -0.11 0.00 0.00 54.58 50.96 3dwc n ASN 399 Cb 0.00 -0.70 0.13 0.00 1.24 0.00 0.00 39.78 40.45 3dwc n ASN 399 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3dwc h ASP 400 N 4.09 0.12 -0.69 1.20 3.32 -1.84 0.34 116.42 122.96 3dwc h ASP 400 Ca 0.19 -0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.30 3dwc h ASP 400 Cb 0.63 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.02 3dwc h ASP 400 CO 0.87 0.73 -0.30 0.50 -1.72 0.00 0.00 179.24 179.31 3dwc h LYS 401 N 0.07 -0.09 -0.33 3.56 3.64 -1.85 0.10 116.57 121.67 3dwc h LYS 401 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dwc h LYS 401 Cb 1.15 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3dwc h LYS 401 CO 0.09 -0.06 0.00 0.39 -2.27 0.00 0.00 179.45 177.60 3dwc n GLU 402 N -5.46 2.44 0.00 1.90 1.02 -1.19 -3.13 120.64 116.23 3dwc n GLU 402 Ca 0.07 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 3dwc n GLU 402 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.47 0.59 0.29 0.62 0.00 0.10 -4.62 105.19 103.65 3dwc n GLY 403 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.38 3dwc n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwc n LEU 405 N -3.25 0.91 0.18 0.00 4.77 0.23 -4.45 117.00 115.39 3dwc n LEU 405 Ca -0.01 -0.27 0.02 0.00 -0.03 0.00 0.00 56.01 55.71 3dwc n LEU 405 Cb 0.21 -0.04 0.34 0.00 -2.33 0.00 0.00 43.42 41.60 3dwc n LEU 405 CO 0.26 0.16 0.71 0.06 -1.33 0.00 0.00 177.39 177.24 3dwc h GLN 406 N 1.38 0.02 -5.67 3.23 3.07 -1.43 -3.44 115.11 112.26 3dwc h GLN 406 Ca 0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 58.65 58.07 3dwc h GLN 406 Cb 0.35 -0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.80 3dwc h GLN 406 CO 0.00 0.40 -0.53 -0.51 0.09 0.00 0.00 178.83 178.28 3dwc s ASP 407 N -6.93 5.95 0.51 0.06 -0.00 -1.26 -5.00 116.67 110.01 3dwc s ASP 407 Ca -0.03 0.31 0.28 0.00 -0.00 0.00 0.00 52.55 53.12 3dwc s ASP 407 Cb 0.14 -1.88 1.37 0.00 -0.00 0.00 0.00 42.92 42.55 3dwc s ASP 407 CO 0.73 0.36 2.02 1.62 -0.00 0.00 0.00 175.17 179.90 3dwc h VAL 408 N 4.18 0.50 -0.75 -1.27 3.04 -1.97 -3.39 116.25 116.58 3dwc h VAL 408 Ca -0.51 -0.65 0.15 0.00 -1.01 0.00 0.00 66.70 64.69 3dwc h VAL 408 Cb 1.21 1.44 -0.14 0.00 -2.01 0.00 0.00 31.29 31.78 3dwc h VAL 408 CO 0.59 0.13 -0.18 0.45 -1.01 0.00 0.00 177.57 177.55 3dwc h HIS 409 N 0.00 -0.38 -0.09 3.17 3.86 -1.94 0.18 115.15 119.94 3dwc h HIS 409 Ca -0.00 0.07 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 3dwc h HIS 409 Cb 0.43 0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 3dwc h HIS 409 CO 0.00 -0.32 -0.49 -1.49 0.86 0.00 0.00 177.93 176.49 3dwc h TRP 410 N 0.00 0.28 -0.79 2.45 6.55 -1.75 -1.29 115.95 121.39 3dwc h TRP 410 Ca 0.36 -0.09 0.08 0.00 0.95 0.00 0.00 58.89 60.20 3dwc h TRP 410 Cb 0.56 -0.06 -0.07 0.00 -0.86 0.00 0.00 29.16 28.73 3dwc h TRP 410 CO -0.59 0.68 0.46 0.77 -1.05 0.00 0.00 178.44 178.70 3dwc h SER 411 N 0.18 0.67 -0.38 -3.49 0.02 -1.25 -2.74 113.55 106.56 3dwc h SER 411 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3dwc h SER 411 Cb 0.93 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3dwc h SER 411 CO 0.08 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 3dwc n GLY 412 N -1.31 2.04 2.93 -3.77 0.00 -0.96 -4.34 105.19 99.78 3dwc n GLY 412 Ca 0.12 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 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 0.62 -0.16 3.14 -0.02 0.00 -1.03 -4.99 105.19 102.75 3dwc n GLY 413 Ca 0.16 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.80 2.10 -0.04 1.61 -1.94 -0.53 -5.04 119.30 109.66 3dwc s MET 414 Ca 0.37 -1.78 0.04 0.00 -1.71 0.00 0.00 55.69 52.62 3dwc s MET 414 Cb -0.16 -3.62 -0.00 0.00 2.01 0.00 0.00 34.83 33.05 3dwc s MET 414 CO 0.46 -1.07 -0.18 0.12 -0.01 0.00 0.00 175.02 174.35 3dwc s PHE 415 N 1.18 1.75 0.00 -0.03 5.36 -1.26 -4.17 117.98 120.81 3dwc s PHE 415 Ca 0.07 -0.51 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 3dwc s PHE 415 Cb -0.23 -1.18 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3dwc s PHE 415 CO -0.03 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 3dwc n GLY 416 N 3.15 0.71 0.07 13.12 0.00 -1.26 -4.59 105.19 116.39 3dwc n GLY 416 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.85 1.61 5.03 -1.89 -3.40 116.97 117.47 3dwc h TYR 417 Ca 0.00 0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.50 3dwc h TYR 417 Cb 0.00 0.00 -0.15 0.00 1.55 0.00 0.00 36.73 38.13 3dwc h TYR 417 CO 0.00 0.88 -0.06 0.74 -1.32 0.00 0.00 178.16 178.40 3dwc h PHE 418 N -1.00 -0.18 -0.33 -3.82 0.04 -1.92 -1.34 116.94 108.38 3dwc h PHE 418 Ca -0.08 0.07 0.10 0.00 2.80 0.00 0.00 57.97 60.85 3dwc h PHE 418 Cb 0.87 0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 3dwc h PHE 418 CO 0.16 -0.33 0.33 -1.35 -0.60 0.00 0.00 178.31 176.52 3dwc h PRO 419 N 0.05 0.00 0.00 1.51 0.11 -1.87 -2.15 132.00 129.65 3dwc h PRO 419 Ca 0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.55 3dwc h PRO 419 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3dwc h PRO 419 CO -0.80 0.00 -0.09 1.79 -0.21 0.00 0.00 178.00 178.69 3dwc h THR 420 N 0.00 0.71 0.00 -1.15 1.35 -1.52 -2.36 112.91 109.95 3dwc h THR 420 Ca 0.16 -0.34 0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3dwc h THR 420 Cb 0.81 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3dwc h THR 420 CO -0.00 0.09 -0.05 1.88 -0.25 0.00 0.00 175.52 177.18 3dwc h TYR 421 N 0.00 -0.13 -0.08 4.73 0.05 -1.57 0.43 116.97 120.39 3dwc h TYR 421 Ca -0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 3dwc h TYR 421 Cb 0.20 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3dwc h TYR 421 CO 0.00 -0.09 -0.61 0.77 -1.05 0.00 0.00 178.16 177.19 3dwc h SER 422 N -0.10 0.33 -0.94 3.88 0.02 -1.64 -1.54 113.55 113.56 3dwc h SER 422 Ca 0.02 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3dwc h SER 422 Cb 0.12 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 3dwc h SER 422 CO -0.06 0.85 0.61 -0.07 -1.14 0.00 0.00 176.83 177.03 3dwc h LEU 423 N 0.21 0.97 -0.60 5.07 3.38 -1.28 -0.89 115.31 122.18 3dwc h LEU 423 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dwc h LEU 423 Cb 1.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3dwc h LEU 423 CO 0.10 0.64 0.39 1.23 0.09 0.00 0.00 178.44 180.88 3dwc h GLY 424 N 1.11 0.86 1.28 0.83 0.00 -0.25 -0.07 103.07 106.83 3dwc h GLY 424 Ca 0.39 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3dwc h GLY 424 CO -0.14 0.33 0.22 0.00 0.00 0.00 0.00 176.54 176.94 3dwc h ALA 425 N 1.21 1.23 -0.35 3.60 0.00 -0.66 -0.23 119.26 124.06 3dwc h ALA 425 Ca 0.22 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3dwc h ALA 425 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3dwc h ALA 425 CO -0.04 0.55 -0.31 0.52 0.00 0.00 0.00 179.25 179.97 3dwc h MET 426 N 0.89 0.82 -0.40 0.00 2.07 -0.86 -2.53 114.93 114.93 3dwc h MET 426 Ca 0.21 -0.42 0.04 0.00 -2.07 0.00 0.00 59.70 57.45 3dwc h MET 426 Cb 0.21 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.91 3dwc h MET 426 CO -0.01 1.06 0.17 0.28 1.07 0.00 0.00 176.91 179.48 3dwc h VAL 427 N 0.61 0.93 -0.69 -2.22 2.07 -0.74 -1.60 116.25 114.62 3dwc h VAL 427 Ca 0.06 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3dwc h VAL 427 Cb 0.89 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3dwc h VAL 427 CO 0.08 0.07 0.41 0.00 0.02 0.00 0.00 177.57 178.15 3dwc h ALA 428 N 1.23 0.91 -0.28 1.67 0.00 -0.99 -0.04 119.26 121.76 3dwc h ALA 428 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3dwc h ALA 428 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dwc h ALA 428 CO -0.15 0.15 -0.22 0.00 0.00 0.00 0.00 179.25 179.02 3dwc h ALA 429 N 1.32 0.40 -0.25 0.00 0.00 -1.28 -2.00 119.26 117.45 3dwc h ALA 429 Ca 0.29 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dwc h ALA 429 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dwc h ALA 429 CO -0.13 0.36 0.15 0.37 0.00 0.00 0.00 179.25 180.00 3dwc h GLN 430 N 0.37 0.34 -0.37 0.00 4.15 -1.07 -1.22 115.11 117.32 3dwc h GLN 430 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3dwc h GLN 430 Cb 0.78 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 3dwc h GLN 430 CO 0.06 0.26 0.22 1.25 -1.93 0.00 0.00 178.83 178.69 3dwc h LEU 431 N 0.32 0.44 -0.89 -2.39 6.46 -0.96 -2.60 115.31 115.69 3dwc h LEU 431 Ca 0.09 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 3dwc h LEU 431 Cb 0.01 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 3dwc h LEU 431 CO -0.02 0.38 0.06 -0.03 -0.62 0.00 0.00 178.44 178.21 3dwc h MET 432 N 0.47 0.88 -0.20 1.25 4.05 -1.32 -0.28 114.93 119.79 3dwc h MET 432 Ca 0.13 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3dwc h MET 432 Cb 0.02 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 3dwc h MET 432 CO -0.02 0.84 0.00 0.77 0.23 0.00 0.00 176.91 178.73 3dwc h SER 433 N 0.83 -0.07 -0.09 1.39 0.02 -1.09 -0.31 113.55 114.24 3dwc h SER 433 Ca 0.17 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3dwc h SER 433 Cb 0.40 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3dwc h SER 433 CO 0.01 -0.01 -0.05 0.00 -1.14 0.00 0.00 176.83 175.65 3dwc h VAL 435 N -0.04 0.96 -0.06 0.00 2.07 -0.75 0.18 116.25 118.59 3dwc h VAL 435 Ca 0.05 -0.33 -0.20 0.00 0.82 0.00 0.00 66.70 67.04 3dwc h VAL 435 Cb 0.12 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3dwc h VAL 435 CO -0.11 0.18 -0.78 0.03 0.02 0.00 0.00 177.57 176.90 3dwc h ARG 436 N 0.97 0.43 -0.32 1.57 3.08 -0.91 0.23 114.38 119.42 3dwc h ARG 436 Ca 0.45 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3dwc h ARG 436 Cb 0.37 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3dwc h ARG 436 CO -0.24 1.02 0.18 -0.09 -1.07 0.00 0.00 179.97 179.77 3dwc h ARG 437 N 0.28 0.35 -0.02 0.04 2.43 -0.89 0.23 114.38 116.80 3dwc h ARG 437 Ca -0.04 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 3dwc h ARG 437 Cb 1.37 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3dwc h ARG 437 CO 0.14 0.23 -0.28 0.93 -1.51 0.00 0.00 179.97 179.48 3dwc h GLU 438 N 0.36 0.22 0.00 0.20 5.08 -0.42 -3.36 114.58 116.67 3dwc h GLU 438 Ca 0.13 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 3dwc h GLU 438 Cb 0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3dwc h GLU 438 CO -0.07 0.91 -1.21 -0.07 -1.00 0.00 0.00 179.01 177.57 3dwc h LEU 439 N -0.38 0.00 0.00 1.33 4.07 -1.03 -3.51 115.31 115.79 3dwc h LEU 439 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3dwc h LEU 439 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3dwc h LEU 439 CO 0.06 0.70 0.00 0.61 -1.08 0.00 0.00 178.44 178.73 3dwc n GLY 440 N 1.38 2.48 0.15 0.83 0.00 0.80 -4.56 105.19 106.27 3dwc n GLY 440 Ca -0.07 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 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 0.43 -0.19 1.61 4.39 -1.92 -1.98 114.58 116.92 3dwc h GLU 441 Ca 0.00 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 3dwc h GLU 441 Cb 0.00 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3dwc h GLU 441 CO 0.00 0.42 -0.42 1.49 -1.16 0.00 0.00 179.01 179.34 3dwc h GLU 442 N 0.33 0.46 0.04 2.33 4.81 -1.92 -1.56 114.58 119.07 3dwc h GLU 442 Ca 0.10 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3dwc h GLU 442 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3dwc h GLU 442 CO -0.01 0.80 -0.02 0.28 -0.73 0.00 0.00 179.01 179.33 3dwc h VAL 443 N 0.38 1.07 -0.07 0.32 2.07 -1.75 0.03 116.25 118.31 3dwc h VAL 443 Ca 0.03 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3dwc h VAL 443 Cb 0.89 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3dwc h VAL 443 CO 0.08 0.09 -0.02 0.58 0.02 0.00 0.00 177.57 178.32 3dwc h VAL 444 N -0.22 0.91 -0.98 2.57 2.07 -1.28 -0.82 116.25 118.50 3dwc h VAL 444 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3dwc h VAL 444 Cb 0.20 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3dwc h VAL 444 CO 0.01 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.67 3dwc h ASP 445 N -0.01 0.94 -0.43 0.57 3.32 -1.18 -1.31 116.42 118.32 3dwc h ASP 445 Ca 0.04 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3dwc h ASP 445 Cb 0.07 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3dwc h ASP 445 CO -0.08 0.54 0.05 0.44 -1.72 0.00 0.00 179.24 178.48 3dwc h ASP 446 N 1.03 0.69 -0.32 6.45 3.32 -0.50 0.49 116.42 127.57 3dwc h ASP 446 Ca 0.46 -0.27 0.05 0.00 0.02 0.00 0.00 57.03 57.29 3dwc h ASP 446 Cb 0.37 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 3dwc h ASP 446 CO -0.22 0.79 0.05 0.00 -1.72 0.00 0.00 179.24 178.14 3dwc h ILE 448 N 0.15 0.73 0.00 0.00 2.04 -1.07 1.00 117.51 120.36 3dwc h ILE 448 Ca 0.15 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3dwc h ILE 448 Cb 0.18 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3dwc h ILE 448 CO -0.22 0.09 -0.15 0.08 0.00 0.00 0.00 178.15 177.95 3dwc h ARG 449 N -0.65 0.00 -0.04 2.37 0.11 -0.88 -1.10 114.38 114.20 3dwc h ARG 449 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3dwc h ARG 449 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3dwc h ARG 449 CO 0.07 0.15 0.00 1.63 0.10 0.00 0.00 179.97 181.92 3dwc n LYS 450 N -3.74 1.97 -2.99 0.08 5.02 -0.72 -3.19 118.16 114.60 3dwc n LYS 450 Ca -0.02 -1.42 -0.20 0.00 -2.02 0.00 0.00 58.31 54.66 3dwc n LYS 450 Cb 0.26 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 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 1.26 -0.39 2.87 0.72 0.00 -0.42 -4.95 105.19 104.29 3dwc n GLY 451 Ca 0.17 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3dwc n GLY 451 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dwc n ASP 452 N -2.09 3.72 -0.29 1.61 2.03 0.25 -4.93 116.55 116.85 3dwc n ASP 452 Ca -0.09 -3.25 0.13 0.00 0.52 0.00 0.00 54.79 52.10 3dwc n ASP 452 Cb 0.60 -0.85 0.43 0.00 -0.72 0.00 0.00 41.12 40.58 3dwc n ASP 452 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3dwc n LEU 453 N 1.78 1.09 -0.27 -2.67 4.77 -1.26 -4.48 117.00 115.96 3dwc n LEU 453 Ca 0.23 -0.30 0.17 0.00 -0.03 0.00 0.00 56.01 56.08 3dwc n LEU 453 Cb 0.37 -0.10 0.45 0.00 -2.33 0.00 0.00 43.42 41.81 3dwc n LEU 453 CO 0.35 0.20 1.22 1.23 -1.33 0.00 0.00 177.39 179.06 3dwc h GLY 454 N 4.91 1.10 1.67 -0.72 0.00 -1.93 0.67 103.07 108.78 3dwc h GLY 454 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 47.33 46.93 3dwc h GLY 454 CO 0.00 0.00 -0.66 0.50 0.00 0.00 0.00 176.54 176.38 3dwc h LYS 455 N 0.53 0.33 -0.00 4.80 1.57 -2.00 -0.27 116.57 121.53 3dwc h LYS 455 Ca 0.49 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dwc h LYS 455 Cb 1.04 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3dwc h LYS 455 CO -0.22 0.88 -0.00 0.82 -0.57 0.00 0.00 179.45 180.36 3dwc h ILE 456 N 0.24 1.48 -0.48 1.86 2.04 -1.27 -2.75 117.51 118.63 3dwc h ILE 456 Ca -0.02 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 3dwc h ILE 456 Cb 1.20 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 3dwc h ILE 456 CO 0.11 0.37 0.19 -0.07 0.00 0.00 0.00 178.15 178.74 3dwc h LEU 457 N -0.60 0.62 -0.79 1.44 3.38 -0.94 -1.94 115.31 116.47 3dwc h LEU 457 Ca -0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3dwc h LEU 457 Cb 0.60 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3dwc h LEU 457 CO 0.00 0.56 0.31 0.00 0.09 0.00 0.00 178.44 179.41 3dwc h ALA 458 N 1.53 1.03 -0.73 1.53 0.00 -1.04 -1.20 119.26 120.38 3dwc h ALA 458 Ca 0.16 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dwc h ALA 458 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3dwc h ALA 458 CO -0.02 0.66 0.30 0.87 0.00 0.00 0.00 179.25 181.06 3dwc h LYS 459 N 1.16 1.09 -0.72 0.00 1.79 -1.06 -0.88 116.57 117.94 3dwc h LYS 459 Ca 0.26 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3dwc h LYS 459 Cb 0.22 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 3dwc h LYS 459 CO -0.02 0.89 0.41 1.96 -1.08 0.00 0.00 179.45 181.60 3dwc h GLN 460 N 1.05 0.98 -0.12 3.15 4.20 -1.00 0.20 115.11 123.57 3dwc h GLN 460 Ca 0.24 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3dwc h GLN 460 Cb 0.20 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dwc h GLN 460 CO -0.02 0.71 -0.18 -0.97 -0.67 0.00 0.00 178.83 177.70 3dwc h ASN 461 N 0.99 0.36 -0.12 1.46 -1.24 -0.88 -0.43 115.58 115.73 3dwc h ASN 461 Ca 0.26 -0.53 -0.01 0.00 0.71 0.00 0.00 56.30 56.73 3dwc h ASN 461 Cb 0.00 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 3dwc h ASN 461 CO -0.04 0.82 0.04 -0.08 -1.29 0.00 0.00 177.43 176.87 3dwc h GLU 462 N -0.09 0.18 0.01 6.67 4.81 -1.07 -0.74 114.58 124.34 3dwc h GLU 462 Ca 0.01 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 3dwc h GLU 462 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 3dwc h GLU 462 CO 0.04 0.32 -0.92 0.87 -0.73 0.00 0.00 179.01 178.59 3dwc h LYS 463 N 0.00 0.28 0.00 1.92 1.57 -0.94 -3.43 116.57 115.97 3dwc h LYS 463 Ca 0.04 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3dwc h LYS 463 Cb 0.22 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3dwc h LYS 463 CO -0.00 1.03 0.00 -0.89 -0.57 0.00 0.00 179.45 179.01 3dwc n ILE 464 N -3.68 0.72 -0.32 1.86 2.08 -0.27 -4.65 119.36 115.10 3dwc n ILE 464 Ca -0.05 0.24 -0.04 0.00 0.56 0.00 0.00 62.75 63.46 3dwc n ILE 464 Cb 0.83 -1.18 0.09 0.00 -0.75 0.00 0.00 39.64 38.63 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 0.00 1.22 0.00 1.39 6.55 -1.06 -2.40 115.95 121.66 3dwc h TRP 465 Ca 0.00 -0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.80 3dwc h TRP 465 Cb 0.00 -0.39 0.00 0.00 -0.86 0.00 0.00 29.16 27.91 3dwc h TRP 465 CO 0.00 0.85 0.00 -0.56 -1.05 0.00 0.00 178.44 177.68 3dwc h GLN 466 N 1.24 0.00 0.00 0.49 3.07 -1.28 -1.69 115.11 116.95 3dwc h GLN 466 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.05 3dwc h GLN 466 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 3dwc h GLN 466 CO -0.05 0.00 -0.58 0.45 0.09 0.00 0.00 178.83 178.75 3dwc h HIS 467 N 0.00 0.00 0.00 0.06 3.86 -1.67 -3.16 115.15 114.24 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 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 3dwc h HIS 467 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3dwc n GLY 468 N 1.26 1.56 1.07 2.45 0.00 -1.04 -1.46 105.19 109.02 3dwc n GLY 468 Ca 0.03 0.39 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 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 2.50 2.58 0.11 1.61 7.64 0.52 -3.96 113.62 124.62 3dwc n SER 469 Ca 0.00 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.20 3dwc n SER 469 Cb 0.00 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.06 0.00 -3.25 6.43 4.64 -1.36 -3.44 113.55 117.63 3dwc h SER 470 Ca 0.18 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.86 3dwc h SER 470 Cb 1.58 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.55 3dwc h SER 470 CO 0.34 0.61 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.47 3dwc s LEU 471 N -6.39 3.34 0.65 5.97 1.43 -1.26 -4.82 118.68 117.59 3dwc s LEU 471 Ca 0.02 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 3dwc s LEU 471 Cb 0.08 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3dwc s LEU 471 CO 0.77 0.15 0.95 0.41 0.23 0.00 0.00 176.35 178.86 3dwc n THR 472 N 0.38 3.46 -0.17 5.49 -1.04 -1.26 -4.74 114.28 116.40 3dwc n THR 472 Ca -0.11 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.05 61.40 3dwc n THR 472 Cb 0.53 -1.12 0.06 0.00 -1.82 0.00 0.00 70.33 67.98 3dwc n THR 472 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3dwc h THR 473 N 0.19 0.92 -0.81 12.58 2.02 -1.94 0.17 112.91 126.05 3dwc h THR 473 Ca -0.48 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 66.56 3dwc h THR 473 Cb 1.36 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 3dwc h THR 473 CO 0.49 0.09 0.52 0.44 0.37 0.00 0.00 175.52 177.43 3dwc h ASP 474 N 0.48 0.88 -0.28 4.18 3.32 -1.93 -1.61 116.42 121.46 3dwc h ASP 474 Ca 0.24 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 3dwc h ASP 474 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3dwc h ASP 474 CO -0.18 0.61 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.52 3dwc h GLU 475 N 1.03 0.55 0.26 3.56 5.08 -1.76 -1.66 114.58 121.66 3dwc h GLU 475 Ca 0.31 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3dwc h GLU 475 Cb -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3dwc h GLU 475 CO -0.10 0.78 -0.16 1.25 -1.00 0.00 0.00 179.01 179.78 3dwc h LEU 476 N 0.30 -0.40 -0.98 1.33 5.85 -0.43 -0.10 115.31 120.89 3dwc h LEU 476 Ca 0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3dwc h LEU 476 Cb 0.59 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3dwc h LEU 476 CO 0.03 -0.26 0.23 -0.07 -0.34 0.00 0.00 178.44 178.03 3dwc h LEU 477 N -0.41 0.90 -0.26 2.25 3.38 -1.28 -0.01 115.31 119.88 3dwc h LEU 477 Ca -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3dwc h LEU 477 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dwc h LEU 477 CO 0.03 0.82 0.14 0.03 0.09 0.00 0.00 178.44 179.55 3dwc h ARG 478 N 0.95 0.36 -0.50 1.13 3.08 -0.97 0.17 114.38 118.59 3dwc h ARG 478 Ca 0.22 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3dwc h ARG 478 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3dwc h ARG 478 CO -0.01 0.33 -0.04 0.37 -1.07 0.00 0.00 179.97 179.55 3dwc h GLN 479 N 0.31 0.87 0.10 0.04 4.15 -0.74 -0.33 115.11 119.50 3dwc h GLN 479 Ca 0.09 -0.27 -0.28 0.00 0.77 0.00 0.00 58.65 58.97 3dwc h GLN 479 Cb 0.07 -0.09 0.02 0.00 0.21 0.00 0.00 27.48 27.69 3dwc h GLN 479 CO -0.01 0.89 -1.18 0.00 -1.93 0.00 0.00 178.83 176.60 3dwc h ALA 480 N 1.15 0.10 0.00 3.38 0.00 -0.85 -3.40 119.26 119.65 3dwc h ALA 480 Ca 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3dwc h ALA 480 Cb 0.53 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3dwc h ALA 480 CO 0.03 0.79 0.00 0.25 0.00 0.00 0.00 179.25 180.32 3dwc n THR 481 N -3.71 0.00 0.00 0.00 -2.24 0.57 -4.99 114.28 103.91 3dwc n THR 481 Ca -0.11 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3dwc n THR 481 Cb 0.96 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 70.60 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 0.13 0.58 3.71 3.38 0.00 -0.14 -4.95 105.19 107.91 3dwc n GLY 482 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.96 1.62 1.08 1.61 -1.05 -1.25 -4.88 118.70 114.87 3dwc s GLU 483 Ca 0.00 -0.90 -0.14 0.00 -0.15 0.00 0.00 54.97 53.78 3dwc s GLU 483 Cb 0.00 0.58 0.23 0.00 -0.44 0.00 0.00 34.13 34.50 3dwc s GLU 483 CO 0.00 -0.72 1.08 -0.08 0.95 0.00 0.00 175.26 176.49 3dwc s THR 484 N -3.89 1.90 0.06 1.83 -1.32 -1.26 -2.48 115.64 110.48 3dwc s THR 484 Ca 0.10 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.25 3dwc s THR 484 Cb -0.04 -2.43 -0.11 0.00 -1.51 0.00 0.00 72.50 68.41 3dwc s THR 484 CO 0.02 0.00 1.82 -0.11 -2.21 0.00 0.00 174.62 174.14 3dwc n LEU 485 N -4.46 3.70 -3.87 9.08 7.94 -1.26 -4.93 117.00 123.20 3dwc n LEU 485 Ca 0.06 0.99 -0.28 0.00 -1.11 0.00 0.00 56.01 55.67 3dwc n LEU 485 Cb 0.58 -1.47 -0.16 0.00 0.53 0.00 0.00 43.42 42.89 3dwc n LEU 485 CO 0.55 0.02 -0.41 0.21 -1.11 0.00 0.00 177.39 176.65 3dwc s ASN 486 N 2.99 2.97 0.00 1.96 3.84 -1.26 -5.04 114.94 120.41 3dwc s ASN 486 Ca 0.85 -0.75 0.14 0.00 0.21 0.00 0.00 52.86 53.31 3dwc s ASN 486 Cb -0.58 -0.90 0.69 0.00 -0.55 0.00 0.00 41.25 39.91 3dwc s ASN 486 CO 0.42 -0.21 1.35 -0.81 -2.79 0.00 0.00 177.10 175.07 3dwc n PRO 487 N 4.87 0.20 0.09 0.43 -0.04 -1.26 -3.31 135.00 135.98 3dwc n PRO 487 Ca -0.11 0.15 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 3dwc n PRO 487 Cb 0.47 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.80 3dwc n PRO 487 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dwc h GLU 488 N 0.00 0.31 -0.90 0.54 4.39 -1.97 -2.36 114.58 114.59 3dwc h GLU 488 Ca 0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3dwc h GLU 488 Cb 0.12 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 3dwc h GLU 488 CO 0.00 0.42 0.55 0.45 -1.16 0.00 0.00 179.01 179.27 3dwc h HIS 489 N 0.30 1.17 -0.24 4.33 3.86 -1.92 -1.58 115.15 121.06 3dwc h HIS 489 Ca 0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 3dwc h HIS 489 Cb 0.36 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3dwc h HIS 489 CO 0.01 0.77 -0.18 -0.92 0.86 0.00 0.00 177.93 178.46 3dwc h TYR 490 N 1.23 0.65 -0.13 2.45 3.20 -1.67 -0.60 116.97 122.09 3dwc h TYR 490 Ca 0.32 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3dwc h TYR 490 Cb -0.07 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 3dwc h TYR 490 CO 0.00 0.85 -0.13 -0.09 -1.64 0.00 0.00 178.16 177.16 3dwc h ARG 491 N 0.26 -0.14 -0.72 1.82 2.43 -1.31 -0.61 114.38 116.11 3dwc h ARG 491 Ca 0.05 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3dwc h ARG 491 Cb 0.71 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 3dwc h ARG 491 CO 0.05 -0.10 0.28 0.00 -1.51 0.00 0.00 179.97 178.69 3dwc h ARG 492 N -0.15 1.07 0.01 0.20 -0.00 -1.17 -0.81 114.38 113.53 3dwc h ARG 492 Ca 0.09 -0.19 0.01 0.00 -0.50 0.00 0.00 59.98 59.39 3dwc h ARG 492 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 30.06 3dwc h ARG 492 CO -0.22 0.88 -0.09 1.25 0.00 0.00 0.00 179.97 181.79 3dwc h HIS 493 N 1.05 -0.22 -0.43 3.04 2.76 -0.88 -1.53 115.15 118.93 3dwc h HIS 493 Ca 0.24 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3dwc h HIS 493 Cb 0.22 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 3dwc h HIS 493 CO 0.02 -0.14 0.11 -0.07 -1.30 0.00 0.00 177.93 176.56 3dwc h LEU 494 N -0.16 0.64 -0.26 0.26 3.38 -0.90 -1.70 115.31 116.57 3dwc h LEU 494 Ca 0.03 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3dwc h LEU 494 Cb 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3dwc h LEU 494 CO -0.08 0.69 0.05 -0.33 0.09 0.00 0.00 178.44 178.86 3dwc h GLU 495 N 0.55 0.14 -0.68 1.13 5.08 -1.18 -0.24 114.58 119.39 3dwc h GLU 495 Ca 0.14 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3dwc h GLU 495 Cb 0.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3dwc h GLU 495 CO -0.00 0.09 0.14 0.00 -1.00 0.00 0.00 179.01 178.25 3dwc h ARG 496 N 0.15 1.09 0.01 2.33 3.08 -1.24 -0.00 114.38 119.79 3dwc h ARG 496 Ca 0.12 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3dwc h ARG 496 Cb 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3dwc h ARG 496 CO -0.16 0.97 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.62 3dwc h ARG 497 N 1.03 -0.01 0.05 0.04 2.43 -1.26 0.12 114.38 116.78 3dwc h ARG 497 Ca 0.21 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.05 3dwc h ARG 497 Cb 0.39 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 3dwc h ARG 497 CO 0.01 0.85 -1.95 0.66 -1.51 0.00 0.00 179.97 178.03 3dwc n TYR 498 N -4.66 0.93 -0.01 2.20 4.01 -0.11 -2.34 117.16 117.19 3dwc n TYR 498 Ca -0.09 0.26 -0.17 0.00 -0.16 0.00 0.00 57.90 57.74 3dwc n TYR 498 Cb 0.41 -1.15 -0.14 0.00 -0.31 0.00 0.00 39.34 38.16 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 -3.21 0.71 0.00 -0.72 0.00 -0.19 -4.31 116.66 108.94 3dwc n ARG 499 Ca -0.27 0.26 0.09 0.00 -0.00 0.00 0.00 57.85 57.94 3dwc n ARG 499 Cb 1.06 -1.73 0.06 0.00 0.00 0.00 0.00 32.46 31.85 3dwc n ARG 499 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3dwc n ASP 500 N -3.31 2.39 -3.29 6.15 8.00 -0.19 -5.00 116.55 121.29 3dwc n ASP 500 Ca -0.27 -1.69 -0.24 0.00 0.71 0.00 0.00 54.79 53.30 3dwc n ASP 500 Cb 1.05 0.06 0.02 0.00 -0.02 0.00 0.00 41.12 42.23 3dwc n ASP 500 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dwc n ASP 501 N 0.86 -5.03 -0.28 -2.24 2.03 -0.99 -4.86 116.55 106.05 3dwc n ASP 501 Ca 0.10 -0.40 0.13 0.00 0.52 0.00 0.00 54.79 55.15 3dwc n ASP 501 Cb 0.44 -4.08 0.44 0.00 -0.72 0.00 0.00 41.12 37.20 3dwc n ASP 501 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dwc n ARG 502 N -4.04 1.01 0.00 -0.67 1.74 0.41 -5.00 116.66 110.11 3dwc n ARG 502 Ca -0.05 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 3dwc n ARG 502 Cb 0.57 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3dwc n ARG 502 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52