#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwc n MET 1 N 0.00 2.07 0.35 4.33 2.00 -1.26 -4.54 117.12 120.07 3dwc n MET 1 Ca 0.00 -1.58 -0.17 0.00 0.00 0.00 0.00 57.70 55.94 3dwc n MET 1 Cb 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 33.22 31.67 3dwc n MET 1 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3dwc h LYS 2 N 3.41 -0.84 -0.71 0.03 1.57 -2.00 -1.40 116.57 116.63 3dwc h LYS 2 Ca 0.00 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 3dwc h LYS 2 Cb 0.74 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 3dwc h LYS 2 CO 0.00 -0.55 0.31 -1.00 -0.57 0.00 0.00 179.45 177.64 3dwc h PRO 3 N -0.91 0.48 -0.67 3.15 0.13 -1.90 -0.80 132.00 131.48 3dwc h PRO 3 Ca -0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3dwc h PRO 3 Cb 0.68 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.67 3dwc h PRO 3 CO 0.15 0.32 0.43 -0.92 -0.23 0.00 0.00 178.00 177.75 3dwc h TYR 4 N 0.50 0.86 -0.02 1.56 3.20 -1.81 -0.36 116.97 120.89 3dwc h TYR 4 Ca 0.37 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.10 3dwc h TYR 4 Cb 0.48 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3dwc h TYR 4 CO -0.14 0.55 -0.69 0.87 -1.64 0.00 0.00 178.16 177.11 3dwc h LYS 5 N 0.91 0.12 -0.44 1.82 1.79 -0.75 -1.30 116.57 118.73 3dwc h LYS 5 Ca 0.24 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 3dwc h LYS 5 Cb -0.08 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 3dwc h LYS 5 CO -0.05 0.76 -0.08 1.49 -1.08 0.00 0.00 179.45 180.49 3dwc h GLU 6 N 0.08 0.78 -0.65 3.15 4.57 -0.82 -2.49 114.58 119.19 3dwc h GLU 6 Ca -0.01 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.90 3dwc h GLU 6 Cb 1.22 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 3dwc h GLU 6 CO 0.10 0.84 0.33 -0.07 -1.18 0.00 0.00 179.01 179.03 3dwc h LEU 7 N 0.71 0.84 -0.61 1.64 3.38 -0.62 -1.37 115.31 119.27 3dwc h LEU 7 Ca 0.13 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3dwc h LEU 7 Cb 0.55 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3dwc h LEU 7 CO 0.03 0.72 0.24 -0.33 0.09 0.00 0.00 178.44 179.19 3dwc h GLU 8 N 0.90 0.42 -0.41 1.13 5.08 -1.12 0.91 114.58 121.48 3dwc h GLU 8 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dwc h GLU 8 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3dwc h GLU 8 CO -0.03 0.28 0.22 -0.09 -1.00 0.00 0.00 179.01 178.38 3dwc h ARG 9 N 0.43 0.58 -0.34 2.33 2.43 -1.20 -0.94 114.38 117.68 3dwc h ARG 9 Ca 0.31 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 3dwc h ARG 9 Cb 0.37 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3dwc h ARG 9 CO -0.30 0.48 0.19 0.28 -1.51 0.00 0.00 179.97 179.11 3dwc h VAL 10 N 0.53 1.02 -0.02 0.20 2.07 -0.48 -2.39 116.25 117.19 3dwc h VAL 10 Ca 0.14 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3dwc h VAL 10 Cb 0.08 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3dwc h VAL 10 CO -0.02 0.07 -0.45 -0.26 0.02 0.00 0.00 177.57 176.93 3dwc h PHE 11 N 0.39 0.05 -0.49 1.57 -1.00 -0.69 -1.64 116.94 115.12 3dwc h PHE 11 Ca 0.13 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3dwc h PHE 11 Cb 0.02 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 3dwc h PHE 11 CO -0.08 0.49 0.32 1.15 -1.61 0.00 0.00 178.31 178.58 3dwc h THR 12 N 0.04 1.13 -0.07 -1.55 2.02 -0.95 0.63 112.91 114.15 3dwc h THR 12 Ca -0.00 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.99 3dwc h THR 12 Cb 0.81 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 3dwc h THR 12 CO 0.06 0.12 -0.30 0.50 0.37 0.00 0.00 175.52 176.27 3dwc h LYS 13 N 0.66 -0.39 -0.76 6.66 3.64 -0.93 0.68 116.57 126.13 3dwc h LYS 13 Ca 0.18 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 3dwc h LYS 13 Cb -0.08 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 3dwc h LYS 13 CO -0.04 -0.26 0.50 -0.07 -2.27 0.00 0.00 179.45 177.31 3dwc h LEU 14 N -0.40 0.70 -0.50 5.20 3.38 -1.17 -0.70 115.31 121.82 3dwc h LEU 14 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3dwc h LEU 14 Cb 0.52 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3dwc h LEU 14 CO -0.30 0.45 0.08 0.22 0.09 0.00 0.00 178.44 178.98 3dwc h TYR 15 N 0.80 0.88 -0.28 1.13 3.20 0.49 -0.23 116.97 122.96 3dwc h TYR 15 Ca 0.33 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3dwc h TYR 15 Cb 0.26 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3dwc h TYR 15 CO -0.00 0.81 0.15 0.00 -1.64 0.00 0.00 178.16 177.47 3dwc h ARG 16 N 0.70 0.40 -0.49 1.82 2.47 0.32 -0.91 114.38 118.69 3dwc h ARG 16 Ca 0.15 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.86 3dwc h ARG 16 Cb 0.40 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 3dwc h ARG 16 CO 0.01 0.37 0.24 1.88 0.56 0.00 0.00 179.97 183.04 3dwc h TYR 17 N 0.33 0.45 -0.10 3.04 0.05 -1.06 -2.84 116.97 116.84 3dwc h TYR 17 Ca 0.10 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3dwc h TYR 17 Cb 0.09 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3dwc h TYR 17 CO -0.03 0.22 -0.12 0.78 -1.05 0.00 0.00 178.16 177.97 3dwc h GLY 18 N 0.48 0.16 0.49 3.88 0.00 -0.51 -1.87 103.07 105.69 3dwc h GLY 18 Ca 0.21 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.53 3dwc h GLY 18 CO -0.15 0.09 0.27 0.84 0.00 0.00 0.00 176.54 177.59 3dwc h HIS 19 N 0.15 0.48 -0.22 5.60 -0.00 -0.93 0.80 115.15 121.03 3dwc h HIS 19 Ca 0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 3dwc h HIS 19 Cb 0.30 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 3dwc h HIS 19 CO 0.00 0.17 -0.03 0.52 -0.00 0.00 0.00 177.93 178.59 3dwc h MET 20 N 0.49 0.42 -0.90 5.26 2.07 -1.34 -1.17 114.93 119.76 3dwc h MET 20 Ca 0.30 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.78 3dwc h MET 20 Cb 0.32 -0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 3dwc h MET 20 CO -0.26 0.64 0.54 -0.07 1.07 0.00 0.00 176.91 178.82 3dwc h LEU 21 N 0.16 1.09 -0.29 1.22 3.38 -1.11 -0.93 115.31 118.83 3dwc h LEU 21 Ca 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3dwc h LEU 21 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dwc h LEU 21 CO 0.02 0.84 0.11 -0.07 0.09 0.00 0.00 178.44 179.43 3dwc h LEU 22 N 1.24 0.40 -0.09 1.67 3.38 -0.73 -0.81 115.31 120.38 3dwc h LEU 22 Ca 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dwc h LEU 22 Cb -0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dwc h LEU 22 CO -0.06 0.47 0.05 0.25 0.09 0.00 0.00 178.44 179.24 3dwc h LEU 23 N 0.31 0.10 -1.05 1.67 5.85 -1.06 -0.67 115.31 120.47 3dwc h LEU 23 Ca 0.10 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3dwc h LEU 23 Cb 0.19 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3dwc h LEU 23 CO -0.01 0.10 0.63 0.00 -0.34 0.00 0.00 178.44 178.83 3dwc h ALA 24 N 1.00 1.46 -0.15 1.25 0.00 -1.07 -0.93 119.26 120.82 3dwc h ALA 24 Ca 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 24 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dwc h ALA 24 CO -0.01 0.37 -0.16 0.22 0.00 0.00 0.00 179.25 179.68 3dwc h ASP 25 N 1.10 0.40 -0.38 0.00 3.58 -0.75 -1.57 116.42 118.81 3dwc h ASP 25 Ca 0.44 -0.48 0.03 0.00 0.42 0.00 0.00 57.03 57.44 3dwc h ASP 25 Cb 0.25 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3dwc h ASP 25 CO -0.18 0.80 0.18 -0.25 -2.88 0.00 0.00 179.24 176.91 3dwc h TRP 26 N 0.01 0.32 -0.68 0.28 7.01 -0.79 -2.70 115.95 119.40 3dwc h TRP 26 Ca 0.02 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.96 3dwc h TRP 26 Cb 0.69 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.63 3dwc h TRP 26 CO 0.08 0.16 0.13 0.22 -2.79 0.00 0.00 178.44 176.25 3dwc h ASP 27 N 0.36 1.07 -0.98 2.65 3.58 -1.15 -2.36 116.42 119.59 3dwc h ASP 27 Ca 0.16 -0.25 0.29 0.00 0.42 0.00 0.00 57.03 57.65 3dwc h ASP 27 Cb 0.09 -0.28 -0.14 0.00 1.72 0.00 0.00 39.33 40.71 3dwc h ASP 27 CO -0.13 1.05 0.53 0.28 -2.88 0.00 0.00 179.24 178.09 3dwc h SER 28 N 1.04 0.48 0.40 2.28 0.02 -0.95 0.75 113.55 117.57 3dwc h SER 28 Ca 0.21 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3dwc h SER 28 Cb 0.42 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3dwc h SER 28 CO 0.01 -0.08 -0.84 1.41 -1.14 0.00 0.00 176.83 176.19 3dwc n HIS 29 N -5.04 0.15 -0.03 3.45 8.25 -0.94 -4.47 115.22 116.59 3dwc n HIS 29 Ca 0.29 0.04 -0.06 0.00 -0.26 0.00 0.00 57.72 57.74 3dwc n HIS 29 Cb 0.88 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.74 0.30 -0.02 1.59 -2.24 -0.70 -4.51 114.28 106.95 3dwc n THR 30 Ca 0.03 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 3dwc n THR 30 Cb 0.39 -1.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.09 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 -3.18 2.05 -1.98 -0.78 2.00 0.17 -4.98 117.12 110.42 3dwc n MET 31 Ca -0.11 -0.02 -0.42 0.00 0.00 0.00 0.00 57.70 57.15 3dwc n MET 31 Cb 0.58 -1.16 -0.03 0.00 0.00 0.00 0.00 33.22 32.61 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 -2.25 4.22 0.00 0.03 1.75 -0.72 -5.04 119.30 117.29 3dwc s MET 32 Ca -0.03 2.27 0.00 0.00 -1.25 0.00 0.00 55.69 56.68 3dwc s MET 32 Cb 0.03 -3.49 0.00 0.00 2.84 0.00 0.00 34.83 34.21 3dwc s MET 32 CO 0.26 -0.67 0.00 -0.35 -0.65 0.00 0.00 175.02 173.61 3dwc n PRO 33 N 5.16 0.23 0.00 4.11 -0.04 -1.26 -4.95 135.00 138.25 3dwc n PRO 33 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3dwc n PRO 33 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -4.03 118.16 118.43 3dwc n LYS 35 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3dwc n LYS 35 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 35.53 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 -1.35 0.14 0.72 0.00 -1.26 -4.38 105.19 99.06 3dwc n GLY 36 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.34 -0.09 1.61 0.87 -1.96 -1.38 113.55 112.93 3dwc h SER 37 Ca 0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3dwc h SER 37 Cb 0.43 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3dwc h SER 37 CO 0.00 0.26 0.03 0.44 -0.53 0.00 0.00 176.83 177.03 3dwc h ASP 38 N 0.38 0.14 -0.58 6.23 3.32 -1.97 -1.09 116.42 122.86 3dwc h ASP 38 Ca 0.11 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3dwc h ASP 38 Cb -0.03 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3dwc h ASP 38 CO -0.02 0.30 0.32 0.00 -1.72 0.00 0.00 179.24 178.12 3dwc h ALA 39 N 0.84 1.42 -0.32 3.45 0.00 -1.83 -1.74 119.26 121.09 3dwc h ALA 39 Ca 0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3dwc h ALA 39 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dwc h ALA 39 CO -0.00 0.47 -0.26 -0.09 0.00 0.00 0.00 179.25 179.37 3dwc h ARG 40 N 0.84 0.74 -0.38 0.00 9.65 -1.10 -1.87 114.38 122.26 3dwc h ARG 40 Ca 0.21 -0.37 -0.05 0.00 -1.10 0.00 0.00 59.98 58.67 3dwc h ARG 40 Cb 0.04 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3dwc h ARG 40 CO -0.03 0.99 0.03 0.78 2.80 0.00 0.00 179.97 184.53 3dwc h GLY 41 N 0.50 0.69 0.93 2.80 0.00 -0.97 -1.62 103.07 105.41 3dwc h GLY 41 Ca 0.06 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 46.95 3dwc h GLY 41 CO 0.07 0.45 0.59 0.00 0.00 0.00 0.00 176.54 177.65 3dwc h ALA 42 N 0.89 1.48 -0.28 3.60 0.00 -1.34 -1.70 119.26 121.91 3dwc h ALA 42 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3dwc h ALA 42 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dwc h ALA 42 CO 0.01 0.41 -0.19 0.00 0.00 0.00 0.00 179.25 179.48 3dwc h ALA 43 N 1.50 0.40 -0.55 0.00 0.00 -1.07 -2.02 119.26 117.52 3dwc h ALA 43 Ca 0.37 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3dwc h ALA 43 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3dwc h ALA 43 CO -0.13 0.34 0.02 0.52 0.00 0.00 0.00 179.25 180.00 3dwc h MET 44 N 0.37 0.95 -0.82 0.00 2.86 -1.17 -2.19 114.93 114.93 3dwc h MET 44 Ca 0.06 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 3dwc h MET 44 Cb 0.73 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 3dwc h MET 44 CO 0.05 0.95 0.45 0.00 1.06 0.00 0.00 176.91 179.43 3dwc h ALA 45 N 0.97 1.05 -0.74 6.32 0.00 -1.30 0.53 119.26 126.09 3dwc h ALA 45 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dwc h ALA 45 Cb 0.51 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3dwc h ALA 45 CO 0.02 0.56 0.24 1.49 0.00 0.00 0.00 179.25 181.56 3dwc h GLU 46 N 1.14 1.14 -0.10 0.00 4.57 -1.18 -1.52 114.58 118.63 3dwc h GLU 46 Ca 0.29 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3dwc h GLU 46 Cb 0.03 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3dwc h GLU 46 CO -0.05 0.96 -0.28 1.25 -1.18 0.00 0.00 179.01 179.71 3dwc h LEU 47 N 1.09 0.43 -0.72 1.64 5.85 -1.07 -2.40 115.31 120.12 3dwc h LEU 47 Ca 0.24 -0.59 0.16 0.00 0.84 0.00 0.00 57.88 58.52 3dwc h LEU 47 Cb 0.29 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 41.09 3dwc h LEU 47 CO -0.01 0.94 0.15 1.56 -0.34 0.00 0.00 178.44 180.75 3dwc h GLN 48 N -0.07 0.24 -0.26 1.25 4.20 -0.91 -0.85 115.11 118.70 3dwc h GLN 48 Ca -0.01 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3dwc h GLN 48 Cb 0.90 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 3dwc h GLN 48 CO 0.06 0.16 0.12 1.25 -0.67 0.00 0.00 178.83 179.74 3dwc h LEU 49 N 0.24 0.16 -0.66 1.46 5.85 -1.18 -0.38 115.31 120.81 3dwc h LEU 49 Ca 0.41 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3dwc h LEU 49 Cb 0.69 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3dwc h LEU 49 CO -0.52 0.13 0.35 -0.74 -0.34 0.00 0.00 178.44 177.32 3dwc h HIS 50 N 0.25 0.92 -0.34 1.25 2.76 -0.83 -0.59 115.15 118.57 3dwc h HIS 50 Ca 0.11 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3dwc h HIS 50 Cb 0.05 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 3dwc h HIS 50 CO -0.11 0.67 0.16 0.52 -1.30 0.00 0.00 177.93 177.87 3dwc h MET 51 N 0.91 0.32 0.18 5.26 2.86 -0.98 -0.29 114.93 123.19 3dwc h MET 51 Ca 0.23 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 3dwc h MET 51 Cb 0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3dwc h MET 51 CO -0.03 0.21 -0.23 1.25 1.06 0.00 0.00 176.91 179.17 3dwc h HIS 52 N 0.33 -0.60 -0.43 -0.22 6.17 -0.82 -1.72 115.15 117.85 3dwc h HIS 52 Ca 0.15 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.25 3dwc h HIS 52 Cb 0.07 0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.22 3dwc h HIS 52 CO -0.11 -0.33 0.28 -0.44 0.71 0.00 0.00 177.93 178.04 3dwc h ASP 53 N -0.46 0.46 -0.04 3.26 3.32 -1.05 -1.37 116.42 120.55 3dwc h ASP 53 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dwc h ASP 53 Cb 0.45 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dwc h ASP 53 CO -0.08 0.33 0.01 0.74 -1.72 0.00 0.00 179.24 178.51 3dwc h THR 54 N 0.54 1.19 0.00 0.35 2.02 -0.80 -2.46 112.91 113.76 3dwc h THR 54 Ca 0.16 -0.58 -0.14 0.00 0.77 0.00 0.00 66.41 66.61 3dwc h THR 54 Cb -0.01 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3dwc h THR 54 CO -0.04 0.16 -0.69 -0.29 0.37 0.00 0.00 175.52 175.03 3dwc h ILE 55 N -0.17 1.23 -0.17 3.11 2.10 -1.09 -3.22 117.51 119.31 3dwc h ILE 55 Ca 0.01 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.35 3dwc h ILE 55 Cb 0.25 2.51 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 3dwc h ILE 55 CO 0.00 0.67 0.00 0.35 -1.08 0.00 0.00 178.15 178.09 3dwc n THR 56 N -3.35 0.20 -1.83 2.19 -2.24 -0.54 -4.76 114.28 103.96 3dwc n THR 56 Ca 0.01 -0.51 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 3dwc n THR 56 Cb 0.78 0.95 0.01 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.80 3.41 0.48 6.98 0.00 -0.93 -4.88 121.76 125.02 3dwc s ALA 57 Ca 0.34 1.49 0.25 0.00 0.00 0.00 0.00 51.96 54.04 3dwc s ALA 57 Cb 0.21 -3.59 1.29 0.00 0.00 0.00 0.00 23.12 21.03 3dwc s ALA 57 CO 0.30 -1.08 1.87 -1.35 0.00 0.00 0.00 175.76 175.51 3dwc h PRO 58 N 2.70 0.19 -0.88 0.00 0.11 -1.92 -0.54 132.00 131.66 3dwc h PRO 58 Ca -0.51 -0.01 0.24 0.00 0.11 0.00 0.00 66.00 65.83 3dwc h PRO 58 Cb 1.25 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 3dwc h PRO 58 CO 0.63 0.12 0.19 -0.22 -0.21 0.00 0.00 178.00 178.51 3dwc h LYS 59 N 0.19 0.16 -0.40 1.05 3.64 -1.96 -2.16 116.57 117.10 3dwc h LYS 59 Ca 0.44 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 3dwc h LYS 59 Cb 1.43 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 3dwc h LYS 59 CO -0.09 0.11 0.11 0.82 -2.27 0.00 0.00 179.45 178.12 3dwc h ILE 60 N 0.16 1.22 -0.64 2.00 1.08 -1.39 -0.44 117.51 119.52 3dwc h ILE 60 Ca 0.55 -0.74 0.07 0.00 -0.39 0.00 0.00 64.86 64.35 3dwc h ILE 60 Cb 1.11 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.76 3dwc h ILE 60 CO -0.69 0.26 0.31 -0.09 -0.69 0.00 0.00 178.15 177.25 3dwc h ARG 61 N 0.50 0.55 -0.38 2.37 2.43 -1.50 -0.11 114.38 118.23 3dwc h ARG 61 Ca 0.13 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3dwc h ARG 61 Cb 0.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3dwc h ARG 61 CO -0.00 0.36 -0.12 0.00 -1.51 0.00 0.00 179.97 178.70 3dwc h ALA 62 N 1.37 0.53 -0.23 2.80 0.00 -1.02 -1.08 119.26 121.63 3dwc h ALA 62 Ca 0.30 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dwc h ALA 62 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3dwc h ALA 62 CO -0.23 0.42 0.08 -0.07 0.00 0.00 0.00 179.25 179.45 3dwc h LEU 63 N 0.56 0.10 -0.40 0.00 3.38 -0.73 -0.53 115.31 117.69 3dwc h LEU 63 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3dwc h LEU 63 Cb 0.65 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3dwc h LEU 63 CO 0.04 0.09 0.17 0.40 0.09 0.00 0.00 178.44 179.24 3dwc h ILE 64 N 0.19 1.19 -0.88 1.22 2.04 -0.83 0.89 117.51 121.32 3dwc h ILE 64 Ca 0.10 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3dwc h ILE 64 Cb 0.06 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3dwc h ILE 64 CO -0.09 0.20 0.52 -0.33 0.00 0.00 0.00 178.15 178.45 3dwc h GLU 65 N 0.50 1.20 -0.18 2.37 5.08 -1.05 -0.86 114.58 121.64 3dwc h GLU 65 Ca 0.14 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3dwc h GLU 65 Cb 0.16 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3dwc h GLU 65 CO -0.01 0.85 -0.22 0.93 -1.00 0.00 0.00 179.01 179.55 3dwc h GLU 66 N 1.22 0.47 -0.90 2.33 4.39 -0.73 -2.82 114.58 118.55 3dwc h GLU 66 Ca 0.32 -0.27 0.09 0.00 0.34 0.00 0.00 59.36 59.84 3dwc h GLU 66 Cb -0.04 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.57 3dwc h GLU 66 CO -0.06 0.85 0.58 0.00 -1.16 0.00 0.00 179.01 179.22 3dwc h ALA 67 N 0.62 1.59 0.00 3.43 0.00 -0.64 -2.59 119.26 121.67 3dwc h ALA 67 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3dwc h ALA 67 Cb 0.78 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dwc h ALA 67 CO 0.05 0.24 -0.27 0.93 0.00 0.00 0.00 179.25 180.20 3dwc h GLU 68 N 0.93 0.00 0.00 0.00 5.08 -1.07 -2.86 114.58 116.67 3dwc h GLU 68 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3dwc h GLU 68 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3dwc h GLU 68 CO -0.17 0.27 0.00 0.36 -1.00 0.00 0.00 179.01 178.47 3dwc n LYS 69 N -3.30 0.21 -2.50 2.33 2.85 -0.98 -3.20 118.16 113.58 3dwc n LYS 69 Ca 0.01 0.20 -0.27 0.00 -1.05 0.00 0.00 58.31 57.20 3dwc n LYS 69 Cb 0.52 -1.76 -0.00 0.00 -0.65 0.00 0.00 35.03 33.14 3dwc n LYS 69 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3dwc n SER 70 N -2.14 4.66 0.19 -5.58 3.41 -1.08 -4.85 113.62 108.23 3dwc n SER 70 Ca 0.05 -3.71 0.07 0.00 -0.26 0.00 0.00 58.87 55.03 3dwc n SER 70 Cb 0.40 -0.46 0.30 0.00 -0.26 0.00 0.00 64.21 64.19 3dwc n SER 70 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3dwc h VAL 71 N 2.60 0.71 0.00 -3.33 3.04 -1.51 -2.78 116.25 114.98 3dwc h VAL 71 Ca 0.29 -1.52 -0.01 0.00 -1.01 0.00 0.00 66.70 64.45 3dwc h VAL 71 Cb 0.91 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 32.18 3dwc h VAL 71 CO 0.84 0.33 -0.06 1.23 -1.01 0.00 0.00 177.57 178.90 3dwc h GLY 72 N 2.50 0.00 -0.01 3.17 0.00 -1.88 -2.64 103.07 104.20 3dwc h GLY 72 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dwc h GLY 72 CO 0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.80 3dwc n ASP 73 N -3.20 0.01 -4.62 0.19 10.43 -1.05 -4.86 116.55 113.45 3dwc n ASP 73 Ca 0.00 -1.87 -0.30 0.00 2.57 0.00 0.00 54.79 55.18 3dwc n ASP 73 Cb 0.32 -0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.18 3dwc n ASP 73 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3dwc s LEU 74 N -0.99 3.23 0.82 0.64 1.43 -1.00 -4.97 118.68 117.83 3dwc s LEU 74 Ca 0.00 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 3dwc s LEU 74 Cb 0.00 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.33 3dwc s LEU 74 CO 0.00 0.19 1.11 -1.61 0.23 0.00 0.00 176.35 176.27 3dwc s GLU 75 N -2.11 1.93 0.17 1.70 2.02 -1.26 -4.77 118.70 116.38 3dwc s GLU 75 Ca 0.22 0.55 -0.20 0.00 0.02 0.00 0.00 54.97 55.57 3dwc s GLU 75 Cb -0.11 -1.91 0.10 0.00 0.10 0.00 0.00 34.13 32.31 3dwc s GLU 75 CO 0.14 -1.71 1.62 -0.22 0.02 0.00 0.00 175.26 175.12 3dwc h LYS 76 N -1.15 -0.15 -0.02 1.61 3.64 -1.99 -0.55 116.57 117.96 3dwc h LYS 76 Ca -0.48 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.81 3dwc h LYS 76 Cb 1.28 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3dwc h LYS 76 CO 0.60 -0.10 -0.49 -0.07 -2.27 0.00 0.00 179.45 177.12 3dwc h LEU 77 N -0.15 0.06 -0.50 5.20 3.38 -1.95 -2.32 115.31 119.02 3dwc h LEU 77 Ca 0.20 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3dwc h LEU 77 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dwc h LEU 77 CO -0.51 0.54 -0.22 1.56 0.09 0.00 0.00 178.44 179.90 3dwc h GLN 78 N 0.04 0.99 -0.52 1.13 4.20 -1.56 0.10 115.11 119.49 3dwc h GLN 78 Ca -0.00 -0.43 -0.08 0.00 0.06 0.00 0.00 58.65 58.20 3dwc h GLN 78 Cb 0.89 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 3dwc h GLN 78 CO 0.07 1.10 0.00 0.00 -0.67 0.00 0.00 178.83 179.33 3dwc h ARG 79 N 0.85 0.92 -0.40 1.46 3.08 -1.07 0.13 114.38 119.34 3dwc h ARG 79 Ca 0.11 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3dwc h ARG 79 Cb 0.80 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 3dwc h ARG 79 CO 0.07 0.94 0.18 0.00 -1.07 0.00 0.00 179.97 180.08 3dwc h ALA 80 N 0.95 0.52 -0.73 0.04 0.00 -1.33 -1.60 119.26 117.11 3dwc h ALA 80 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dwc h ALA 80 Cb 0.52 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3dwc h ALA 80 CO 0.03 0.11 0.48 -0.97 0.00 0.00 0.00 179.25 178.90 3dwc h ASN 81 N 0.51 0.83 -0.94 0.00 -1.24 -0.55 -1.13 115.58 113.06 3dwc h ASN 81 Ca 0.14 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.13 3dwc h ASN 81 Cb 0.15 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 38.95 3dwc h ASN 81 CO -0.01 0.60 0.62 0.25 -1.29 0.00 0.00 177.43 177.59 3dwc h LEU 82 N 0.98 1.09 -0.60 0.34 5.85 -0.51 0.17 115.31 122.64 3dwc h LEU 82 Ca 0.27 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.01 3dwc h LEU 82 Cb -0.10 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 3dwc h LEU 82 CO -0.06 0.80 0.32 -0.09 -0.34 0.00 0.00 178.44 179.06 3dwc h ARG 83 N 1.28 0.58 -0.13 1.25 2.43 -0.61 -1.60 114.38 117.57 3dwc h ARG 83 Ca 0.34 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.31 3dwc h ARG 83 Cb -0.13 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 3dwc h ARG 83 CO -0.07 0.39 -0.61 0.93 -1.51 0.00 0.00 179.97 179.09 3dwc h GLU 84 N 0.60 0.46 0.04 0.20 4.39 -0.50 -1.92 114.58 117.85 3dwc h GLU 84 Ca 0.27 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.68 3dwc h GLU 84 Cb 0.17 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3dwc h GLU 84 CO -0.18 0.93 -0.27 0.52 -1.16 0.00 0.00 179.01 178.85 3dwc h MET 85 N 0.34 -0.42 -0.91 2.33 2.86 -0.53 -1.23 114.93 117.37 3dwc h MET 85 Ca -0.01 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.78 3dwc h MET 85 Cb 1.16 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 32.83 3dwc h MET 85 CO 0.11 -0.28 0.54 -0.09 1.06 0.00 0.00 176.91 178.25 3dwc h ARG 86 N -0.44 0.84 -0.33 1.72 2.43 -1.21 -1.69 114.38 115.70 3dwc h ARG 86 Ca 0.05 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3dwc h ARG 86 Cb 0.51 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3dwc h ARG 86 CO -0.21 0.56 0.18 -0.09 -1.51 0.00 0.00 179.97 178.89 3dwc h ARG 87 N 0.87 0.46 -0.86 0.20 2.43 -1.06 0.56 114.38 116.96 3dwc h ARG 87 Ca 0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 3dwc h ARG 87 Cb 0.46 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 3dwc h ARG 87 CO -0.27 0.39 0.47 0.00 -1.51 0.00 0.00 179.97 179.04 3dwc h ALA 88 N 1.05 1.11 -0.11 2.80 0.00 -0.90 -0.99 119.26 122.22 3dwc h ALA 88 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dwc h ALA 88 Cb 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3dwc h ALA 88 CO -0.02 0.62 0.00 2.35 0.00 0.00 0.00 179.25 182.20 3dwc h TRP 89 N 1.21 0.21 -1.00 0.00 7.01 -0.98 -2.52 115.95 119.88 3dwc h TRP 89 Ca 0.30 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.31 3dwc h TRP 89 Cb 0.03 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 26.98 3dwc h TRP 89 CO 0.01 0.43 0.65 0.93 -2.79 0.00 0.00 178.44 177.68 3dwc h GLU 90 N -0.07 1.22 -0.97 2.65 5.08 -0.67 0.75 114.58 122.56 3dwc h GLU 90 Ca 0.03 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3dwc h GLU 90 Cb 0.35 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3dwc h GLU 90 CO 0.01 0.81 0.63 -0.07 -1.00 0.00 0.00 179.01 179.38 3dwc h LEU 91 N 1.25 1.02 0.11 1.33 3.38 -1.00 -2.34 115.31 119.05 3dwc h LEU 91 Ca 0.40 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.05 3dwc h LEU 91 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3dwc h LEU 91 CO -0.13 0.67 -1.69 -0.33 0.09 0.00 0.00 178.44 177.05 3dwc h GLU 92 N 1.16 0.23 0.00 1.13 4.39 -0.93 -3.41 114.58 117.16 3dwc h GLU 92 Ca 0.40 -0.40 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3dwc h GLU 92 Cb 0.11 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3dwc h GLU 92 CO -0.15 1.07 -0.63 -0.97 -1.16 0.00 0.00 179.01 177.18 3dwc h ASN 93 N 0.06 0.00 0.05 1.42 -1.24 0.62 -3.36 115.58 113.13 3dwc h ASN 93 Ca -0.30 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.60 3dwc h ASN 93 Cb 2.03 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.07 3dwc h ASN 93 CO 0.13 0.14 -0.36 -0.07 -1.29 0.00 0.00 177.43 175.98 3dwc h LEU 94 N 0.00 0.44 -9.48 0.34 -0.00 -1.63 -3.43 115.31 101.54 3dwc h LEU 94 Ca -0.02 -0.17 -0.56 0.00 -0.00 0.00 0.00 57.88 57.13 3dwc h LEU 94 Cb 1.12 -0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.61 3dwc h LEU 94 CO 0.01 0.76 0.08 -0.76 -0.00 0.00 0.00 178.44 178.53 3dwc s LEU 95 N -8.47 4.40 0.57 1.67 1.43 -1.26 -4.86 118.68 112.16 3dwc s LEU 95 Ca -0.06 1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 54.10 3dwc s LEU 95 Cb 0.13 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 3dwc s LEU 95 CO 0.79 0.01 1.34 -2.84 0.23 0.00 0.00 176.35 175.89 3dwc s PRO 96 N 0.14 3.00 0.42 1.29 0.02 -1.26 -4.84 135.00 133.77 3dwc s PRO 96 Ca 0.35 2.20 0.09 0.00 0.02 0.00 0.00 61.00 63.66 3dwc s PRO 96 Cb -0.19 -2.16 0.90 0.00 0.02 0.00 0.00 34.50 33.07 3dwc s PRO 96 CO 0.19 -1.29 2.03 0.93 -0.33 0.00 0.00 177.00 178.54 3dwc h GLU 97 N 1.24 0.39 -0.79 5.54 5.08 -1.96 0.11 114.58 124.19 3dwc h GLU 97 Ca -0.51 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3dwc h GLU 97 Cb 1.31 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 3dwc h GLU 97 CO 0.56 0.31 0.51 1.49 -1.00 0.00 0.00 179.01 180.88 3dwc h GLU 98 N 0.39 0.97 -0.33 2.33 4.22 -2.00 -1.60 114.58 118.55 3dwc h GLU 98 Ca 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 3dwc h GLU 98 Cb 0.06 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3dwc h GLU 98 CO -0.01 0.64 0.20 0.35 -2.18 0.00 0.00 179.01 178.00 3dwc h PHE 99 N 1.00 0.45 -0.71 0.92 3.57 -1.15 -2.50 116.94 118.51 3dwc h PHE 99 Ca 0.31 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 3dwc h PHE 99 Cb -0.01 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3dwc h PHE 99 CO -0.03 0.34 0.22 0.28 -2.23 0.00 0.00 178.31 176.89 3dwc h VAL 100 N 0.43 1.25 0.29 1.41 2.07 -1.00 -1.55 116.25 119.15 3dwc h VAL 100 Ca 0.12 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3dwc h VAL 100 Cb 0.03 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3dwc h VAL 100 CO -0.02 0.35 -0.21 -0.33 0.02 0.00 0.00 177.57 177.37 3dwc h GLU 101 N 1.05 -0.48 -0.61 1.57 5.08 -1.28 -1.33 114.58 118.59 3dwc h GLU 101 Ca 0.23 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3dwc h GLU 101 Cb 0.29 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3dwc h GLU 101 CO -0.01 -0.32 0.22 0.00 -1.00 0.00 0.00 179.01 177.90 3dwc h ARG 102 N -0.50 0.38 -0.10 2.33 3.08 -1.04 -1.36 114.38 117.18 3dwc h ARG 102 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dwc h ARG 102 Cb 0.43 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3dwc h ARG 102 CO 0.01 0.25 0.05 -0.22 -1.07 0.00 0.00 179.97 178.99 3dwc h LYS 103 N 0.39 0.14 -0.93 0.04 3.64 -1.22 -0.05 116.57 118.59 3dwc h LYS 103 Ca 0.31 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3dwc h LYS 103 Cb 0.38 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 3dwc h LYS 103 CO -0.31 0.20 0.61 1.15 -2.27 0.00 0.00 179.45 178.83 3dwc h THR 104 N 0.05 1.22 0.70 1.00 2.02 -0.85 0.22 112.91 117.27 3dwc h THR 104 Ca 0.03 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3dwc h THR 104 Cb 0.10 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.40 3dwc h THR 104 CO -0.00 0.23 -0.34 0.58 0.37 0.00 0.00 175.52 176.35 3dwc h VAL 105 N 1.24 0.18 -0.81 3.16 2.07 -1.10 -2.08 116.25 118.91 3dwc h VAL 105 Ca 0.35 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3dwc h VAL 105 Cb -0.12 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 3dwc h VAL 105 CO -0.08 0.02 0.53 0.25 0.02 0.00 0.00 177.57 178.31 3dwc h LEU 106 N -1.13 0.80 -0.04 2.57 5.85 -0.79 -2.36 115.31 120.21 3dwc h LEU 106 Ca -0.10 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.38 3dwc h LEU 106 Cb 0.75 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3dwc h LEU 106 CO 0.16 0.52 -1.08 0.71 -0.34 0.00 0.00 178.44 178.42 3dwc h THR 107 N 0.91 1.47 -0.36 1.05 1.35 -0.94 0.67 112.91 117.07 3dwc h THR 107 Ca 0.34 -2.80 -0.09 0.00 -0.55 0.00 0.00 66.41 63.32 3dwc h THR 107 Cb 0.18 2.69 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 3dwc h THR 107 CO -0.12 0.82 -0.16 0.74 -0.25 0.00 0.00 175.52 176.55 3dwc h THR 108 N 0.13 1.26 -0.05 6.82 2.02 -0.97 -1.18 112.91 120.94 3dwc h THR 108 Ca -0.10 -1.18 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 3dwc h THR 108 Cb 1.76 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3dwc h THR 108 CO 0.18 0.39 -0.31 0.50 0.37 0.00 0.00 175.52 176.65 3dwc h LYS 109 N 0.59 0.30 -0.88 6.66 1.63 -1.38 -3.28 116.57 120.20 3dwc h LYS 109 Ca 0.10 -0.25 0.17 0.00 -0.85 0.00 0.00 60.65 59.81 3dwc h LYS 109 Cb 0.61 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.23 3dwc h LYS 109 CO 0.04 0.91 0.57 0.00 -3.45 0.00 0.00 179.45 177.52 3dwc h ALA 110 N 0.39 1.98 -0.61 5.00 0.00 -0.65 -1.25 119.26 124.11 3dwc h ALA 110 Ca -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dwc h ALA 110 Cb 0.98 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3dwc h ALA 110 CO 0.06 -0.24 0.16 1.25 0.00 0.00 0.00 179.25 180.48 3dwc h HIS 111 N 0.56 0.97 0.58 0.00 -0.00 -1.27 -0.46 115.15 115.54 3dwc h HIS 111 Ca 0.45 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.70 3dwc h HIS 111 Cb 0.89 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 28.02 3dwc h HIS 111 CO -0.00 0.80 -0.28 1.96 -0.00 0.00 0.00 177.93 180.41 3dwc h GLN 112 N 0.91 -0.75 -0.89 5.26 4.20 -1.34 -2.62 115.11 119.86 3dwc h GLN 112 Ca 0.20 0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 3dwc h GLN 112 Cb 0.31 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 3dwc h GLN 112 CO -0.00 -0.44 0.49 -0.24 -0.67 0.00 0.00 178.83 177.97 3dwc h VAL 113 N -1.04 1.26 0.16 -0.54 3.04 -1.38 -2.99 116.25 114.76 3dwc h VAL 113 Ca -0.08 -0.63 0.01 0.00 -1.01 0.00 0.00 66.70 64.99 3dwc h VAL 113 Cb 0.66 0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 3dwc h VAL 113 CO 0.13 0.29 -0.25 -0.25 -1.01 0.00 0.00 177.57 176.48 3dwc h TRP 114 N 1.25 -0.67 -0.71 3.17 7.01 -1.17 -1.42 115.95 123.40 3dwc h TRP 114 Ca 0.31 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.44 3dwc h TRP 114 Cb 0.02 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 27.27 3dwc h TRP 114 CO 0.01 -0.36 0.30 -0.22 -2.79 0.00 0.00 178.44 175.38 3dwc h LYS 115 N -0.48 0.47 0.00 2.65 3.64 -1.33 0.33 116.57 121.84 3dwc h LYS 115 Ca 0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3dwc h LYS 115 Cb 0.49 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3dwc h LYS 115 CO -0.11 0.31 -0.00 1.79 -2.27 0.00 0.00 179.45 179.17 3dwc h THR 116 N 0.49 1.56 -0.79 1.00 1.35 -1.44 -2.17 112.91 112.91 3dwc h THR 116 Ca 0.37 -1.65 0.16 0.00 -0.55 0.00 0.00 66.41 64.74 3dwc h THR 116 Cb 0.50 2.69 -0.11 0.00 -1.73 0.00 0.00 68.15 69.50 3dwc h THR 116 CO -0.34 0.43 0.30 0.00 -0.25 0.00 0.00 175.52 175.66 3dwc h ARG 118 N 0.41 -0.60 -0.58 0.00 2.43 -0.38 0.33 114.38 115.99 3dwc h ARG 118 Ca 0.45 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.75 3dwc h ARG 118 Cb 0.75 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3dwc h ARG 118 CO -0.45 -0.40 0.39 0.93 -1.51 0.00 0.00 179.97 178.92 3dwc h GLU 119 N -0.63 0.41 -0.29 0.20 4.39 -0.67 -2.67 114.58 115.33 3dwc h GLU 119 Ca -0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3dwc h GLU 119 Cb 0.48 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3dwc h GLU 119 CO 0.10 0.27 0.00 1.63 -1.16 0.00 0.00 179.01 179.86 3dwc n LYS 120 N -4.47 2.34 -3.60 2.33 4.76 0.15 -4.97 118.16 114.70 3dwc n LYS 120 Ca 0.09 -2.01 -0.22 0.00 -2.87 0.00 0.00 58.31 53.30 3dwc n LYS 120 Cb 0.33 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.11 3dwc n LYS 120 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3dwc n ASN 121 N 1.25 -3.82 -3.78 4.39 5.15 0.96 -4.96 115.26 114.46 3dwc n ASN 121 Ca 0.18 -0.65 -0.28 0.00 -0.60 0.00 0.00 54.58 53.24 3dwc n ASN 121 Cb 0.56 -4.76 -0.12 0.00 -0.53 0.00 0.00 39.78 34.93 3dwc n ASN 121 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3dwc n ASP 122 N -3.04 2.25 -0.31 1.20 2.03 0.03 -4.79 116.55 113.92 3dwc n ASP 122 Ca -0.14 -3.03 -0.05 0.00 0.52 0.00 0.00 54.79 52.10 3dwc n ASP 122 Cb 0.61 -0.71 0.08 0.00 -0.72 0.00 0.00 41.12 40.39 3dwc n ASP 122 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3dwc h PHE 123 N 5.42 1.22 -0.63 -0.67 3.57 -1.93 -3.01 116.94 120.91 3dwc h PHE 123 Ca 0.18 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.73 3dwc h PHE 123 Cb 0.79 -0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 3dwc h PHE 123 CO 0.59 0.88 0.21 0.00 -2.23 0.00 0.00 178.31 177.76 3dwc h ALA 124 N 1.24 0.81 -0.48 2.41 0.00 -1.99 0.27 119.26 121.52 3dwc h ALA 124 Ca 0.29 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3dwc h ALA 124 Cb 0.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3dwc h ALA 124 CO -0.04 -0.23 0.12 0.78 0.00 0.00 0.00 179.25 179.88 3dwc h GLY 125 N 0.37 0.77 2.00 0.00 0.00 -1.96 -2.97 103.07 101.28 3dwc h GLY 125 Ca 0.33 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3dwc h GLY 125 CO -0.35 0.40 -0.22 -2.75 0.00 0.00 0.00 176.54 173.62 3dwc h PHE 126 N 0.70 0.00 -0.93 5.60 3.57 -1.09 -3.39 116.94 121.40 3dwc h PHE 126 Ca 0.16 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3dwc h PHE 126 Cb 0.25 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.93 3dwc h PHE 126 CO 0.01 0.22 0.59 1.25 -2.23 0.00 0.00 178.31 178.15 3dwc h LEU 127 N 0.00 0.96 -0.00 0.59 5.85 -0.34 -1.17 115.31 121.19 3dwc h LEU 127 Ca -0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3dwc h LEU 127 Cb 1.15 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3dwc h LEU 127 CO 0.03 0.63 -0.28 -0.65 -0.34 0.00 0.00 178.44 177.83 3dwc h PRO 128 N 1.10 -0.41 -0.55 5.25 0.11 -1.76 -1.34 132.00 134.42 3dwc h PRO 128 Ca 0.39 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.60 3dwc h PRO 128 Cb 0.11 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.25 3dwc h PRO 128 CO -0.15 -0.27 0.22 1.15 -0.21 0.00 0.00 178.00 178.74 3dwc h THR 129 N -0.42 0.84 -0.37 -1.15 2.02 -1.70 -2.99 112.91 109.13 3dwc h THR 129 Ca 0.06 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 3dwc h THR 129 Cb 0.51 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3dwc h THR 129 CO -0.24 0.08 -0.12 0.25 0.37 0.00 0.00 175.52 175.85 3dwc h LEU 130 N 0.42 0.64 -1.29 2.58 6.46 -0.99 -0.40 115.31 122.74 3dwc h LEU 130 Ca 0.26 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3dwc h LEU 130 Cb 0.27 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3dwc h LEU 130 CO -0.24 0.79 0.11 0.11 -0.62 0.00 0.00 178.44 178.60 3dwc h LYS 131 N 0.60 0.60 -0.21 1.25 1.57 -1.11 -1.02 116.57 118.25 3dwc h LYS 131 Ca 0.10 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3dwc h LYS 131 Cb 0.56 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3dwc h LYS 131 CO 0.04 0.54 -0.33 0.93 -0.57 0.00 0.00 179.45 180.06 3dwc h GLU 132 N 0.59 0.59 -0.12 3.15 5.08 -1.22 -1.73 114.58 120.92 3dwc h GLU 132 Ca 0.14 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3dwc h GLU 132 Cb 0.20 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3dwc h GLU 132 CO -0.01 0.97 0.04 -0.07 -1.00 0.00 0.00 179.01 178.94 3dwc h LEU 133 N 0.27 0.05 -0.92 1.33 3.38 -0.81 0.26 115.31 118.88 3dwc h LEU 133 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dwc h LEU 133 Cb 0.92 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3dwc h LEU 133 CO 0.08 0.05 0.47 0.40 0.09 0.00 0.00 178.44 179.52 3dwc h ILE 134 N 0.10 1.26 -0.44 1.22 1.08 -1.22 0.24 117.51 119.76 3dwc h ILE 134 Ca 0.05 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.84 3dwc h ILE 134 Cb 0.03 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 3dwc h ILE 134 CO -0.05 0.29 0.20 0.00 -0.69 0.00 0.00 178.15 177.91 3dwc h ALA 135 N 1.28 0.56 -0.33 1.87 0.00 -0.99 -1.93 119.26 119.72 3dwc h ALA 135 Ca 0.31 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3dwc h ALA 135 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3dwc h ALA 135 CO -0.05 0.13 0.08 1.25 0.00 0.00 0.00 179.25 180.67 3dwc h LEU 136 N 0.56 0.06 -0.70 0.00 5.85 0.43 -2.37 115.31 119.14 3dwc h LEU 136 Ca 0.15 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 3dwc h LEU 136 Cb 0.13 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3dwc h LEU 136 CO -0.02 0.07 0.15 -0.26 -0.34 0.00 0.00 178.44 178.04 3dwc h PHE 137 N 0.21 1.20 -0.48 1.25 0.04 -0.36 0.31 116.94 119.10 3dwc h PHE 137 Ca 0.15 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3dwc h PHE 137 Cb 0.15 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3dwc h PHE 137 CO -0.16 0.98 0.27 0.00 -0.60 0.00 0.00 178.31 178.80 3dwc h ARG 138 N 1.07 0.66 -0.20 1.51 3.08 -1.32 -0.50 114.38 118.68 3dwc h ARG 138 Ca 0.22 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3dwc h ARG 138 Cb 0.41 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3dwc h ARG 138 CO 0.01 0.51 0.10 1.49 -1.07 0.00 0.00 179.97 181.01 3dwc h GLU 139 N 0.64 0.28 -0.87 0.04 4.81 -1.01 -2.80 114.58 115.67 3dwc h GLU 139 Ca 0.17 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.45 3dwc h GLU 139 Cb 0.03 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 3dwc h GLU 139 CO -0.03 0.28 0.52 1.49 -0.73 0.00 0.00 179.01 180.54 3dwc h GLU 140 N 0.20 0.88 -0.49 1.92 4.81 -0.11 -1.76 114.58 120.03 3dwc h GLU 140 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3dwc h GLU 140 Cb 0.09 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3dwc h GLU 140 CO -0.01 0.58 0.24 0.78 -0.73 0.00 0.00 179.01 179.87 3dwc h GLY 141 N 0.90 0.74 0.98 1.92 0.00 -0.99 0.29 103.07 106.92 3dwc h GLY 141 Ca 0.40 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 3dwc h GLY 141 CO -0.22 0.34 0.17 0.50 0.00 0.00 0.00 176.54 177.34 3dwc h LYS 142 N 0.64 0.83 0.20 4.80 1.57 -1.25 0.14 116.57 123.50 3dwc h LYS 142 Ca 0.17 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3dwc h LYS 142 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3dwc h LYS 142 CO -0.02 0.76 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.45 3dwc h LEU 143 N 0.74 -0.24 -1.80 2.94 3.38 -1.03 -2.22 115.31 117.08 3dwc h LEU 143 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3dwc h LEU 143 Cb 0.27 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3dwc h LEU 143 CO -0.01 -0.17 -0.08 0.03 0.09 0.00 0.00 178.44 178.31 3dwc h ARG 144 N -0.27 0.00 0.01 1.13 3.08 -0.75 -2.90 114.38 114.67 3dwc h ARG 144 Ca -0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 3dwc h ARG 144 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 3dwc h ARG 144 CO 0.04 0.08 -0.49 0.00 -1.07 0.00 0.00 179.97 178.53 3dwc h ALA 145 N 1.92 0.05 -0.95 0.04 0.00 -0.84 -3.48 119.26 116.00 3dwc h ALA 145 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3dwc h ALA 145 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dwc h ALA 145 CO 0.01 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.93 3dwc n GLY 146 N 1.10 3.45 1.90 0.00 0.00 -0.85 -1.88 105.19 108.91 3dwc n GLY 146 Ca -0.10 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.79 3dwc n GLY 146 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dwc n ASN 147 N 5.00 5.22 -0.23 1.61 6.94 -1.26 -4.34 115.26 128.20 3dwc n ASN 147 Ca 0.00 -3.01 -0.04 0.00 -0.02 0.00 0.00 54.58 51.51 3dwc n ASN 147 Cb 0.00 -0.71 0.13 0.00 -2.36 0.00 0.00 39.78 36.84 3dwc n ASN 147 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3dwc h SER 148 N 3.30 0.97 0.00 0.53 0.02 -1.77 -3.47 113.55 113.14 3dwc h SER 148 Ca 0.11 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3dwc h SER 148 Cb 2.09 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3dwc h SER 148 CO 0.58 0.86 0.00 0.61 -1.14 0.00 0.00 176.83 177.74 3dwc n GLY 149 N -0.96 0.68 3.77 -3.77 0.00 -1.26 -5.05 105.19 98.59 3dwc n GLY 149 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3dwc n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwc s LYS 150 N -0.14 4.49 0.22 1.61 1.02 -1.26 -5.00 119.74 120.67 3dwc s LYS 150 Ca 0.00 1.68 -0.31 0.00 0.02 0.00 0.00 55.97 57.36 3dwc s LYS 150 Cb 0.00 -2.97 -0.14 0.00 -0.52 0.00 0.00 37.83 34.20 3dwc s LYS 150 CO 0.00 0.11 1.23 1.58 -0.92 0.00 0.00 175.35 177.35 3dwc n HIS 151 N 0.77 1.64 -0.34 3.18 -0.00 -1.26 -4.82 115.22 114.39 3dwc n HIS 151 Ca 0.01 0.59 0.17 0.00 -0.00 0.00 0.00 57.72 58.49 3dwc n HIS 151 Cb 0.47 -2.35 0.40 0.00 -0.00 0.00 0.00 29.99 28.51 3dwc n HIS 151 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3dwc h PRO 152 N 3.45 0.57 -0.29 1.57 0.11 -1.95 -1.49 132.00 133.98 3dwc h PRO 152 Ca -0.43 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 3dwc h PRO 152 Cb 1.32 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3dwc h PRO 152 CO 0.70 0.38 -0.44 -0.92 -0.21 0.00 0.00 178.00 177.51 3dwc h TYR 153 N 0.59 0.89 -0.85 0.65 3.20 -1.89 -2.37 116.97 117.18 3dwc h TYR 153 Ca 0.60 -0.28 0.11 0.00 3.14 0.00 0.00 58.73 62.31 3dwc h TYR 153 Cb 1.18 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 39.19 3dwc h TYR 153 CO -0.00 1.04 0.48 1.49 -1.64 0.00 0.00 178.16 179.53 3dwc h GLU 154 N 0.59 0.75 -0.10 1.82 4.81 -1.65 -0.11 114.58 120.69 3dwc h GLU 154 Ca 0.04 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3dwc h GLU 154 Cb 1.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3dwc h GLU 154 CO 0.09 0.49 -0.15 0.00 -0.73 0.00 0.00 179.01 178.72 3dwc h ALA 155 N 1.49 1.57 -0.01 2.92 0.00 -0.91 -0.99 119.26 123.34 3dwc h ALA 155 Ca 0.43 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3dwc h ALA 155 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3dwc h ALA 155 CO -0.28 0.31 -0.24 -0.07 0.00 0.00 0.00 179.25 178.97 3dwc h LEU 156 N 0.15 0.23 -0.84 0.00 3.38 -0.95 -3.26 115.31 114.01 3dwc h LEU 156 Ca 0.03 -0.75 0.18 0.00 0.09 0.00 0.00 57.88 57.43 3dwc h LEU 156 Cb 0.36 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 3dwc h LEU 156 CO 0.02 0.94 0.37 0.58 0.09 0.00 0.00 178.44 180.45 3dwc h VAL 157 N -0.47 0.59 -0.25 1.22 2.07 -0.88 -2.50 116.25 116.03 3dwc h VAL 157 Ca -0.03 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3dwc h VAL 157 Cb 0.97 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3dwc h VAL 157 CO 0.05 0.09 0.27 -0.78 0.02 0.00 0.00 177.57 177.22 3dwc h ASP 158 N 0.47 0.00 -0.60 0.57 3.58 -1.22 0.27 116.42 119.48 3dwc h ASP 158 Ca 0.49 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.89 3dwc h ASP 158 Cb 0.83 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 3dwc h ASP 158 CO -0.45 0.00 0.16 0.40 -2.88 0.00 0.00 179.24 176.46 3dwc h ILE 159 N 0.00 1.25 0.00 2.25 2.04 -1.52 -2.82 117.51 118.71 3dwc h ILE 159 Ca 0.12 -0.89 -0.24 0.00 1.00 0.00 0.00 64.86 64.85 3dwc h ILE 159 Cb 0.66 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3dwc h ILE 159 CO -0.00 0.33 -1.99 -1.22 0.00 0.00 0.00 178.15 175.27 3dwc n TYR 160 N -4.36 0.36 -3.44 1.37 4.01 -0.76 -4.69 117.16 109.64 3dwc n TYR 160 Ca 0.03 0.12 -0.27 0.00 -0.16 0.00 0.00 57.90 57.63 3dwc n TYR 160 Cb 0.23 -0.95 -0.10 0.00 -0.31 0.00 0.00 39.34 38.22 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 -2.72 0.70 -1.63 -0.72 4.07 0.01 -1.52 120.64 118.83 3dwc n GLU 161 Ca -0.20 -3.49 -0.49 0.00 -0.06 0.00 0.00 57.16 52.92 3dwc n GLU 161 Cb 0.95 -1.72 -0.05 0.00 -0.06 0.00 0.00 31.44 30.56 3dwc n GLU 161 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3dwc n PRO 162 N 2.30 1.63 -0.13 5.31 -0.04 -1.07 -1.52 135.00 141.48 3dwc n PRO 162 Ca 0.27 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 3dwc n PRO 162 Cb 0.46 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3dwc n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dwc n GLY 163 N 2.95 1.87 3.71 0.55 0.00 -1.26 -4.80 105.19 108.21 3dwc n GLY 163 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.30 4.45 0.17 1.61 0.00 -0.58 -5.05 119.30 119.61 3dwc s MET 164 Ca 0.00 1.72 0.05 0.00 0.00 0.00 0.00 55.69 57.45 3dwc s MET 164 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 34.83 31.43 3dwc s MET 164 CO 0.00 -0.23 0.19 0.95 0.00 0.00 0.00 175.02 175.93 3dwc s THR 165 N 1.05 4.71 0.38 10.11 -4.23 -1.26 -4.58 115.64 121.83 3dwc s THR 165 Ca 0.58 -1.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.17 3dwc s THR 165 Cb -0.28 -3.44 0.12 0.00 1.34 0.00 0.00 72.50 70.24 3dwc s THR 165 CO 0.29 -0.14 1.86 -0.07 -0.54 0.00 0.00 174.62 176.02 3dwc h LEU 166 N 2.18 0.12 -0.12 4.79 4.07 -1.96 -1.40 115.31 122.98 3dwc h LEU 166 Ca -0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.43 3dwc h LEU 166 Cb 1.20 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 3dwc h LEU 166 CO 0.64 0.39 0.03 -0.61 -1.08 0.00 0.00 178.44 177.81 3dwc h GLN 167 N 0.11 0.20 -0.65 1.13 4.15 -1.98 0.77 115.11 118.84 3dwc h GLN 167 Ca 0.02 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3dwc h GLN 167 Cb 0.53 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 3dwc h GLN 167 CO 0.04 0.37 0.29 -0.09 -1.93 0.00 0.00 178.83 177.51 3dwc h ARG 168 N -0.01 0.93 -0.65 1.69 9.65 -1.91 -1.07 114.38 123.01 3dwc h ARG 168 Ca 0.04 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 3dwc h ARG 168 Cb 0.26 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 3dwc h ARG 168 CO 0.00 0.73 0.16 -0.07 2.80 0.00 0.00 179.97 183.60 3dwc h LEU 169 N 0.92 0.98 -0.86 3.80 3.38 -1.04 -1.23 115.31 121.26 3dwc h LEU 169 Ca 0.22 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3dwc h LEU 169 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3dwc h LEU 169 CO -0.03 0.96 -0.13 0.44 0.09 0.00 0.00 178.44 179.77 3dwc h ASP 170 N 0.96 0.69 -0.74 -0.43 3.45 -0.57 -1.18 116.42 118.61 3dwc h ASP 170 Ca 0.20 -0.21 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 3dwc h ASP 170 Cb 0.36 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.91 3dwc h ASP 170 CO 0.00 0.85 0.34 -0.33 -1.57 0.00 0.00 179.24 178.53 3dwc h GLU 171 N 0.64 1.07 -0.03 3.56 5.08 -0.75 -1.62 114.58 122.53 3dwc h GLU 171 Ca 0.11 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dwc h GLU 171 Cb 0.59 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dwc h GLU 171 CO 0.04 0.85 -0.01 0.82 -1.00 0.00 0.00 179.01 179.71 3dwc h ILE 172 N 1.04 1.30 0.00 3.13 2.04 -1.02 -1.90 117.51 122.09 3dwc h ILE 172 Ca 0.25 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 3dwc h ILE 172 Cb 0.14 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3dwc h ILE 172 CO -0.03 0.24 -0.32 -0.26 0.00 0.00 0.00 178.15 177.79 3dwc h PHE 173 N -0.31 0.00 -0.51 1.37 0.04 -1.27 -1.68 116.94 114.59 3dwc h PHE 173 Ca 0.01 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 3dwc h PHE 173 Cb 0.39 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 3dwc h PHE 173 CO 0.06 0.32 -0.12 0.78 -0.60 0.00 0.00 178.31 178.74 3dwc h GLY 174 N 1.85 1.04 0.93 -1.45 0.00 -1.24 -1.22 103.07 102.97 3dwc h GLY 174 Ca -0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 3dwc h GLY 174 CO 0.04 0.76 -0.08 -0.57 0.00 0.00 0.00 176.54 176.69 3dwc h ASN 175 N 0.85 -0.19 -0.71 0.19 -0.73 -0.99 -2.39 115.58 111.61 3dwc h ASN 175 Ca 0.13 -0.05 0.12 0.00 1.87 0.00 0.00 56.30 58.37 3dwc h ASN 175 Cb 0.67 0.05 -0.08 0.00 0.27 0.00 0.00 38.32 39.22 3dwc h ASN 175 CO 0.05 -0.07 0.29 0.58 -0.37 0.00 0.00 177.43 177.91 3dwc h VAL 176 N -0.30 0.72 0.00 2.57 2.07 -1.16 0.91 116.25 121.07 3dwc h VAL 176 Ca -0.02 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3dwc h VAL 176 Cb 0.23 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3dwc h VAL 176 CO 0.04 0.09 -0.03 0.03 0.02 0.00 0.00 177.57 177.71 3dwc h ARG 177 N 0.47 0.00 0.00 1.57 3.08 -1.13 0.52 114.38 118.89 3dwc h ARG 177 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3dwc h ARG 177 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3dwc h ARG 177 CO -0.35 0.03 0.00 0.66 -1.07 0.00 0.00 179.97 179.24 3dwc h SER 178 N 0.00 0.00 0.00 7.04 4.64 -0.28 -3.40 113.55 121.55 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 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3dwc h SER 178 CO 0.00 0.00 -0.42 -2.67 -0.87 0.00 0.00 176.83 172.88 3dwc n TRP 179 N -2.85 0.00 -0.22 4.77 4.27 -1.07 -4.90 117.44 117.43 3dwc n TRP 179 Ca 0.03 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.57 3dwc n TRP 179 Cb 0.39 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.37 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 0.74 -0.60 5.67 5.85 -1.11 -1.72 115.31 124.15 3dwc h LEU 180 Ca 0.00 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3dwc h LEU 180 Cb 0.42 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3dwc h LEU 180 CO 0.00 0.59 0.21 -0.65 -0.34 0.00 0.00 178.44 178.25 3dwc h PRO 181 N 0.84 0.92 -0.37 5.25 0.11 -1.80 0.34 132.00 137.29 3dwc h PRO 181 Ca 0.22 -0.18 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 3dwc h PRO 181 Cb -0.02 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 3dwc h PRO 181 CO -0.04 0.80 -0.17 0.93 -0.21 0.00 0.00 178.00 179.32 3dwc h GLU 182 N 0.84 0.69 0.57 1.05 3.07 -1.88 -2.19 114.58 116.73 3dwc h GLU 182 Ca 0.20 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 3dwc h GLU 182 Cb 0.25 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3dwc h GLU 182 CO -0.01 0.82 -0.27 1.25 -1.40 0.00 0.00 179.01 179.39 3dwc h LEU 183 N 0.62 -0.65 -0.13 1.33 5.85 -0.75 0.03 115.31 121.59 3dwc h LEU 183 Ca 0.10 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3dwc h LEU 183 Cb 0.63 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 3dwc h LEU 183 CO 0.04 -0.44 -0.37 0.25 -0.34 0.00 0.00 178.44 177.58 3dwc h LEU 184 N -0.80 -1.16 -0.46 2.25 5.85 -0.94 0.18 115.31 120.22 3dwc h LEU 184 Ca -0.08 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.89 3dwc h LEU 184 Cb 0.60 0.48 -0.10 0.00 0.37 0.00 0.00 40.66 42.02 3dwc h LEU 184 CO 0.13 -0.40 -0.28 0.11 -0.34 0.00 0.00 178.44 177.67 3dwc h LYS 185 N -0.45 -0.17 -0.56 1.25 1.57 -1.32 -0.27 116.57 116.62 3dwc h LYS 185 Ca 0.09 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3dwc h LYS 185 Cb 0.59 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.89 3dwc h LYS 185 CO -0.38 -0.11 0.30 1.49 -0.57 0.00 0.00 179.45 180.18 3dwc h GLU 186 N -0.18 0.56 -0.55 3.15 4.81 -0.45 -2.31 114.58 119.62 3dwc h GLU 186 Ca 0.21 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3dwc h GLU 186 Cb 0.51 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3dwc h GLU 186 CO -0.57 0.37 0.14 0.28 -0.73 0.00 0.00 179.01 178.50 3dwc h VAL 187 N 0.58 1.24 -0.29 0.32 2.07 0.69 0.11 116.25 120.98 3dwc h VAL 187 Ca 0.25 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3dwc h VAL 187 Cb 0.14 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3dwc h VAL 187 CO -0.16 0.32 0.16 1.56 0.02 0.00 0.00 177.57 179.47 3dwc h GLN 188 N 0.77 0.40 -0.15 1.57 4.20 -0.87 0.15 115.11 121.17 3dwc h GLN 188 Ca 0.17 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 3dwc h GLN 188 Cb 0.33 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3dwc h GLN 188 CO 0.00 0.34 -0.58 1.05 -0.67 0.00 0.00 178.83 178.97 3dwc h GLU 189 N 0.35 0.49 0.26 1.46 4.11 -1.21 0.29 114.58 120.33 3dwc h GLU 189 Ca 0.10 -0.32 0.01 0.00 0.07 0.00 0.00 59.36 59.22 3dwc h GLU 189 Cb 0.05 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3dwc h GLU 189 CO -0.02 0.93 -0.36 -0.22 0.07 0.00 0.00 179.01 179.41 3dwc h LYS 190 N 0.37 -0.66 -0.42 1.06 3.64 -0.62 -1.37 116.57 118.58 3dwc h LYS 190 Ca 0.00 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3dwc h LYS 190 Cb 1.12 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 3dwc h LYS 190 CO 0.10 -0.44 0.14 1.96 -2.27 0.00 0.00 179.45 178.95 3dwc h GLN 191 N -0.68 0.29 -0.64 1.90 4.20 -0.43 -2.09 115.11 117.65 3dwc h GLN 191 Ca -0.00 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3dwc h GLN 191 Cb 0.65 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3dwc h GLN 191 CO -0.13 0.19 0.15 -0.22 -0.67 0.00 0.00 178.83 178.15 3dwc h LYS 192 N 0.30 1.01 -0.59 1.46 3.64 -0.91 -0.77 116.57 120.71 3dwc h LYS 192 Ca 0.20 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3dwc h LYS 192 Cb 0.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3dwc h LYS 192 CO -0.21 0.90 -0.00 0.00 -2.27 0.00 0.00 179.45 177.87 3dwc h ALA 193 N 1.19 0.80 -0.25 5.00 0.00 -0.98 -3.14 119.26 121.89 3dwc h ALA 193 Ca 0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 3dwc h ALA 193 Cb 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dwc h ALA 193 CO 0.00 0.64 -0.54 -0.07 0.00 0.00 0.00 179.25 179.29 3dwc h LEU 194 N 0.94 0.81 -1.36 0.00 3.38 -1.20 -3.48 115.31 114.41 3dwc h LEU 194 Ca 0.17 -0.43 -0.47 0.00 0.09 0.00 0.00 57.88 57.24 3dwc h LEU 194 Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3dwc h LEU 194 CO 0.03 1.19 -0.80 0.61 0.09 0.00 0.00 178.44 179.56 3dwc n GLY 195 N 0.30 -0.39 3.77 0.83 0.00 -0.31 -4.91 105.19 104.47 3dwc n GLY 195 Ca -0.04 0.16 -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 -6.45 4.24 0.05 1.61 2.02 -1.26 -4.97 118.70 113.95 3dwc s GLU 196 Ca 0.38 2.37 -0.31 0.00 0.02 0.00 0.00 54.97 57.44 3dwc s GLU 196 Cb -0.19 -3.04 -0.06 0.00 0.10 0.00 0.00 34.13 30.94 3dwc s GLU 196 CO 0.84 -0.37 1.31 0.99 0.02 0.00 0.00 175.26 178.05 3dwc s THR 197 N -0.88 3.76 -0.12 3.63 2.01 -1.26 -5.03 115.64 117.75 3dwc s THR 197 Ca 0.53 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.78 3dwc s THR 197 Cb -0.43 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.31 3dwc s THR 197 CO 0.55 0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.65 3dwc s VAL 198 N 1.52 1.85 -0.30 3.82 1.01 -1.26 -5.00 120.40 122.04 3dwc s VAL 198 Ca 0.61 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 3dwc s VAL 198 Cb -0.32 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3dwc s VAL 198 CO 0.28 0.51 0.17 -0.76 0.00 0.00 0.00 175.10 175.30 3dwc s LEU 199 N 0.78 4.08 0.05 3.92 1.43 -1.26 -5.07 118.68 122.61 3dwc s LEU 199 Ca -0.09 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 3dwc s LEU 199 Cb -0.16 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3dwc s LEU 199 CO 0.00 -0.14 1.13 -1.61 0.23 0.00 0.00 176.35 175.96 3dwc s GLU 200 N 1.68 4.48 0.32 1.70 0.41 -1.26 -4.76 118.70 121.26 3dwc s GLU 200 Ca 0.06 1.67 -0.28 0.00 -0.41 0.00 0.00 54.97 56.00 3dwc s GLU 200 Cb -0.17 -3.37 -0.13 0.00 -1.78 0.00 0.00 34.13 28.68 3dwc s GLU 200 CO 0.08 -0.18 1.26 -2.30 -0.49 0.00 0.00 175.26 173.63 3dwc n PRO 201 N 3.82 2.00 -3.77 0.39 -0.02 -1.26 -4.89 135.00 131.27 3dwc n PRO 201 Ca 0.08 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 3dwc n PRO 201 Cb 0.48 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 3dwc n PRO 201 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dwc s LYS 202 N -1.68 3.37 0.00 -0.52 2.47 -1.26 -4.95 119.74 117.17 3dwc s LYS 202 Ca 0.57 -0.67 0.00 0.00 -1.56 0.00 0.00 55.97 54.32 3dwc s LYS 202 Cb -0.60 -3.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.46 3dwc s LYS 202 CO 0.61 -0.31 0.00 0.41 0.16 0.00 0.00 175.35 176.22 3dwc n GLY 203 N 4.89 -1.12 3.75 5.54 0.00 -1.26 -4.86 105.19 112.12 3dwc n GLY 203 Ca -0.16 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 3dwc n GLY 203 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dwc s PRO 204 N -1.08 3.15 -0.38 1.61 0.02 -1.26 -5.09 135.00 131.96 3dwc s PRO 204 Ca 0.00 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.09 3dwc s PRO 204 Cb 0.00 -2.19 0.10 0.00 0.02 0.00 0.00 34.50 32.43 3dwc s PRO 204 CO 0.00 -1.14 0.15 -0.06 -0.33 0.00 0.00 177.00 175.63 3dwc s PHE 205 N -1.39 3.57 0.17 6.54 0.40 0.15 -5.02 117.98 122.40 3dwc s PHE 205 Ca 0.72 -2.41 -0.33 0.00 -0.60 0.00 0.00 56.93 54.30 3dwc s PHE 205 Cb -0.37 -3.03 -0.15 0.00 0.51 0.00 0.00 43.02 39.99 3dwc s PHE 205 CO 0.43 -0.94 1.35 -2.30 0.70 0.00 0.00 175.22 174.45 3dwc n PRO 206 N 4.55 1.59 0.23 0.24 -0.02 -1.26 -4.30 135.00 136.02 3dwc n PRO 206 Ca -0.03 0.57 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3dwc n PRO 206 Cb 0.42 -2.20 0.55 0.00 -0.02 0.00 0.00 33.50 32.25 3dwc n PRO 206 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3dwc h VAL 207 N 3.11 0.90 -0.53 -1.45 -1.51 -1.96 -1.28 116.25 113.53 3dwc h VAL 207 Ca -0.45 -0.81 -0.09 0.00 -1.23 0.00 0.00 66.70 64.12 3dwc h VAL 207 Cb 1.31 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 31.92 3dwc h VAL 207 CO 0.77 0.21 -0.03 0.77 -1.23 0.00 0.00 177.57 178.06 3dwc h SER 208 N 0.00 0.90 -0.29 4.19 4.64 -1.99 -1.07 113.55 119.93 3dwc h SER 208 Ca -0.00 -0.25 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 3dwc h SER 208 Cb 0.46 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3dwc h SER 208 CO 0.03 0.98 -0.21 0.11 -0.87 0.00 0.00 176.83 176.86 3dwc h LYS 209 N 0.84 0.66 -0.40 4.77 1.57 -1.69 -1.88 116.57 120.45 3dwc h LYS 209 Ca 0.15 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3dwc h LYS 209 Cb 0.54 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3dwc h LYS 209 CO 0.03 0.92 0.24 1.96 -0.57 0.00 0.00 179.45 182.03 3dwc h GLN 210 N 0.41 0.48 -0.48 3.15 4.20 -1.12 -1.49 115.11 120.26 3dwc h GLN 210 Ca 0.06 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3dwc h GLN 210 Cb 0.76 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 3dwc h GLN 210 CO 0.06 0.32 0.27 1.49 -0.67 0.00 0.00 178.83 180.30 3dwc h GLU 211 N 0.49 0.52 -0.63 1.46 4.81 -1.16 -0.17 114.58 119.91 3dwc h GLU 211 Ca 0.15 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3dwc h GLU 211 Cb -0.02 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3dwc h GLU 211 CO -0.06 0.35 0.39 0.00 -0.73 0.00 0.00 179.01 178.95 3dwc h ALA 212 N 1.23 0.82 -0.31 2.92 0.00 -0.91 -0.80 119.26 122.21 3dwc h ALA 212 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dwc h ALA 212 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dwc h ALA 212 CO -0.11 0.13 0.16 1.25 0.00 0.00 0.00 179.25 180.68 3dwc h LEU 213 N 0.76 0.39 -0.16 0.00 5.85 -1.04 -1.15 115.31 119.96 3dwc h LEU 213 Ca 0.25 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3dwc h LEU 213 Cb 0.02 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3dwc h LEU 213 CO -0.10 0.39 0.10 0.00 -0.34 0.00 0.00 178.44 178.48 3dwc h ARG 215 N 0.20 1.08 -0.52 0.00 3.08 -1.06 -1.27 114.38 115.88 3dwc h ARG 215 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3dwc h ARG 215 Cb -0.01 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 3dwc h ARG 215 CO -0.02 0.71 0.30 0.35 -1.07 0.00 0.00 179.97 180.24 3dwc h PHE 216 N 1.11 0.71 0.00 3.04 3.57 -0.65 -1.41 116.94 123.30 3dwc h PHE 216 Ca 0.42 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.83 3dwc h PHE 216 Cb 0.21 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3dwc h PHE 216 CO -0.00 0.50 -0.40 0.74 -2.23 0.00 0.00 178.31 176.92 3dwc h PHE 217 N 0.70 0.00 -0.75 0.41 0.04 -0.75 -1.40 116.94 115.19 3dwc h PHE 217 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3dwc h PHE 217 Cb 0.02 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 3dwc h PHE 217 CO -0.02 0.40 0.47 0.52 -0.60 0.00 0.00 178.31 179.09 3dwc h MET 218 N 0.00 1.00 -0.94 1.51 2.86 -0.93 -1.85 114.93 116.58 3dwc h MET 218 Ca -0.00 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3dwc h MET 218 Cb 0.75 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 3dwc h MET 218 CO 0.05 0.69 0.62 -0.44 1.06 0.00 0.00 176.91 178.89 3dwc h ASP 219 N 1.02 1.07 -0.86 1.22 3.32 -0.79 -0.31 116.42 121.09 3dwc h ASP 219 Ca 0.27 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.37 3dwc h ASP 219 Cb -0.07 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.15 3dwc h ASP 219 CO -0.05 0.77 0.52 0.58 -1.72 0.00 0.00 179.24 179.33 3dwc h VAL 220 N 1.26 1.00 -0.03 -1.35 2.07 -0.91 -0.65 116.25 117.64 3dwc h VAL 220 Ca 0.35 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3dwc h VAL 220 Cb -0.12 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 3dwc h VAL 220 CO -0.09 0.17 0.00 0.79 0.02 0.00 0.00 177.57 178.46 3dwc n TRP 221 N -4.65 0.04 -3.68 1.57 8.01 -0.73 -4.54 117.44 113.46 3dwc n TRP 221 Ca 0.13 -0.02 -0.28 0.00 -1.31 0.00 0.00 57.50 56.02 3dwc n TRP 221 Cb 0.21 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.54 3dwc n TRP 221 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3dwc n LYS 222 N -0.56 -5.36 -1.65 -0.99 5.02 -0.25 -4.92 118.16 109.45 3dwc n LYS 222 Ca 0.15 0.64 -0.47 0.00 -2.02 0.00 0.00 58.31 56.61 3dwc n LYS 222 Cb 0.12 -5.52 -0.04 0.00 -0.02 0.00 0.00 35.03 29.57 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 -4.58 2.10 -2.69 2.13 7.35 -0.20 -4.92 117.46 116.65 3dwc n PHE 223 Ca 0.01 0.36 -0.42 0.00 -0.76 0.00 0.00 57.45 56.64 3dwc n PHE 223 Cb 0.54 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.85 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 0.78 6.21 0.00 -2.13 2.15 -1.26 -4.77 116.67 117.65 3dwc s ASP 224 Ca 0.79 -0.81 0.20 0.00 0.43 0.00 0.00 52.55 53.16 3dwc s ASP 224 Cb -0.74 -2.50 0.91 0.00 -0.30 0.00 0.00 42.92 40.30 3dwc s ASP 224 CO 0.40 -1.63 1.62 0.49 -0.17 0.00 0.00 175.17 175.89 3dwc n PHE 225 N 8.57 0.00 0.83 -5.34 3.01 -1.26 -1.33 117.46 121.93 3dwc n PHE 225 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.63 3dwc n PHE 225 Cb 0.48 -0.39 0.51 0.00 -0.01 0.00 0.00 39.48 40.07 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 -1.39 0.39 -1.22 4.37 10.43 -1.26 -4.05 116.55 123.81 3dwc n ASP 226 Ca 0.07 0.52 0.01 0.00 2.57 0.00 0.00 54.79 57.96 3dwc n ASP 226 Cb 0.19 -0.62 0.12 0.00 1.84 0.00 0.00 41.12 42.66 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 1.41 3.98 0.00 0.44 0.00 -0.44 -5.00 105.19 105.58 3dwc n GLY 227 Ca 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.59 0.14 3.14 -0.02 0.00 -1.05 -1.69 105.19 105.11 3dwc n GLY 228 Ca 0.18 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 0.71 -0.11 1.61 0.52 -0.14 -4.64 118.95 114.91 3dwc s ARG 229 Ca 0.00 -1.03 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 3dwc s ARG 229 Cb 0.00 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 3dwc s ARG 229 CO 0.00 -0.18 -0.14 -1.17 0.02 0.00 0.00 175.30 173.83 3dwc s LEU 230 N -2.77 2.70 0.31 2.53 2.96 -1.26 -1.03 118.68 122.13 3dwc s LEU 230 Ca 0.04 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3dwc s LEU 230 Cb 0.05 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 3dwc s LEU 230 CO -0.10 0.22 0.36 -1.81 -1.32 0.00 0.00 176.35 173.70 3dwc s ASP 231 N 0.03 0.97 -0.12 3.68 1.01 -0.44 -4.98 116.67 116.82 3dwc s ASP 231 Ca -0.05 -1.52 -0.06 0.00 0.71 0.00 0.00 52.55 51.64 3dwc s ASP 231 Cb -0.14 0.58 -0.04 0.00 1.01 0.00 0.00 42.92 44.33 3dwc s ASP 231 CO 0.04 -1.14 0.09 -0.69 0.21 0.00 0.00 175.17 173.68 3dwc s VAL 232 N -3.42 5.09 0.13 -1.27 1.01 -1.26 -0.92 120.40 119.76 3dwc s VAL 232 Ca 0.35 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 3dwc s VAL 232 Cb 0.02 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 3dwc s VAL 232 CO 0.21 0.59 0.25 -0.94 0.00 0.00 0.00 175.10 175.21 3dwc s SER 233 N -0.77 0.05 0.39 3.32 1.04 -0.33 -4.64 113.70 112.76 3dwc s SER 233 Ca 0.13 -0.72 0.08 0.00 0.48 0.00 0.00 55.95 55.92 3dwc s SER 233 Cb -0.12 0.40 0.84 0.00 0.10 0.00 0.00 66.02 67.24 3dwc s SER 233 CO 0.03 -0.82 2.00 0.00 0.98 0.00 0.00 173.24 175.43 3dwc h ALA 234 N 2.62 1.77 -3.23 5.32 0.00 -1.86 -3.36 119.26 120.52 3dwc h ALA 234 Ca -0.33 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.07 3dwc h ALA 234 Cb 1.22 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 3dwc h ALA 234 CO 0.52 0.15 -0.76 -1.01 0.00 0.00 0.00 179.25 178.14 3dwc s HIS 235 N -5.55 0.79 0.13 0.00 3.76 -1.26 -4.93 115.29 108.23 3dwc s HIS 235 Ca -0.09 -0.57 -0.35 0.00 -0.15 0.00 0.00 55.06 53.90 3dwc s HIS 235 Cb 0.19 -0.91 -0.15 0.00 1.11 0.00 0.00 32.58 32.82 3dwc s HIS 235 CO 0.75 -0.51 1.45 -2.30 -0.85 0.00 0.00 174.74 173.28 3dwc n PRO 236 N 5.11 1.66 -4.00 8.40 -0.02 -1.26 -4.93 135.00 139.97 3dwc n PRO 236 Ca -0.08 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3dwc n PRO 236 Cb 0.48 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3dwc n PRO 236 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3dwc s PHE 237 N 0.62 0.47 -0.19 6.00 -0.12 -1.24 -4.96 117.98 118.55 3dwc s PHE 237 Ca 0.80 -0.84 0.01 0.00 -0.05 0.00 0.00 56.93 56.85 3dwc s PHE 237 Cb -0.80 0.21 0.03 0.00 -0.63 0.00 0.00 43.02 41.83 3dwc s PHE 237 CO 0.43 -1.09 -0.17 0.00 -0.05 0.00 0.00 175.22 174.34 3dwc n GLY 239 N 4.59 4.68 7.00 0.00 0.00 -0.18 -5.00 105.19 116.28 3dwc n GLY 239 Ca -0.19 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.65 1.61 5.15 -1.26 -1.76 115.26 114.34 3dwc n ASN 240 Ca 0.00 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.72 3dwc n ASN 240 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 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 4.11 0.45 1.20 0.01 -0.82 -4.92 113.70 109.73 3dwc s SER 241 Ca 0.00 -1.17 0.18 0.00 1.31 0.00 0.00 55.95 56.26 3dwc s SER 241 Cb 0.00 -0.45 1.08 0.00 0.21 0.00 0.00 66.02 66.85 3dwc s SER 241 CO 0.00 -0.41 1.99 0.11 0.41 0.00 0.00 173.24 175.34 3dwc h LYS 242 N 1.69 0.00 -0.00 12.44 1.57 -1.91 -1.14 116.57 129.22 3dwc h LYS 242 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3dwc h LYS 242 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3dwc h LYS 242 CO 0.73 0.20 -0.05 0.39 -0.57 0.00 0.00 179.45 180.15 3dwc n GLU 243 N -4.10 0.51 -2.73 3.15 4.71 -1.26 -4.33 120.64 116.59 3dwc n GLU 243 Ca -0.02 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.16 56.98 3dwc n GLU 243 Cb 0.27 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.26 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 -1.18 -2.53 -4.63 1.62 -0.08 -0.51 -4.58 116.55 104.66 3dwc n ASP 244 Ca 0.14 -3.07 -0.43 0.00 -1.51 0.00 0.00 54.79 49.92 3dwc n ASP 244 Cb 0.25 1.65 -0.02 0.00 2.34 0.00 0.00 41.12 45.34 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 0.53 4.52 -0.22 5.18 1.01 -0.68 -1.95 120.40 128.80 3dwc s VAL 245 Ca 0.29 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.95 3dwc s VAL 245 Cb 0.24 -4.40 0.04 0.00 0.00 0.00 0.00 36.38 32.26 3dwc s VAL 245 CO -0.20 -0.48 -0.14 -0.13 0.00 0.00 0.00 175.10 174.15 3dwc s ARG 246 N 3.62 2.48 0.19 2.72 0.52 -0.73 -0.96 118.95 126.79 3dwc s ARG 246 Ca 0.44 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.67 3dwc s ARG 246 Cb -0.12 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.63 3dwc s ARG 246 CO 0.16 -0.41 0.01 0.96 0.02 0.00 0.00 175.30 176.03 3dwc s ILE 247 N 1.23 3.71 0.17 1.52 -4.36 -0.20 -1.01 121.20 122.26 3dwc s ILE 247 Ca -0.02 -1.48 0.07 0.00 -0.26 0.00 0.00 60.65 58.95 3dwc s ILE 247 Cb -0.17 -2.88 -0.04 0.00 1.25 0.00 0.00 42.46 40.62 3dwc s ILE 247 CO -0.09 -0.15 -0.14 0.42 0.24 0.00 0.00 174.94 175.23 3dwc s THR 248 N -1.81 1.51 0.29 8.37 -4.23 -0.48 -1.33 115.64 117.96 3dwc s THR 248 Ca 0.28 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3dwc s THR 248 Cb -0.09 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 71.88 3dwc s THR 248 CO 0.19 -0.56 0.32 0.28 -0.54 0.00 0.00 174.62 174.30 3dwc s THR 249 N -2.76 0.00 0.03 3.99 -1.32 -0.09 -3.68 115.64 111.80 3dwc s THR 249 Ca 0.17 -1.82 0.02 0.00 -1.21 0.00 0.00 61.69 58.86 3dwc s THR 249 Cb -0.01 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3dwc s THR 249 CO 0.04 0.00 -0.08 -0.75 -2.21 0.00 0.00 174.62 171.63 3dwc s LYS 250 N -3.60 0.55 -0.02 7.08 2.20 -1.26 -1.19 119.74 123.50 3dwc s LYS 250 Ca 0.35 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 3dwc s LYS 250 Cb 0.03 -0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 35.91 3dwc s LYS 250 CO 0.19 0.09 -0.21 0.71 -0.36 0.00 0.00 175.35 175.77 3dwc s TYR 251 N -0.91 1.94 -0.02 4.03 1.51 -1.26 -4.69 117.35 117.96 3dwc s TYR 251 Ca -0.05 -0.42 0.05 0.00 -1.01 0.00 0.00 57.07 55.64 3dwc s TYR 251 Cb -0.07 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 3dwc s TYR 251 CO 0.00 -0.07 -0.16 -0.08 -1.11 0.00 0.00 175.55 174.13 3dwc s THR 252 N -0.39 1.28 0.17 -0.71 -1.32 -1.26 -5.05 115.64 108.36 3dwc s THR 252 Ca 0.05 -0.68 0.35 0.00 -1.21 0.00 0.00 61.69 60.19 3dwc s THR 252 Cb -0.09 -1.07 0.38 0.00 -1.51 0.00 0.00 72.50 70.20 3dwc s THR 252 CO 0.00 0.36 2.04 -0.33 -2.21 0.00 0.00 174.62 174.49 3dwc h GLU 253 N 5.81 0.00 0.00 7.08 5.08 -1.98 -3.25 114.58 127.33 3dwc h GLU 253 Ca -0.35 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.86 3dwc h GLU 253 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3dwc h GLU 253 CO 0.48 0.00 -0.90 1.79 -1.00 0.00 0.00 179.01 179.39 3dwc h THR 254 N 0.00 0.89 -3.23 1.13 1.35 -1.95 0.44 112.91 111.53 3dwc h THR 254 Ca 0.00 -2.36 -0.09 0.00 -0.55 0.00 0.00 66.41 63.41 3dwc h THR 254 Cb 0.29 2.37 -0.17 0.00 -1.73 0.00 0.00 68.15 68.92 3dwc h THR 254 CO 0.00 0.50 -0.22 -1.83 -0.25 0.00 0.00 175.52 173.73 3dwc s GLU 255 N -2.90 0.82 -0.00 4.72 4.04 -1.23 -4.17 118.70 119.99 3dwc s GLU 255 Ca 0.01 -0.46 0.01 0.00 0.04 0.00 0.00 54.97 54.57 3dwc s GLU 255 Cb 0.08 0.36 -0.01 0.00 0.02 0.00 0.00 34.13 34.58 3dwc s GLU 255 CO 0.78 -0.27 0.03 1.97 -1.84 0.00 0.00 175.26 175.93 3dwc n PHE 256 N 0.60 0.00 -0.08 4.83 1.16 -1.26 -4.45 117.46 118.26 3dwc n PHE 256 Ca -0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.28 3dwc n PHE 256 Cb 0.59 -0.00 -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 1.28 -0.51 1.97 2.07 -1.97 -1.26 116.25 117.82 3dwc h VAL 257 Ca 0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3dwc h VAL 257 Cb 0.02 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3dwc h VAL 257 CO 0.00 0.32 0.29 0.74 0.02 0.00 0.00 177.57 178.94 3dwc h THR 258 N 0.21 1.17 -0.30 2.57 2.02 -1.98 0.16 112.91 116.76 3dwc h THR 258 Ca 0.06 -0.43 -0.18 0.00 0.77 0.00 0.00 66.41 66.63 3dwc h THR 258 Cb 0.50 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3dwc h THR 258 CO 0.02 0.18 -0.53 -1.28 0.37 0.00 0.00 175.52 174.28 3dwc h SER 259 N 0.69 0.98 0.67 4.18 0.87 -1.82 0.77 113.55 119.89 3dwc h SER 259 Ca 0.18 -0.52 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 3dwc h SER 259 Cb 0.04 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3dwc h SER 259 CO -0.03 1.32 -0.32 0.25 -0.53 0.00 0.00 176.83 177.52 3dwc h LEU 260 N 0.68 -0.77 -1.03 2.23 6.46 -0.83 0.46 115.31 122.52 3dwc h LEU 260 Ca 0.02 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 3dwc h LEU 260 Cb 1.14 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 41.25 3dwc h LEU 260 CO 0.12 -0.55 0.14 -0.07 -0.62 0.00 0.00 178.44 177.47 3dwc h LEU 261 N -0.90 0.79 -0.41 2.25 3.38 -1.01 -0.73 115.31 118.68 3dwc h LEU 261 Ca -0.09 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.80 3dwc h LEU 261 Cb 0.69 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3dwc h LEU 261 CO 0.15 0.76 0.13 1.23 0.09 0.00 0.00 178.44 180.80 3dwc h GLY 262 N 0.97 0.52 1.15 0.83 0.00 -0.73 -0.67 103.07 105.15 3dwc h GLY 262 Ca 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3dwc h GLY 262 CO -0.00 0.01 0.10 -2.08 0.00 0.00 0.00 176.54 174.57 3dwc h VAL 263 N 0.29 1.26 -0.60 4.60 2.07 -0.36 -1.82 116.25 121.68 3dwc h VAL 263 Ca 0.19 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 3dwc h VAL 263 Cb 0.19 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3dwc h VAL 263 CO -0.21 0.38 0.02 0.40 0.02 0.00 0.00 177.57 178.17 3dwc h ILE 264 N 0.97 1.26 0.18 4.57 2.04 -0.97 -0.31 117.51 125.27 3dwc h ILE 264 Ca 0.20 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3dwc h ILE 264 Cb 0.42 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3dwc h ILE 264 CO 0.01 0.41 -0.27 -0.74 0.00 0.00 0.00 178.15 177.56 3dwc h HIS 265 N 0.96 -0.72 -0.41 1.37 2.76 -0.94 -0.45 115.15 117.72 3dwc h HIS 265 Ca 0.17 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3dwc h HIS 265 Cb 0.53 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3dwc h HIS 265 CO 0.04 -0.38 -0.11 0.93 -1.30 0.00 0.00 177.93 177.10 3dwc h GLU 266 N -0.52 0.73 -0.58 5.26 4.39 -1.23 -1.92 114.58 120.71 3dwc h GLU 266 Ca 0.01 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3dwc h GLU 266 Cb 0.51 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3dwc h GLU 266 CO -0.11 0.82 0.33 1.15 -1.16 0.00 0.00 179.01 180.05 3dwc h THR 267 N 0.67 1.17 -0.72 1.13 2.02 -0.95 0.17 112.91 116.40 3dwc h THR 267 Ca 0.11 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 3dwc h THR 267 Cb 0.58 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3dwc h THR 267 CO 0.04 0.18 0.25 1.23 0.37 0.00 0.00 175.52 177.59 3dwc h GLY 268 N 0.86 1.18 0.94 2.16 0.00 -0.28 -0.99 103.07 106.94 3dwc h GLY 268 Ca 0.21 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3dwc h GLY 268 CO -0.04 0.63 0.13 0.45 0.00 0.00 0.00 176.54 177.71 3dwc h HIS 269 N 1.06 0.35 -0.96 5.60 -0.00 -1.15 -3.25 115.15 116.81 3dwc h HIS 269 Ca 0.24 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.62 3dwc h HIS 269 Cb 0.26 -0.11 -0.05 0.00 -0.00 0.00 0.00 27.41 27.51 3dwc h HIS 269 CO 0.02 0.32 0.63 0.00 -0.00 0.00 0.00 177.93 178.91 3dwc h ALA 270 N 1.00 1.37 -0.98 2.45 0.00 -0.24 -2.01 119.26 120.85 3dwc h ALA 270 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dwc h ALA 270 Cb 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3dwc h ALA 270 CO -0.01 0.55 0.65 0.87 0.00 0.00 0.00 179.25 181.31 3dwc h LYS 271 N 1.23 1.28 0.14 0.00 1.79 -1.22 0.19 116.57 119.98 3dwc h LYS 271 Ca 0.38 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 3dwc h LYS 271 Cb -0.02 -0.29 0.00 0.00 -1.58 0.00 0.00 32.23 30.34 3dwc h LYS 271 CO -0.11 0.85 -0.07 -0.92 -1.08 0.00 0.00 179.45 178.12 3dwc h TYR 272 N 1.32 -0.18 -0.78 -1.35 3.20 -1.49 -2.43 116.97 115.27 3dwc h TYR 272 Ca 0.36 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 3dwc h TYR 272 Cb -0.14 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 3dwc h TYR 272 CO -0.00 0.05 0.47 0.93 -1.64 0.00 0.00 178.16 177.97 3dwc h GLU 273 N -0.39 1.06 0.00 1.82 4.39 -1.02 -1.09 114.58 119.35 3dwc h GLU 273 Ca -0.02 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3dwc h GLU 273 Cb 0.31 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3dwc h GLU 273 CO 0.03 0.75 -0.19 1.96 -1.16 0.00 0.00 179.01 180.40 3dwc h GLN 274 N 1.06 0.00 -0.07 2.33 4.20 -0.65 -3.11 115.11 118.87 3dwc h GLN 274 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3dwc h GLN 274 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3dwc h GLN 274 CO -0.05 0.19 0.00 0.09 -0.67 0.00 0.00 178.83 178.39 3dwc n ASN 275 N -3.43 2.39 -4.70 1.46 3.02 -0.92 -4.98 115.26 108.10 3dwc n ASN 275 Ca -0.00 -2.38 -0.42 0.00 -0.03 0.00 0.00 54.58 51.75 3dwc n ASN 275 Cb 0.37 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.32 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 3.70 2.82 3.78 0.00 0.00 -0.60 -4.77 105.19 110.12 3dwc n GLY 277 Ca 0.13 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.62 4.41 0.43 1.61 0.04 -1.21 -2.69 135.00 135.97 3dwc s PRO 278 Ca 0.00 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 3dwc s PRO 278 Cb 0.00 -2.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 3dwc s PRO 278 CO 0.00 0.08 1.39 1.17 0.04 0.00 0.00 177.00 179.68 3dwc n LYS 279 N 0.41 2.21 -0.06 4.56 4.81 -1.26 -1.84 118.16 126.98 3dwc n LYS 279 Ca 0.03 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3dwc n LYS 279 Cb 0.49 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 0.64 1.89 0.49 3.14 0.00 -1.26 -4.87 105.19 105.21 3dwc n GLY 280 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.01 -0.32 1.61 3.01 -0.77 -4.89 117.46 114.11 3dwc n PHE 281 Ca 0.00 -1.39 0.05 0.00 1.01 0.00 0.00 57.45 57.12 3dwc n PHE 281 Cb 0.00 -0.23 0.21 0.00 -0.01 0.00 0.00 39.48 39.45 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 0.78 0.83 -0.48 -1.08 3.07 -1.90 -0.97 114.58 114.84 3dwc h GLU 282 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3dwc h GLU 282 Cb 1.01 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3dwc h GLU 282 CO 0.00 0.55 0.00 0.25 -1.40 0.00 0.00 179.01 178.41 3dwc n THR 283 N -4.71 0.72 -4.22 1.13 -2.24 -1.26 -4.84 114.28 98.85 3dwc n THR 283 Ca 0.16 -0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 3dwc n THR 283 Cb 0.33 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.53 2.34 0.37 -0.78 -1.52 -0.37 -3.93 119.66 114.24 3dwc s GLN 284 Ca 0.28 -1.15 0.27 0.00 -1.95 0.00 0.00 55.36 52.82 3dwc s GLN 284 Cb 0.16 -2.31 1.15 0.00 -0.22 0.00 0.00 33.01 31.79 3dwc s GLN 284 CO 0.17 0.45 1.82 -1.00 -0.25 0.00 0.00 175.29 176.48 3dwc h PRO 285 N 2.69 0.00 0.00 2.91 0.13 -1.89 -0.50 132.00 135.34 3dwc h PRO 285 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3dwc h PRO 285 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dwc h PRO 285 CO 0.57 0.00 -0.15 -0.24 -0.23 0.00 0.00 178.00 177.95 3dwc h VAL 286 N 0.00 0.96 -1.99 1.56 3.04 -1.86 -3.30 116.25 114.67 3dwc h VAL 286 Ca 0.00 -0.55 -0.77 0.00 -1.01 0.00 0.00 66.70 64.36 3dwc h VAL 286 Cb 0.39 1.31 -0.20 0.00 -2.01 0.00 0.00 31.29 30.79 3dwc h VAL 286 CO 0.00 0.15 1.54 0.00 -1.01 0.00 0.00 177.57 178.25 3dwc s MET 288 N -0.45 0.63 0.54 0.00 -1.94 -1.24 -4.81 119.30 112.02 3dwc s MET 288 Ca 0.37 -0.81 -0.20 0.00 -1.71 0.00 0.00 55.69 53.34 3dwc s MET 288 Cb 0.06 0.25 -0.07 0.00 2.01 0.00 0.00 34.83 37.07 3dwc s MET 288 CO 0.03 -0.16 0.86 0.00 -0.01 0.00 0.00 175.02 175.74 3dwc n ALA 289 N 0.61 -0.18 -0.11 3.03 0.00 -1.26 -1.73 120.51 120.87 3dwc n ALA 289 Ca -0.18 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 3dwc n ALA 289 Cb 0.59 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 0.72 0.74 -2.33 0.00 9.65 -1.97 -3.43 114.38 117.75 3dwc h ARG 290 Ca -0.46 -0.34 0.14 0.00 -1.10 0.00 0.00 59.98 58.21 3dwc h ARG 290 Cb 1.37 -0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.82 3dwc h ARG 290 CO 0.52 0.96 0.48 -1.54 2.80 0.00 0.00 179.97 183.18 3dwc s SER 291 N -6.49 -0.29 0.35 -3.80 1.04 -1.26 -4.68 113.70 98.58 3dwc s SER 291 Ca -0.12 -0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.19 3dwc s SER 291 Cb 0.09 0.44 0.66 0.00 0.10 0.00 0.00 66.02 67.31 3dwc s SER 291 CO 0.83 -0.76 1.87 -0.07 0.98 0.00 0.00 173.24 176.09 3dwc h LEU 292 N 2.00 0.36 0.01 2.42 3.38 -1.64 -0.59 115.31 121.26 3dwc h LEU 292 Ca -0.23 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3dwc h LEU 292 Cb 1.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3dwc h LEU 292 CO 0.29 0.50 -0.03 1.23 0.09 0.00 0.00 178.44 180.52 3dwc h GLY 293 N 0.82 -0.03 1.23 0.83 0.00 -1.78 0.12 103.07 104.26 3dwc h GLY 293 Ca 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 3dwc h GLY 293 CO 0.02 -0.03 0.24 -2.08 0.00 0.00 0.00 176.54 174.69 3dwc h VAL 294 N -0.05 1.23 0.18 4.60 2.07 -1.85 -0.77 116.25 121.66 3dwc h VAL 294 Ca 0.01 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3dwc h VAL 294 Cb 0.06 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3dwc h VAL 294 CO -0.02 0.30 -0.09 -0.74 0.02 0.00 0.00 177.57 177.04 3dwc h HIS 295 N 0.95 -0.22 0.00 1.57 6.17 -0.87 -1.68 115.15 121.06 3dwc h HIS 295 Ca 0.22 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.27 3dwc h HIS 295 Cb 0.22 0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.22 3dwc h HIS 295 CO 0.02 -0.04 -0.11 1.49 0.71 0.00 0.00 177.93 180.00 3dwc h GLU 296 N -0.36 0.00 -0.58 5.26 4.57 -0.76 -1.32 114.58 121.38 3dwc h GLU 296 Ca -0.02 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3dwc h GLU 296 Cb 0.28 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 3dwc h GLU 296 CO 0.04 0.11 0.32 0.78 -1.18 0.00 0.00 179.01 179.07 3dwc h GLY 297 N 0.83 0.86 1.10 1.92 0.00 -0.25 0.01 103.07 107.54 3dwc h GLY 297 Ca -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 47.33 46.73 3dwc h GLY 297 CO 0.01 0.36 -0.87 1.46 0.00 0.00 0.00 176.54 177.50 3dwc h GLN 298 N 0.81 0.66 -0.49 4.80 1.08 -0.59 -0.82 115.11 120.57 3dwc h GLN 298 Ca 0.21 -0.66 -0.08 0.00 -1.45 0.00 0.00 58.65 56.67 3dwc h GLN 298 Cb 0.02 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 3dwc h GLN 298 CO -0.03 1.26 -0.01 0.66 -0.95 0.00 0.00 178.83 179.75 3dwc h SER 299 N 0.32 0.86 1.27 1.46 4.64 -1.38 -2.69 113.55 118.03 3dwc h SER 299 Ca -0.10 -0.31 -0.08 0.00 -0.47 0.00 0.00 61.79 60.83 3dwc h SER 299 Cb 1.53 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3dwc h SER 299 CO 0.17 0.96 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.63 3dwc h LEU 300 N 0.73 0.00 -0.18 5.97 3.38 -1.07 0.05 115.31 124.19 3dwc h LEU 300 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dwc h LEU 300 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3dwc h LEU 300 CO 0.03 0.39 0.12 0.15 0.09 0.00 0.00 178.44 179.22 3dwc h PHE 301 N 0.00 0.23 0.62 1.13 3.57 -1.10 0.99 116.94 122.39 3dwc h PHE 301 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3dwc h PHE 301 Cb 1.14 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.80 3dwc h PHE 301 CO 0.00 0.17 -0.30 0.00 -2.23 0.00 0.00 178.31 175.95 3dwc h ALA 302 N 1.05 -0.84 -0.01 2.41 0.00 -1.33 -1.18 119.26 119.36 3dwc h ALA 302 Ca 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3dwc h ALA 302 Cb -0.01 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dwc h ALA 302 CO -0.01 -0.95 -0.11 1.49 0.00 0.00 0.00 179.25 179.66 3dwc h GLU 303 N -0.88 0.09 0.02 0.00 4.81 -0.99 0.82 114.58 118.45 3dwc h GLU 303 Ca -0.09 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 58.74 3dwc h GLU 303 Cb 0.66 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 3dwc h GLU 303 CO 0.14 0.82 -1.74 -1.33 -0.73 0.00 0.00 179.01 176.17 3dwc n MET 304 N -4.63 0.61 -0.06 1.92 2.81 0.26 -1.68 117.12 116.35 3dwc n MET 304 Ca -0.09 0.43 -0.13 0.00 -1.81 0.00 0.00 57.70 56.10 3dwc n MET 304 Cb 0.43 -1.67 -0.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 -0.73 0.79 0.00 0.03 1.08 -1.07 -3.24 115.11 111.96 3dwc h GLN 305 Ca -0.45 -0.47 -0.10 0.00 -1.45 0.00 0.00 58.65 56.17 3dwc h GLN 305 Cb 1.55 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 29.00 3dwc h GLN 305 CO -0.19 1.10 -1.19 -0.89 -0.95 0.00 0.00 178.83 176.71 3dwc n ILE 306 N -4.01 1.49 0.29 2.54 5.41 -0.47 -4.55 119.36 120.06 3dwc n ILE 306 Ca -0.03 0.05 0.16 0.00 1.00 0.00 0.00 62.75 63.93 3dwc n ILE 306 Cb 0.60 -2.25 0.91 0.00 -0.71 0.00 0.00 39.64 38.18 3dwc n ILE 306 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dwc h GLY 307 N -1.00 0.00 -1.61 7.39 0.00 -0.43 -2.47 103.07 104.95 3dwc h GLY 307 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3dwc h GLY 307 CO -0.09 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.99 3dwc n ARG 308 N -3.59 2.99 -2.46 4.80 1.74 -0.68 -4.86 116.66 114.59 3dwc n ARG 308 Ca -0.02 -2.40 -0.30 0.00 -0.77 0.00 0.00 57.85 54.36 3dwc n ARG 308 Cb 0.14 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.26 6.37 0.23 0.55 1.04 -0.93 -4.80 113.70 114.90 3dwc s SER 309 Ca 0.33 1.19 -0.05 0.00 0.48 0.00 0.00 55.95 57.90 3dwc s SER 309 Cb 0.21 -2.36 0.24 0.00 0.10 0.00 0.00 66.02 64.21 3dwc s SER 309 CO 0.15 -0.61 1.74 1.23 0.98 0.00 0.00 173.24 176.74 3dwc h GLY 310 N 0.44 1.03 0.98 7.32 0.00 -1.95 -2.69 103.07 108.20 3dwc h GLY 310 Ca -0.46 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.22 3dwc h GLY 310 CO 0.62 0.62 0.59 0.00 0.00 0.00 0.00 176.54 178.38 3dwc h ALA 311 N 1.18 1.15 0.00 3.60 0.00 -1.93 -1.53 119.26 121.74 3dwc h ALA 311 Ca 0.18 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3dwc h ALA 311 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dwc h ALA 311 CO 0.01 0.52 -0.31 0.35 0.00 0.00 0.00 179.25 179.82 3dwc h PHE 312 N 1.20 0.00 -0.12 0.00 3.57 -1.70 -2.60 116.94 117.28 3dwc h PHE 312 Ca 0.34 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 3dwc h PHE 312 Cb -0.11 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3dwc h PHE 312 CO -0.01 0.31 -0.30 0.52 -2.23 0.00 0.00 178.31 176.61 3dwc h MET 313 N 0.00 0.23 -0.37 1.11 2.86 -1.09 0.21 114.93 117.89 3dwc h MET 313 Ca -0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3dwc h MET 313 Cb 0.56 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3dwc h MET 313 CO 0.04 0.51 0.23 0.93 1.06 0.00 0.00 176.91 179.68 3dwc h GLU 314 N 0.21 0.49 -0.41 1.72 5.08 -1.15 -0.98 114.58 119.54 3dwc h GLU 314 Ca 0.03 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3dwc h GLU 314 Cb 0.64 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3dwc h GLU 314 CO 0.05 0.36 -0.06 0.35 -1.00 0.00 0.00 179.01 178.71 3dwc h PHE 315 N 0.48 0.85 -0.31 4.33 3.57 -1.40 -3.35 116.94 121.12 3dwc h PHE 315 Ca 0.13 -0.17 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 3dwc h PHE 315 Cb -0.01 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3dwc h PHE 315 CO -0.04 0.87 -0.25 1.25 -2.23 0.00 0.00 178.31 177.91 3dwc h LEU 316 N 0.59 0.75 -0.15 0.59 5.85 -0.35 -3.30 115.31 119.29 3dwc h LEU 316 Ca 0.11 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3dwc h LEU 316 Cb 0.57 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3dwc h LEU 316 CO 0.03 1.04 -0.11 0.00 -0.34 0.00 0.00 178.44 179.07 3dwc h ALA 317 N 0.73 0.01 0.00 1.25 0.00 -1.31 0.19 119.26 120.13 3dwc h ALA 317 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dwc h ALA 317 Cb 0.81 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3dwc h ALA 317 CO 0.06 -0.55 -0.05 -1.35 0.00 0.00 0.00 179.25 177.37 3dwc h PRO 318 N -0.11 0.00 -0.07 0.00 0.11 -1.75 -1.96 132.00 128.21 3dwc h PRO 318 Ca 0.09 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 3dwc h PRO 318 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3dwc h PRO 318 CO -0.22 0.05 -0.80 0.00 -0.21 0.00 0.00 178.00 176.82 3dwc h ARG 319 N 0.00 0.50 -0.59 1.05 2.47 -1.09 -2.00 114.38 114.72 3dwc h ARG 319 Ca -0.00 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 3dwc h ARG 319 Cb 0.10 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3dwc h ARG 319 CO 0.01 1.07 0.38 -0.07 0.56 0.00 0.00 179.97 181.92 3dwc h LEU 320 N 0.33 0.69 -0.28 3.04 3.38 -0.46 0.00 115.31 122.00 3dwc h LEU 320 Ca -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dwc h LEU 320 Cb 1.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3dwc h LEU 320 CO 0.14 0.52 0.18 0.58 0.09 0.00 0.00 178.44 179.95 3dwc h VAL 321 N 0.80 1.06 -0.00 1.22 2.07 -1.41 0.50 116.25 120.49 3dwc h VAL 321 Ca 0.21 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3dwc h VAL 321 Cb -0.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3dwc h VAL 321 CO -0.04 0.07 -0.05 -0.08 0.02 0.00 0.00 177.57 177.48 3dwc h GLU 322 N 0.37 -0.09 0.12 1.57 4.81 -1.06 0.15 114.58 120.46 3dwc h GLU 322 Ca 0.10 0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.06 3dwc h GLU 322 Cb -0.04 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.38 3dwc h GLU 322 CO -0.03 -0.06 -1.23 1.88 -0.73 0.00 0.00 179.01 178.85 3dwc h TYR 323 N -0.09 0.69 0.00 0.92 0.05 -0.86 -3.38 116.97 114.29 3dwc h TYR 323 Ca 0.02 -0.47 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3dwc h TYR 323 Cb 0.12 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3dwc h TYR 323 CO -0.13 1.34 -0.82 1.19 -1.05 0.00 0.00 178.16 178.69 3dwc n PHE 324 N -3.65 0.00 0.00 4.88 3.72 0.16 -4.95 117.46 117.62 3dwc n PHE 324 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3dwc n PHE 324 Cb 0.99 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 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 1.54 1.61 3.78 1.37 0.00 0.53 -5.01 105.19 109.00 3dwc n GLY 325 Ca 0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.35 5.98 0.15 1.61 3.68 -1.25 -4.51 116.67 121.97 3dwc s ASP 326 Ca 0.00 2.19 -0.22 0.00 2.13 0.00 0.00 52.55 56.66 3dwc s ASP 326 Cb 0.00 -2.59 0.06 0.00 -1.45 0.00 0.00 42.92 38.95 3dwc s ASP 326 CO 0.00 -1.04 0.56 0.00 0.13 0.00 0.00 175.17 174.81 3dwc s GLN 327 N -3.05 1.23 0.38 4.34 -2.07 -1.26 -5.05 119.66 114.19 3dwc s GLN 327 Ca 0.69 -0.51 0.16 0.00 -1.82 0.00 0.00 55.36 53.88 3dwc s GLN 327 Cb -0.25 0.56 1.04 0.00 -1.09 0.00 0.00 33.01 33.28 3dwc s GLN 327 CO 0.29 -0.53 1.78 -1.35 -1.32 0.00 0.00 175.29 174.16 3dwc h PRO 328 N 2.10 0.44 0.00 9.60 0.11 -2.00 -1.04 132.00 141.21 3dwc h PRO 328 Ca -0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3dwc h PRO 328 Cb 1.30 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dwc h PRO 328 CO 0.40 0.29 -0.04 0.00 -0.21 0.00 0.00 178.00 178.44 3dwc h ALA 329 N 1.63 1.15 -0.39 -0.75 0.00 -1.90 -3.36 119.26 115.65 3dwc h ALA 329 Ca 0.58 -0.04 -0.72 0.00 0.00 0.00 0.00 54.91 54.73 3dwc h ALA 329 Cb 1.37 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3dwc h ALA 329 CO -0.30 0.05 2.88 1.19 0.00 0.00 0.00 179.25 183.08 3dwc n PHE 330 N -3.36 2.83 -4.39 0.00 3.72 -0.40 -4.05 117.46 111.81 3dwc n PHE 330 Ca -0.02 -2.92 -0.23 0.00 -0.05 0.00 0.00 57.45 54.23 3dwc n PHE 330 Cb 0.18 -2.20 -0.11 0.00 -0.94 0.00 0.00 39.48 36.41 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 1.07 2.10 0.16 4.37 -4.23 -1.26 -4.81 115.64 113.04 3dwc s THR 331 Ca 0.53 -2.15 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 3dwc s THR 331 Cb 0.15 -2.08 0.05 0.00 1.34 0.00 0.00 72.50 71.97 3dwc s THR 331 CO -0.06 -0.37 1.65 -1.28 -0.54 0.00 0.00 174.62 174.02 3dwc h SER 332 N 2.79 -0.57 -0.22 3.99 0.87 -1.89 -0.11 113.55 118.41 3dwc h SER 332 Ca -0.41 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 3dwc h SER 332 Cb 1.23 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3dwc h SER 332 CO 0.56 -0.21 -0.05 -1.28 -0.53 0.00 0.00 176.83 175.31 3dwc h SER 333 N -0.14 0.42 -0.23 6.23 0.87 -1.95 -2.34 113.55 116.42 3dwc h SER 333 Ca 0.16 -0.37 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 3dwc h SER 333 Cb 0.38 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3dwc h SER 333 CO -0.39 0.69 -0.45 -1.13 -0.53 0.00 0.00 176.83 175.02 3dwc h ASN 334 N 0.15 0.80 -0.43 6.23 -1.24 -1.82 -2.89 115.58 116.38 3dwc h ASN 334 Ca 0.05 -0.54 -0.04 0.00 0.71 0.00 0.00 56.30 56.48 3dwc h ASN 334 Cb 0.51 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 3dwc h ASN 334 CO 0.02 1.20 0.13 0.24 -1.29 0.00 0.00 177.43 177.73 3dwc h MET 335 N 0.44 0.74 -0.88 6.67 2.86 -1.04 -0.64 114.93 123.07 3dwc h MET 335 Ca 0.01 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3dwc h MET 335 Cb 1.06 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.55 3dwc h MET 335 CO 0.10 0.66 0.57 -0.22 1.06 0.00 0.00 176.91 179.08 3dwc h LYS 336 N 0.72 1.07 -0.50 1.72 3.64 -1.38 1.00 116.57 122.84 3dwc h LYS 336 Ca 0.16 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3dwc h LYS 336 Cb 0.25 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3dwc h LYS 336 CO -0.00 0.71 -0.16 0.00 -2.27 0.00 0.00 179.45 177.73 3dwc h ARG 337 N 1.10 0.97 -0.13 1.90 3.08 -1.18 0.75 114.38 120.87 3dwc h ARG 337 Ca 0.35 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3dwc h ARG 337 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3dwc h ARG 337 CO -0.12 1.05 0.04 0.28 -1.07 0.00 0.00 179.97 180.15 3dwc h VAL 338 N 0.85 1.18 0.01 2.04 2.07 -0.73 -2.55 116.25 119.13 3dwc h VAL 338 Ca 0.12 -0.56 -0.20 0.00 0.82 0.00 0.00 66.70 66.88 3dwc h VAL 338 Cb 0.72 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3dwc h VAL 338 CO 0.06 0.17 -0.91 0.40 0.02 0.00 0.00 177.57 177.31 3dwc h ILE 339 N 0.03 1.57 -0.58 4.57 1.08 -0.73 -3.13 117.51 120.33 3dwc h ILE 339 Ca 0.04 -2.88 0.00 0.00 -0.39 0.00 0.00 64.86 61.64 3dwc h ILE 339 Cb 0.23 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 3dwc h ILE 339 CO -0.00 0.83 0.00 0.00 -0.69 0.00 0.00 178.15 178.29 3dwc n GLN 340 N -3.56 3.19 -1.99 2.37 6.02 0.25 -4.99 117.38 118.68 3dwc n GLN 340 Ca -0.02 -2.44 -0.41 0.00 -0.01 0.00 0.00 57.00 54.11 3dwc n GLN 340 Cb 0.84 -1.75 -0.02 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.67 4.25 -0.21 -1.09 3.52 -0.96 -4.98 118.95 117.80 3dwc s ARG 341 Ca 0.44 2.33 -0.05 0.00 -0.13 0.00 0.00 55.73 58.33 3dwc s ARG 341 Cb 0.27 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 3dwc s ARG 341 CO 0.23 -0.43 -0.00 0.08 -0.81 0.00 0.00 175.30 174.36 3dwc s VAL 342 N -0.09 3.83 -0.34 7.11 1.01 -1.26 -4.79 120.40 125.86 3dwc s VAL 342 Ca 0.59 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3dwc s VAL 342 Cb -0.42 -2.74 0.19 0.00 0.00 0.00 0.00 36.38 33.40 3dwc s VAL 342 CO 0.45 0.41 0.69 -0.55 0.00 0.00 0.00 175.10 176.10 3dwc s SER 343 N 1.25 -1.36 0.30 3.32 0.15 -1.26 -5.02 113.70 111.08 3dwc s SER 343 Ca 0.04 -0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.17 3dwc s SER 343 Cb -0.15 1.79 -0.14 0.00 -1.71 0.00 0.00 66.02 65.82 3dwc s SER 343 CO 0.01 -0.20 1.08 -2.65 1.20 0.00 0.00 173.24 172.67 3dwc n PRO 344 N 4.84 1.54 -4.09 5.44 -0.02 -1.26 -4.81 135.00 136.65 3dwc n PRO 344 Ca 0.08 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 3dwc n PRO 344 Cb 0.56 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3dwc n PRO 344 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3dwc s GLY 345 N -0.50 1.58 0.19 -1.23 0.00 -1.26 -5.08 107.32 101.02 3dwc s GLY 345 Ca 0.58 -1.57 0.18 0.00 0.00 0.00 0.00 44.72 43.91 3dwc s GLY 345 CO 0.61 -1.00 1.11 1.41 0.00 0.00 0.00 173.10 175.22 3dwc h LEU 346 N 2.06 0.00 -8.60 0.66 3.38 -1.94 -3.46 115.31 107.41 3dwc h LEU 346 Ca -0.28 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.01 3dwc h LEU 346 Cb 1.24 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.77 3dwc h LEU 346 CO 0.38 0.36 -0.53 -0.63 0.09 0.00 0.00 178.44 178.12 3dwc s ILE 347 N -3.07 4.80 0.31 1.22 -1.09 -1.26 -4.82 121.20 117.29 3dwc s ILE 347 Ca 0.00 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 3dwc s ILE 347 Cb 0.08 -3.46 0.28 0.00 -1.58 0.00 0.00 42.46 37.78 3dwc s ILE 347 CO 0.78 0.04 1.93 -0.09 -1.23 0.00 0.00 174.94 176.36 3dwc h ARG 348 N 8.39 0.97 -0.42 2.79 2.43 -1.95 -1.60 114.38 125.00 3dwc h ARG 348 Ca -0.32 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 3dwc h ARG 348 Cb 1.15 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3dwc h ARG 348 CO 0.62 0.64 0.16 0.82 -1.51 0.00 0.00 179.97 180.70 3dwc h ILE 349 N 1.00 1.16 -0.17 1.20 1.08 -1.99 -2.40 117.51 117.40 3dwc h ILE 349 Ca 0.36 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 3dwc h ILE 349 Cb 0.16 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 3dwc h ILE 349 CO -0.13 0.20 0.00 0.47 -0.69 0.00 0.00 178.15 178.00 3dwc n ASP 350 N -4.37 1.14 -4.80 1.72 8.00 -0.61 -4.95 116.55 112.69 3dwc n ASP 350 Ca 0.03 -1.83 -0.38 0.00 0.71 0.00 0.00 54.79 53.33 3dwc n ASP 350 Cb 0.15 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.77 3.42 1.03 2.24 0.00 -0.90 -5.00 121.76 120.78 3dwc s ALA 351 Ca 0.22 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.30 3dwc s ALA 351 Cb 0.11 -2.89 0.20 0.00 0.00 0.00 0.00 23.12 20.54 3dwc s ALA 351 CO 0.16 0.31 1.12 0.16 0.00 0.00 0.00 175.76 177.51 3dwc s ASP 352 N -1.40 2.39 0.45 0.00 -4.77 -1.26 -4.66 116.67 107.41 3dwc s ASP 352 Ca 0.40 0.94 0.20 0.00 -3.30 0.00 0.00 52.55 50.78 3dwc s ASP 352 Cb -0.20 -1.45 1.07 0.00 -1.09 0.00 0.00 42.92 41.26 3dwc s ASP 352 CO 0.23 -3.25 1.95 -0.08 0.70 0.00 0.00 175.17 174.72 3dwc h GLU 353 N -1.98 0.00 0.23 2.11 4.81 -1.94 0.12 114.58 117.93 3dwc h GLU 353 Ca -0.51 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.38 3dwc h GLU 353 Cb 1.32 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.73 3dwc h GLU 353 CO 0.52 0.23 -1.56 1.25 -0.73 0.00 0.00 179.01 178.72 3dwc h LEU 354 N 0.00 0.77 0.00 1.64 5.85 -1.95 -3.37 115.31 118.26 3dwc h LEU 354 Ca -0.00 -0.91 -0.21 0.00 0.84 0.00 0.00 57.88 57.60 3dwc h LEU 354 Cb 0.48 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3dwc h LEU 354 CO 0.03 1.72 -1.15 0.00 -0.34 0.00 0.00 178.44 178.71 3dwc h TYR 356 N 0.00 -0.63 -0.19 0.00 3.20 -0.94 -1.47 116.97 116.94 3dwc h TYR 356 Ca -0.10 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.88 3dwc h TYR 356 Cb 1.75 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 40.36 3dwc h TYR 356 CO 0.00 -0.32 0.19 -1.00 -1.64 0.00 0.00 178.16 175.39 3dwc h PRO 357 N -0.13 0.00 -0.15 1.82 0.13 -1.79 -2.71 132.00 129.17 3dwc h PRO 357 Ca 0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.32 3dwc h PRO 357 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3dwc h PRO 357 CO -0.58 0.00 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.05 3dwc h LEU 358 N 0.00 0.31 -0.76 1.56 3.38 -1.51 -0.31 115.31 117.98 3dwc h LEU 358 Ca 0.09 -0.41 0.13 0.00 0.09 0.00 0.00 57.88 57.78 3dwc h LEU 358 Cb 0.47 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3dwc h LEU 358 CO -0.00 0.65 0.33 0.45 0.09 0.00 0.00 178.44 179.96 3dwc h HIS 359 N -0.03 0.56 -0.03 1.13 3.86 -1.42 -1.60 115.15 117.63 3dwc h HIS 359 Ca 0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3dwc h HIS 359 Cb 0.53 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 3dwc h HIS 359 CO 0.06 0.10 0.00 0.28 0.86 0.00 0.00 177.93 179.24 3dwc h VAL 360 N 0.49 1.23 -0.58 2.45 2.07 -1.32 -2.94 116.25 117.65 3dwc h VAL 360 Ca 0.41 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3dwc h VAL 360 Cb 0.59 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.95 3dwc h VAL 360 CO -0.38 0.18 0.27 -0.03 0.02 0.00 0.00 177.57 177.64 3dwc h MET 361 N -0.24 0.49 -0.75 1.57 -1.53 -0.87 -0.21 114.93 113.39 3dwc h MET 361 Ca 0.01 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 3dwc h MET 361 Cb 0.30 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.20 3dwc h MET 361 CO 0.00 0.32 0.42 1.37 0.14 0.00 0.00 176.91 179.16 3dwc h LEU 362 N 0.50 0.92 -0.24 3.39 8.10 -1.30 -1.01 115.31 125.68 3dwc h LEU 362 Ca 0.27 -0.07 -0.06 0.00 0.11 0.00 0.00 57.88 58.13 3dwc h LEU 362 Cb 0.25 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.23 3dwc h LEU 362 CO -0.22 0.74 -0.10 0.03 -4.11 0.00 0.00 178.44 174.77 3dwc h ARG 363 N 1.04 0.49 -0.18 0.17 3.08 -1.22 -1.79 114.38 115.97 3dwc h ARG 363 Ca 0.27 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.16 3dwc h ARG 363 Cb 0.01 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3dwc h ARG 363 CO -0.04 0.75 -0.39 -0.92 -1.07 0.00 0.00 179.97 178.29 3dwc h TYR 364 N 0.21 -1.11 -0.67 3.04 5.03 -0.90 0.20 116.97 122.77 3dwc h TYR 364 Ca 0.05 0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.49 3dwc h TYR 364 Cb 0.59 0.51 -0.06 0.00 1.55 0.00 0.00 36.73 39.32 3dwc h TYR 364 CO 0.06 -0.45 0.33 0.93 -1.32 0.00 0.00 178.16 177.72 3dwc h GLU 365 N -0.43 0.58 -0.37 1.82 5.08 -1.14 -0.43 114.58 119.69 3dwc h GLU 365 Ca 0.09 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 3dwc h GLU 365 Cb 0.60 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3dwc h GLU 365 CO -0.42 0.38 -0.33 0.82 -1.00 0.00 0.00 179.01 178.46 3dwc h ILE 366 N 0.59 1.28 -0.59 3.13 2.04 -1.01 -1.92 117.51 121.03 3dwc h ILE 366 Ca 0.32 -1.50 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 3dwc h ILE 366 Cb 0.29 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3dwc h ILE 366 CO -0.24 0.50 0.19 -0.33 0.00 0.00 0.00 178.15 178.27 3dwc h GLU 367 N 0.67 0.89 -0.37 2.37 5.08 0.01 -1.76 114.58 121.47 3dwc h GLU 367 Ca 0.06 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 3dwc h GLU 367 Cb 0.92 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3dwc h GLU 367 CO 0.08 0.76 -0.35 -0.09 -1.00 0.00 0.00 179.01 178.42 3dwc h ARG 368 N 0.86 0.85 -0.20 2.33 2.43 -1.00 -1.62 114.38 118.04 3dwc h ARG 368 Ca 0.20 -0.42 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 3dwc h ARG 368 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3dwc h ARG 368 CO -0.01 1.06 -0.58 -0.44 -1.51 0.00 0.00 179.97 178.50 3dwc h ASP 369 N 0.71 0.86 0.14 -3.80 3.32 -1.18 -0.74 116.42 115.73 3dwc h ASP 369 Ca 0.07 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3dwc h ASP 369 Cb 0.92 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 3dwc h ASP 369 CO 0.08 1.29 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.68 3dwc h LEU 370 N 0.47 -0.39 -0.76 1.55 3.38 -1.29 0.30 115.31 118.57 3dwc h LEU 370 Ca -0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dwc h LEU 370 Cb 1.20 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 3dwc h LEU 370 CO 0.12 -0.22 0.48 0.24 0.09 0.00 0.00 178.44 179.16 3dwc h MET 371 N -0.32 0.92 0.00 1.13 2.86 -1.24 -2.04 114.93 116.25 3dwc h MET 371 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3dwc h MET 371 Cb 0.31 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3dwc h MET 371 CO -0.04 0.61 0.00 -3.47 1.06 0.00 0.00 176.91 175.07 3dwc n ASP 372 N -4.61 0.74 0.00 1.22 4.64 -0.29 -4.90 116.55 113.35 3dwc n ASP 372 Ca 0.08 0.62 0.00 0.00 -1.38 0.00 0.00 54.79 54.11 3dwc n ASP 372 Cb 0.08 -0.80 0.00 0.00 -1.04 0.00 0.00 41.12 39.36 3dwc n ASP 372 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dwc n GLY 373 N 0.70 0.43 0.14 0.27 0.00 -0.18 -4.95 105.19 101.60 3dwc n GLY 373 Ca 0.04 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 -5.10 1.61 2.35 -0.74 -3.46 115.58 110.24 3dwc h ASN 374 Ca 0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 3dwc h ASN 374 Cb 0.37 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.59 3dwc h ASN 374 CO 0.00 0.31 -0.65 0.27 -1.65 0.00 0.00 177.43 175.71 3dwc s ILE 375 N -3.09 0.30 0.36 2.81 -4.36 -1.12 -4.98 121.20 111.12 3dwc s ILE 375 Ca 0.02 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 3dwc s ILE 375 Cb 0.08 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 3dwc s ILE 375 CO 0.76 -0.44 0.06 -1.61 0.24 0.00 0.00 174.94 173.95 3dwc s GLU 376 N -4.01 2.14 0.53 0.37 0.41 -1.26 -4.28 118.70 112.60 3dwc s GLU 376 Ca 0.25 -1.77 0.28 0.00 -0.41 0.00 0.00 54.97 53.31 3dwc s GLU 376 Cb 0.07 -1.95 1.42 0.00 -1.78 0.00 0.00 34.13 31.89 3dwc s GLU 376 CO 0.03 0.06 1.95 0.00 -0.49 0.00 0.00 175.26 176.81 3dwc h ALA 377 N 1.69 2.64 0.00 5.21 0.00 -1.96 -0.45 119.26 126.40 3dwc h ALA 377 Ca -0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3dwc h ALA 377 Cb 1.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3dwc h ALA 377 CO 0.68 -0.84 -0.20 0.93 0.00 0.00 0.00 179.25 179.82 3dwc h GLU 378 N 0.02 0.00 -0.01 0.00 3.07 -1.96 -3.07 114.58 112.64 3dwc h GLU 378 Ca 0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 3dwc h GLU 378 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 3dwc h GLU 378 CO -0.01 0.20 -0.27 0.39 -1.40 0.00 0.00 179.01 177.92 3dwc n GLU 379 N -4.17 0.88 -0.07 2.33 1.02 -0.18 -4.50 120.64 115.96 3dwc n GLU 379 Ca -0.02 -0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 56.47 3dwc n GLU 379 Cb 0.27 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.16 3dwc n GLU 379 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dwc h VAL 380 N 1.32 1.18 -0.65 2.62 2.07 -1.62 -1.26 116.25 119.91 3dwc h VAL 380 Ca 0.00 -0.57 0.13 0.00 0.82 0.00 0.00 66.70 67.08 3dwc h VAL 380 Cb 0.53 1.15 -0.10 0.00 -1.52 0.00 0.00 31.29 31.35 3dwc h VAL 380 CO 0.00 0.18 0.12 -0.65 0.02 0.00 0.00 177.57 177.24 3dwc h PRO 381 N 0.19 0.23 -0.23 1.57 0.11 -1.83 0.31 132.00 132.35 3dwc h PRO 381 Ca 0.07 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 3dwc h PRO 381 Cb 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3dwc h PRO 381 CO -0.00 0.15 -0.03 0.00 -0.21 0.00 0.00 178.00 177.91 3dwc h ARG 382 N 0.24 0.42 -0.03 1.05 2.47 -1.77 -2.11 114.38 114.65 3dwc h ARG 382 Ca 0.35 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.85 3dwc h ARG 382 Cb 0.56 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3dwc h ARG 382 CO -0.46 0.63 -0.31 0.28 0.56 0.00 0.00 179.97 180.67 3dwc h VAL 383 N 0.17 1.24 -0.17 2.04 2.07 -1.02 -2.42 116.25 118.16 3dwc h VAL 383 Ca 0.06 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 3dwc h VAL 383 Cb 0.46 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3dwc h VAL 383 CO 0.02 0.32 -0.06 -0.25 0.02 0.00 0.00 177.57 177.62 3dwc h TRP 384 N 0.05 0.39 -0.44 1.57 2.91 -0.10 -2.10 115.95 118.23 3dwc h TRP 384 Ca 0.01 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 60.00 3dwc h TRP 384 Cb 0.58 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 29.07 3dwc h TRP 384 CO 0.00 0.63 0.09 -0.97 -1.03 0.00 0.00 178.44 177.17 3dwc h ASN 385 N 0.04 0.02 -0.51 2.65 -1.24 -1.31 -0.61 115.58 114.62 3dwc h ASN 385 Ca 0.04 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 3dwc h ASN 385 Cb 0.52 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 3dwc h ASN 385 CO 0.02 0.04 0.25 -0.33 -1.29 0.00 0.00 177.43 176.12 3dwc h GLU 386 N 0.23 0.73 -0.15 6.67 5.08 -1.31 0.76 114.58 126.59 3dwc h GLU 386 Ca 0.21 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 3dwc h GLU 386 Cb 0.26 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3dwc h GLU 386 CO -0.28 0.60 -0.63 0.87 -1.00 0.00 0.00 179.01 178.57 3dwc h LYS 387 N 0.68 0.54 -0.30 2.33 1.57 -1.28 -1.64 116.57 118.46 3dwc h LYS 387 Ca 0.18 -0.38 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 3dwc h LYS 387 Cb 0.11 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3dwc h LYS 387 CO -0.02 1.00 -0.35 0.52 -0.57 0.00 0.00 179.45 180.03 3dwc h MET 388 N 0.39 0.68 -0.16 3.15 2.86 -0.89 -0.13 114.93 120.83 3dwc h MET 388 Ca -0.01 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3dwc h MET 388 Cb 1.20 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3dwc h MET 388 CO 0.12 0.92 0.07 0.87 1.06 0.00 0.00 176.91 179.95 3dwc h LYS 389 N 0.57 0.24 -0.16 1.72 1.57 -0.56 -0.64 116.57 119.30 3dwc h LYS 389 Ca 0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3dwc h LYS 389 Cb 0.86 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 3dwc h LYS 389 CO 0.07 0.32 -0.09 1.03 -0.57 0.00 0.00 179.45 180.22 3dwc h SER 390 N 0.11 0.35 -0.02 0.86 0.87 -1.21 -2.26 113.55 112.25 3dwc h SER 390 Ca 0.05 -0.42 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3dwc h SER 390 Cb 0.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3dwc h SER 390 CO -0.00 0.70 -0.24 1.88 -0.53 0.00 0.00 176.83 178.64 3dwc h TYR 391 N 0.00 0.27 -0.00 2.24 0.05 -1.09 -3.41 116.97 115.03 3dwc h TYR 391 Ca 0.03 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3dwc h TYR 391 Cb 0.57 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.28 3dwc h TYR 391 CO 0.07 0.91 -0.05 1.28 -1.05 0.00 0.00 178.16 179.31 3dwc n LEU 392 N -4.52 0.92 -0.09 3.88 4.77 -0.30 -5.01 117.00 116.65 3dwc n LEU 392 Ca -0.09 -0.83 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 3dwc n LEU 392 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3dwc n LEU 392 CO 0.39 0.20 -0.01 0.61 -1.33 0.00 0.00 177.39 177.25 3dwc n GLY 393 N 0.49 0.50 3.08 -0.72 0.00 -0.85 -4.89 105.19 102.81 3dwc n GLY 393 Ca 0.02 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3dwc n GLY 393 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwc s LEU 394 N -0.27 1.83 -0.04 0.99 1.43 -1.11 -4.91 118.68 116.61 3dwc s LEU 394 Ca 0.00 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 3dwc s LEU 394 Cb 0.00 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3dwc s LEU 394 CO 0.00 0.11 0.73 -0.70 0.23 0.00 0.00 176.35 176.72 3dwc s GLU 395 N 0.22 4.45 0.00 1.70 2.12 -1.26 -2.55 118.70 123.38 3dwc s GLU 395 Ca -0.06 0.94 0.07 0.00 0.36 0.00 0.00 54.97 56.28 3dwc s GLU 395 Cb -0.12 -3.43 0.07 0.00 0.26 0.00 0.00 34.13 30.91 3dwc s GLU 395 CO 0.02 0.11 0.78 0.25 -0.54 0.00 0.00 175.26 175.88 3dwc n THR 396 N 3.58 0.10 -1.68 -1.70 -2.24 -1.26 -5.02 114.28 106.06 3dwc n THR 396 Ca -0.01 -0.55 -0.49 0.00 -2.27 0.00 0.00 64.05 60.73 3dwc n THR 396 Cb 0.51 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.39 3.33 0.00 3.22 0.00 -1.26 -0.48 117.00 122.20 3dwc n LEU 397 Ca 0.05 0.99 0.00 0.00 0.00 0.00 0.00 56.01 57.05 3dwc n LEU 397 Cb 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 43.42 42.26 3dwc n LEU 397 CO 0.05 -0.11 0.00 0.61 0.00 0.00 0.00 177.39 177.93 3dwc n GLY 398 N 4.25 1.13 2.66 -3.96 0.00 -1.26 -4.96 105.19 103.06 3dwc n GLY 398 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 2.95 0.07 1.61 5.15 0.37 -4.86 115.26 120.54 3dwc n ASN 399 Ca 0.00 -3.22 -0.06 0.00 -0.60 0.00 0.00 54.58 50.70 3dwc n ASN 399 Cb 0.00 -0.71 -0.10 0.00 -0.53 0.00 0.00 39.78 38.44 3dwc n ASN 399 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3dwc h ASP 400 N 4.89 0.00 -0.81 1.20 3.32 -1.87 -1.27 116.42 121.88 3dwc h ASP 400 Ca 0.17 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.41 3dwc h ASP 400 Cb 0.73 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.16 3dwc h ASP 400 CO 0.73 0.92 0.24 0.50 -1.72 0.00 0.00 179.24 179.92 3dwc h LYS 401 N 0.00 0.29 -0.49 3.56 3.64 -1.87 0.77 116.57 122.47 3dwc h LYS 401 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3dwc h LYS 401 Cb 1.73 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 3dwc h LYS 401 CO 0.12 0.19 0.00 0.39 -2.27 0.00 0.00 179.45 177.88 3dwc n GLU 402 N -5.14 3.39 0.00 1.90 1.02 -1.18 -3.60 120.64 117.04 3dwc n GLU 402 Ca 0.17 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 3dwc n GLU 402 Cb 0.55 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3dwc n GLU 402 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dwc n GLY 403 N 0.62 1.65 0.29 0.62 0.00 0.16 -4.60 105.19 103.93 3dwc n GLY 403 Ca 0.22 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.49 0.86 -0.32 0.00 4.77 -0.55 -4.38 117.00 113.89 3dwc n LEU 405 Ca -0.02 -0.21 0.19 0.00 -0.03 0.00 0.00 56.01 55.94 3dwc n LEU 405 Cb 0.16 -0.10 0.39 0.00 -2.33 0.00 0.00 43.42 41.54 3dwc n LEU 405 CO 0.27 0.15 1.07 -0.61 -1.33 0.00 0.00 177.39 176.94 3dwc h GLN 406 N 1.17 0.34 -6.51 3.23 4.15 -1.48 -3.45 115.11 112.56 3dwc h GLN 406 Ca 0.00 -0.02 -0.66 0.00 0.77 0.00 0.00 58.65 58.74 3dwc h GLN 406 Cb 0.41 -0.08 -0.15 0.00 0.21 0.00 0.00 27.48 27.88 3dwc h GLN 406 CO 0.00 0.22 -0.72 -0.51 -1.93 0.00 0.00 178.83 175.89 3dwc s ASP 407 N -5.03 4.47 0.28 -0.69 -0.00 -1.26 -5.04 116.67 109.40 3dwc s ASP 407 Ca -0.11 -0.38 0.17 0.00 -0.00 0.00 0.00 52.55 52.22 3dwc s ASP 407 Cb 0.28 -0.88 0.08 0.00 -0.00 0.00 0.00 42.92 42.41 3dwc s ASP 407 CO 0.78 0.16 1.40 1.62 -0.00 0.00 0.00 175.17 179.13 3dwc h VAL 408 N 3.10 0.67 -0.87 -1.27 3.04 -1.97 -3.40 116.25 115.55 3dwc h VAL 408 Ca -0.48 -1.98 0.15 0.00 -1.01 0.00 0.00 66.70 63.38 3dwc h VAL 408 Cb 1.17 2.29 -0.15 0.00 -2.01 0.00 0.00 31.29 32.59 3dwc h VAL 408 CO 0.53 0.38 -0.33 0.45 -1.01 0.00 0.00 177.57 177.59 3dwc h HIS 409 N 0.00 -0.89 -0.57 3.17 3.86 -1.96 -1.89 115.15 116.87 3dwc h HIS 409 Ca -0.02 0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 3dwc h HIS 409 Cb 1.34 0.52 -0.02 0.00 1.06 0.00 0.00 27.41 30.31 3dwc h HIS 409 CO 0.00 -0.40 -0.08 -1.49 0.86 0.00 0.00 177.93 176.83 3dwc h TRP 410 N -0.04 1.18 0.00 2.45 6.55 -1.77 -0.71 115.95 123.60 3dwc h TRP 410 Ca 0.34 -0.23 -0.04 0.00 0.95 0.00 0.00 58.89 59.91 3dwc h TRP 410 Cb 0.60 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 3dwc h TRP 410 CO -0.77 1.07 -0.17 0.66 -1.05 0.00 0.00 178.44 178.17 3dwc h SER 411 N 0.95 0.00 -0.14 -3.49 4.64 -1.66 -2.48 113.55 111.37 3dwc h SER 411 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3dwc h SER 411 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3dwc h SER 411 CO 0.04 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3dwc n GLY 412 N -0.44 0.04 1.99 -0.77 0.00 -0.70 -4.15 105.19 101.17 3dwc n GLY 412 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.06 0.38 3.19 -0.02 0.00 -0.93 -5.02 105.19 103.85 3dwc n GLY 413 Ca 0.15 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.04 2.63 -0.08 1.61 -1.94 -0.36 -5.02 119.30 114.10 3dwc s MET 414 Ca 0.00 -2.05 0.03 0.00 -1.71 0.00 0.00 55.69 51.95 3dwc s MET 414 Cb 0.00 -3.93 -0.02 0.00 2.01 0.00 0.00 34.83 32.89 3dwc s MET 414 CO 0.00 -1.20 -0.15 0.12 -0.01 0.00 0.00 175.02 173.79 3dwc s PHE 415 N 0.83 2.72 0.00 -0.03 5.36 -1.26 -4.15 117.98 121.45 3dwc s PHE 415 Ca 0.10 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.69 3dwc s PHE 415 Cb -0.22 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 3dwc s PHE 415 CO -0.03 0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.15 3dwc n GLY 416 N 2.80 0.72 0.12 13.12 0.00 -1.26 -4.58 105.19 116.11 3dwc n GLY 416 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 0.46 -0.86 1.61 5.03 -1.89 -3.40 116.97 117.93 3dwc h TYR 417 Ca 0.00 -0.34 0.18 0.00 2.58 0.00 0.00 58.73 61.16 3dwc h TYR 417 Cb 0.00 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 38.15 3dwc h TYR 417 CO 0.00 1.51 0.39 0.74 -1.32 0.00 0.00 178.16 179.48 3dwc h PHE 418 N -0.32 0.66 -0.74 -3.82 0.04 -1.93 -1.96 116.94 108.87 3dwc h PHE 418 Ca -0.28 0.04 0.21 0.00 2.80 0.00 0.00 57.97 60.74 3dwc h PHE 418 Cb 1.74 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.70 3dwc h PHE 418 CO 0.14 0.04 0.53 -1.35 -0.60 0.00 0.00 178.31 177.07 3dwc h PRO 419 N 0.47 0.03 0.00 1.51 0.11 -1.87 -1.72 132.00 130.53 3dwc h PRO 419 Ca 0.50 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.58 3dwc h PRO 419 Cb 0.86 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3dwc h PRO 419 CO -0.46 0.02 -0.16 1.79 -0.21 0.00 0.00 178.00 178.98 3dwc h THR 420 N 0.03 0.63 -0.12 -1.15 1.35 -1.63 -2.30 112.91 109.72 3dwc h THR 420 Ca 0.36 -0.72 0.04 0.00 -0.55 0.00 0.00 66.41 65.53 3dwc h THR 420 Cb 1.38 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.22 3dwc h THR 420 CO -0.02 0.16 -0.11 1.88 -0.25 0.00 0.00 175.52 177.19 3dwc h TYR 421 N 0.00 -0.27 -0.25 4.73 0.05 -1.49 -0.81 116.97 118.93 3dwc h TYR 421 Ca -0.00 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 3dwc h TYR 421 Cb 0.45 0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3dwc h TYR 421 CO 0.00 -0.17 -0.47 0.77 -1.05 0.00 0.00 178.16 177.24 3dwc h SER 422 N -0.13 0.71 -0.90 3.88 0.02 -1.60 -2.35 113.55 113.19 3dwc h SER 422 Ca 0.08 -0.35 0.10 0.00 -0.84 0.00 0.00 61.79 60.78 3dwc h SER 422 Cb 0.25 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 3dwc h SER 422 CO -0.20 1.07 0.54 -0.07 -1.14 0.00 0.00 176.83 177.03 3dwc h LEU 423 N 0.52 0.79 -0.41 5.07 3.38 -1.43 -1.15 115.31 122.08 3dwc h LEU 423 Ca 0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3dwc h LEU 423 Cb 1.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3dwc h LEU 423 CO 0.10 0.44 0.15 1.23 0.09 0.00 0.00 178.44 180.45 3dwc h GLY 424 N 0.89 0.66 0.76 0.83 0.00 -0.91 -0.90 103.07 104.41 3dwc h GLY 424 Ca 0.43 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.49 3dwc h GLY 424 CO -0.25 0.35 0.56 0.00 0.00 0.00 0.00 176.54 177.20 3dwc h ALA 425 N 1.00 1.65 -0.14 3.60 0.00 -0.87 -0.02 119.26 124.47 3dwc h ALA 425 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 3dwc h ALA 425 Cb 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dwc h ALA 425 CO -0.01 0.18 -0.77 0.52 0.00 0.00 0.00 179.25 179.17 3dwc h MET 426 N 0.87 0.72 -0.69 0.00 2.07 -0.96 -2.10 114.93 114.83 3dwc h MET 426 Ca 0.40 -0.59 -0.04 0.00 -2.07 0.00 0.00 59.70 57.40 3dwc h MET 426 Cb 0.39 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.21 3dwc h MET 426 CO -0.16 1.20 0.27 0.28 1.07 0.00 0.00 176.91 179.57 3dwc h VAL 427 N 0.49 1.24 -0.36 -2.22 2.07 -0.65 -1.61 116.25 115.21 3dwc h VAL 427 Ca -0.05 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 3dwc h VAL 427 Cb 1.39 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3dwc h VAL 427 CO 0.15 0.31 0.13 0.00 0.02 0.00 0.00 177.57 178.18 3dwc h ALA 428 N 1.12 0.47 -0.43 1.67 0.00 -0.97 0.27 119.26 121.39 3dwc h ALA 428 Ca 0.23 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3dwc h ALA 428 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dwc h ALA 428 CO -0.02 0.10 -0.24 0.00 0.00 0.00 0.00 179.25 179.08 3dwc h ALA 429 N 0.97 0.76 -0.52 0.00 0.00 -1.19 -0.71 119.26 118.56 3dwc h ALA 429 Ca 0.12 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3dwc h ALA 429 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3dwc h ALA 429 CO -0.01 0.66 -0.10 0.37 0.00 0.00 0.00 179.25 180.18 3dwc h GLN 430 N 0.76 0.99 0.09 0.00 4.15 -1.20 -0.90 115.11 119.00 3dwc h GLN 430 Ca 0.10 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 3dwc h GLN 430 Cb 0.80 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3dwc h GLN 430 CO 0.07 1.04 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.90 3dwc h LEU 431 N 0.86 -0.10 -1.23 -2.39 3.38 -0.75 -2.84 115.31 112.23 3dwc h LEU 431 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dwc h LEU 431 Cb 0.66 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3dwc h LEU 431 CO 0.05 -0.04 0.46 -0.03 0.09 0.00 0.00 178.44 178.97 3dwc h MET 432 N -0.14 0.98 -0.54 1.13 4.05 -1.02 -1.17 114.93 118.22 3dwc h MET 432 Ca -0.01 -0.07 0.11 0.00 -0.28 0.00 0.00 59.70 59.44 3dwc h MET 432 Cb 0.11 -0.21 -0.09 0.00 -0.80 0.00 0.00 31.60 30.61 3dwc h MET 432 CO 0.02 0.67 0.02 0.77 0.23 0.00 0.00 176.91 178.62 3dwc h SER 433 N 1.01 -0.19 -0.36 1.39 0.02 -1.06 0.41 113.55 114.76 3dwc h SER 433 Ca 0.27 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.27 3dwc h SER 433 Cb -0.08 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3dwc h SER 433 CO -0.05 -0.07 -0.08 0.00 -1.14 0.00 0.00 176.83 175.49 3dwc h VAL 435 N 0.48 0.79 -0.67 0.00 2.07 -0.89 -0.42 116.25 117.61 3dwc h VAL 435 Ca 0.09 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 3dwc h VAL 435 Cb 0.58 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3dwc h VAL 435 CO 0.03 0.00 0.33 0.03 0.02 0.00 0.00 177.57 177.98 3dwc h ARG 436 N 0.01 0.95 -0.53 1.57 3.08 -0.83 -0.18 114.38 118.45 3dwc h ARG 436 Ca 0.10 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3dwc h ARG 436 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3dwc h ARG 436 CO -0.22 0.73 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.24 3dwc h ARG 437 N 0.95 0.99 0.01 0.04 2.43 -0.74 0.14 114.38 118.18 3dwc h ARG 437 Ca 0.23 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 3dwc h ARG 437 Cb 0.09 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3dwc h ARG 437 CO -0.03 1.03 -0.29 0.93 -1.51 0.00 0.00 179.97 180.10 3dwc h GLU 438 N 0.86 0.19 0.07 0.20 5.08 -0.76 -3.34 114.58 116.87 3dwc h GLU 438 Ca 0.14 -0.21 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 3dwc h GLU 438 Cb 0.64 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dwc h GLU 438 CO 0.04 0.96 -1.10 -0.07 -1.00 0.00 0.00 179.01 177.84 3dwc h LEU 439 N -0.50 0.35 0.00 1.33 4.07 -1.15 -3.51 115.31 115.90 3dwc h LEU 439 Ca -0.04 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3dwc h LEU 439 Cb 1.06 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.69 3dwc h LEU 439 CO 0.06 1.22 0.00 0.61 -1.08 0.00 0.00 178.44 179.25 3dwc n GLY 440 N 1.30 2.15 0.12 0.83 0.00 0.49 -4.56 105.19 105.52 3dwc n GLY 440 Ca -0.06 -1.51 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 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 0.01 -0.69 1.61 4.39 -1.90 -1.80 114.58 116.19 3dwc h GLU 441 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3dwc h GLU 441 Cb 0.00 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 3dwc h GLU 441 CO 0.00 0.00 0.39 1.49 -1.16 0.00 0.00 179.01 179.74 3dwc h GLU 442 N 0.01 0.71 -0.22 2.33 4.81 -1.92 -0.20 114.58 120.09 3dwc h GLU 442 Ca 0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3dwc h GLU 442 Cb 0.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3dwc h GLU 442 CO -0.26 0.47 -0.02 0.28 -0.73 0.00 0.00 179.01 178.74 3dwc h VAL 443 N 0.73 1.27 0.16 0.32 2.07 -1.73 -0.29 116.25 118.78 3dwc h VAL 443 Ca 0.31 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3dwc h VAL 443 Cb 0.17 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3dwc h VAL 443 CO -0.18 0.29 -0.27 0.58 0.02 0.00 0.00 177.57 178.02 3dwc h VAL 444 N 0.16 0.42 -0.63 2.57 2.07 -1.09 -0.21 116.25 119.53 3dwc h VAL 444 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 3dwc h VAL 444 Cb 0.45 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3dwc h VAL 444 CO 0.02 0.00 0.28 0.44 0.02 0.00 0.00 177.57 178.33 3dwc h ASP 445 N -0.50 0.34 -0.93 0.57 3.32 -0.97 -1.37 116.42 116.88 3dwc h ASP 445 Ca 0.02 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.22 3dwc h ASP 445 Cb 0.51 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 3dwc h ASP 445 CO -0.13 0.21 0.57 0.44 -1.72 0.00 0.00 179.24 178.61 3dwc h ASP 446 N 0.50 0.87 -0.42 6.45 3.32 -0.81 -0.64 116.42 125.69 3dwc h ASP 446 Ca 0.31 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.34 3dwc h ASP 446 Cb 0.33 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3dwc h ASP 446 CO -0.27 0.52 0.06 0.00 -1.72 0.00 0.00 179.24 177.83 3dwc h ILE 448 N 0.56 1.35 0.00 0.00 2.04 -1.06 0.41 117.51 120.81 3dwc h ILE 448 Ca 0.13 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.57 3dwc h ILE 448 Cb 0.39 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3dwc h ILE 448 CO 0.01 0.42 0.00 0.08 0.00 0.00 0.00 178.15 178.66 3dwc h ARG 449 N 0.03 0.00 -0.16 2.37 0.11 -1.13 -2.27 114.38 113.33 3dwc h ARG 449 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3dwc h ARG 449 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 3dwc h ARG 449 CO 0.05 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.75 3dwc n LYS 450 N -3.05 2.32 -2.82 0.08 5.02 -0.96 -3.58 118.16 115.17 3dwc n LYS 450 Ca 0.02 -1.95 -0.15 0.00 -2.02 0.00 0.00 58.31 54.22 3dwc n LYS 450 Cb 0.40 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 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 1.38 -0.08 2.57 0.72 0.00 -0.85 -4.95 105.19 103.98 3dwc n GLY 451 Ca 0.16 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.05 2.64 0.00 1.61 2.03 0.14 -4.92 116.55 117.00 3dwc n ASP 452 Ca -0.06 -3.16 0.11 0.00 0.52 0.00 0.00 54.79 52.20 3dwc n ASP 452 Cb 0.57 -0.69 0.14 0.00 -0.72 0.00 0.00 41.12 40.43 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 1.53 0.65 -0.22 -2.67 4.77 -1.26 -4.49 117.00 115.31 3dwc n LEU 453 Ca 0.25 -0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3dwc n LEU 453 Cb 0.41 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3dwc n LEU 453 CO 0.30 0.16 0.32 0.61 -1.33 0.00 0.00 177.39 177.45 3dwc n GLY 454 N 1.50 -1.21 0.24 -0.72 0.00 -1.26 -0.60 105.19 103.13 3dwc n GLY 454 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3dwc n GLY 454 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dwc h LYS 455 N 0.00 0.36 0.02 1.61 1.57 -2.00 -0.75 116.57 117.37 3dwc h LYS 455 Ca 0.18 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3dwc h LYS 455 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3dwc h LYS 455 CO -0.56 0.51 -0.01 0.82 -0.57 0.00 0.00 179.45 179.65 3dwc h ILE 456 N 0.33 1.43 -0.99 1.86 2.04 -1.18 -3.07 117.51 117.94 3dwc h ILE 456 Ca 0.06 -1.50 0.11 0.00 1.00 0.00 0.00 64.86 64.53 3dwc h ILE 456 Cb 0.47 2.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.90 3dwc h ILE 456 CO 0.03 0.38 0.62 -0.07 0.00 0.00 0.00 178.15 179.11 3dwc h LEU 457 N -0.69 0.93 -1.42 1.44 3.38 -1.11 -1.43 115.31 116.41 3dwc h LEU 457 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dwc h LEU 457 Cb 0.64 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3dwc h LEU 457 CO 0.00 0.51 0.38 0.00 0.09 0.00 0.00 178.44 179.43 3dwc h ALA 458 N 1.52 1.57 -0.21 1.53 0.00 -1.17 -0.30 119.26 122.20 3dwc h ALA 458 Ca 0.48 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 3dwc h ALA 458 Cb 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dwc h ALA 458 CO -0.25 0.39 -0.23 0.87 0.00 0.00 0.00 179.25 180.03 3dwc h LYS 459 N 0.79 0.53 -0.48 0.00 1.79 -1.18 -1.49 116.57 116.54 3dwc h LYS 459 Ca 0.21 -0.29 0.05 0.00 -2.18 0.00 0.00 60.65 58.45 3dwc h LYS 459 Cb -0.08 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.53 3dwc h LYS 459 CO -0.04 0.87 0.21 1.96 -1.08 0.00 0.00 179.45 181.36 3dwc h GLN 460 N 0.21 0.40 0.04 3.15 4.20 -1.09 0.12 115.11 122.13 3dwc h GLN 460 Ca 0.03 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3dwc h GLN 460 Cb 0.78 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 3dwc h GLN 460 CO 0.06 0.26 -0.19 -0.97 -0.67 0.00 0.00 178.83 177.32 3dwc h ASN 461 N 0.41 -0.54 -0.56 1.46 -0.00 -1.02 0.11 115.58 115.44 3dwc h ASN 461 Ca 0.22 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.59 3dwc h ASN 461 Cb 0.18 0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.69 3dwc h ASN 461 CO -0.19 -0.26 0.35 -0.08 -0.00 0.00 0.00 177.43 177.26 3dwc h GLU 462 N -0.32 0.74 0.10 6.67 4.81 -1.14 -0.56 114.58 124.87 3dwc h GLU 462 Ca 0.04 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.95 3dwc h GLU 462 Cb 0.38 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3dwc h GLU 462 CO -0.15 0.51 -1.23 0.87 -0.73 0.00 0.00 179.01 178.29 3dwc h LYS 463 N 0.75 0.21 0.00 1.92 1.57 -0.60 -3.44 116.57 116.98 3dwc h LYS 463 Ca 0.20 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3dwc h LYS 463 Cb -0.05 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3dwc h LYS 463 CO -0.04 1.16 -0.24 -0.89 -0.57 0.00 0.00 179.45 178.87 3dwc n ILE 464 N -3.48 0.66 -0.15 1.86 2.08 0.33 -4.63 119.36 116.02 3dwc n ILE 464 Ca -0.08 0.22 -0.11 0.00 0.56 0.00 0.00 62.75 63.35 3dwc n ILE 464 Cb 1.01 -1.32 -0.01 0.00 -0.75 0.00 0.00 39.64 38.58 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 0.91 0.00 1.39 6.55 -0.88 -2.39 115.95 121.54 3dwc h TRP 465 Ca 0.00 -0.18 -0.00 0.00 0.95 0.00 0.00 58.89 59.66 3dwc h TRP 465 Cb 0.24 -0.23 -0.00 0.00 -0.86 0.00 0.00 29.16 28.31 3dwc h TRP 465 CO 0.00 0.90 -0.02 -0.56 -1.05 0.00 0.00 178.44 177.71 3dwc h GLN 466 N 0.66 0.00 0.00 0.49 3.07 -1.26 -1.53 115.11 116.54 3dwc h GLN 466 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 3dwc h GLN 466 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.13 3dwc h GLN 466 CO 0.03 0.02 -0.39 0.45 0.09 0.00 0.00 178.83 179.03 3dwc h HIS 467 N 0.00 0.00 0.00 0.06 3.86 -1.69 -3.19 115.15 114.19 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 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 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 1.21 1.55 1.20 2.45 0.00 -1.07 -0.94 105.19 109.59 3dwc n GLY 468 Ca 0.03 0.35 -0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 2.26 3.37 0.21 1.61 7.64 0.12 -4.03 113.62 124.80 3dwc n SER 469 Ca 0.00 -3.40 0.08 0.00 1.01 0.00 0.00 58.87 56.56 3dwc n SER 469 Cb 0.00 -0.62 0.40 0.00 -1.01 0.00 0.00 64.21 62.98 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 1.48 0.00 -3.52 6.43 4.64 -1.13 -3.44 113.55 118.02 3dwc h SER 470 Ca 0.16 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.82 3dwc h SER 470 Cb 1.72 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.63 3dwc h SER 470 CO 0.40 0.29 -0.79 -0.76 -0.87 0.00 0.00 176.83 175.10 3dwc s LEU 471 N -6.89 2.70 1.00 5.97 1.43 -1.26 -4.81 118.68 116.81 3dwc s LEU 471 Ca 0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 3dwc s LEU 471 Cb 0.10 -1.50 0.19 0.00 0.03 0.00 0.00 46.19 45.01 3dwc s LEU 471 CO 0.66 0.16 1.09 0.42 0.23 0.00 0.00 176.35 178.91 3dwc s THR 472 N -1.32 2.21 0.18 5.49 -4.23 -1.26 -4.70 115.64 112.00 3dwc s THR 472 Ca 0.20 0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.68 3dwc s THR 472 Cb -0.10 -2.20 0.07 0.00 1.34 0.00 0.00 72.50 71.62 3dwc s THR 472 CO 0.11 -0.09 1.65 0.74 -0.54 0.00 0.00 174.62 176.50 3dwc h THR 473 N -2.07 1.27 -0.15 3.99 2.02 -1.94 0.23 112.91 116.26 3dwc h THR 473 Ca -0.51 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 3dwc h THR 473 Cb 1.29 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3dwc h THR 473 CO 0.47 0.41 0.06 0.44 0.37 0.00 0.00 175.52 177.28 3dwc h ASP 474 N 1.00 0.21 -0.08 4.18 3.32 -1.94 -0.60 116.42 122.50 3dwc h ASP 474 Ca 0.18 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3dwc h ASP 474 Cb 0.52 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3dwc h ASP 474 CO 0.03 0.31 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.40 3dwc h GLU 475 N 0.10 -0.17 -0.23 3.56 5.08 -1.85 -1.22 114.58 119.85 3dwc h GLU 475 Ca 0.05 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3dwc h GLU 475 Cb 0.16 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3dwc h GLU 475 CO -0.00 -0.11 -0.21 1.25 -1.00 0.00 0.00 179.01 178.93 3dwc h LEU 476 N -0.18 -0.68 -0.88 1.33 5.85 -0.46 0.76 115.31 121.05 3dwc h LEU 476 Ca 0.07 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 3dwc h LEU 476 Cb 0.28 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3dwc h LEU 476 CO -0.18 -0.25 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.32 3dwc h LEU 477 N -0.22 0.51 -0.21 2.25 3.38 -1.06 -0.88 115.31 119.07 3dwc h LEU 477 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3dwc h LEU 477 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3dwc h LEU 477 CO -0.36 0.77 0.05 0.03 0.09 0.00 0.00 178.44 179.03 3dwc h ARG 478 N 0.44 0.33 -0.74 1.13 3.08 -0.87 0.74 114.38 118.50 3dwc h ARG 478 Ca 0.06 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3dwc h ARG 478 Cb 0.71 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3dwc h ARG 478 CO 0.05 0.45 0.30 -0.56 -1.07 0.00 0.00 179.97 179.15 3dwc h GLN 479 N 0.16 1.08 0.01 0.04 -0.00 -0.66 0.47 115.11 116.21 3dwc h GLN 479 Ca 0.07 -0.18 -0.26 0.00 -0.00 0.00 0.00 58.65 58.27 3dwc h GLN 479 Cb 0.26 -0.18 0.02 0.00 -0.00 0.00 0.00 27.48 27.58 3dwc h GLN 479 CO -0.00 0.87 -1.05 0.00 -0.00 0.00 0.00 178.83 178.65 3dwc h ALA 480 N 1.27 0.16 0.00 0.06 0.00 -1.09 -3.40 119.26 116.26 3dwc h ALA 480 Ca 0.25 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dwc h ALA 480 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dwc h ALA 480 CO -0.02 0.72 0.00 0.25 0.00 0.00 0.00 179.25 180.19 3dwc n THR 481 N -3.82 0.00 -0.33 0.00 -2.24 0.25 -5.00 114.28 103.13 3dwc n THR 481 Ca -0.10 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3dwc n THR 481 Cb 0.89 1.47 0.00 0.00 -2.10 0.00 0.00 70.33 70.59 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 0.07 1.10 3.49 3.38 0.00 0.15 -4.98 105.19 108.41 3dwc n GLY 482 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.46 1.12 1.08 1.61 -1.05 -1.25 -4.92 118.70 114.83 3dwc s GLU 483 Ca 0.00 -0.44 -0.13 0.00 -0.15 0.00 0.00 54.97 54.26 3dwc s GLU 483 Cb 0.00 0.50 0.24 0.00 -0.44 0.00 0.00 34.13 34.43 3dwc s GLU 483 CO 0.00 -0.49 1.06 -0.08 0.95 0.00 0.00 175.26 176.70 3dwc s THR 484 N -3.49 2.06 0.05 1.83 -1.32 -1.26 -3.01 115.64 110.51 3dwc s THR 484 Ca 0.04 0.02 -0.33 0.00 -1.21 0.00 0.00 61.69 60.21 3dwc s THR 484 Cb -0.01 -2.28 -0.12 0.00 -1.51 0.00 0.00 72.50 68.58 3dwc s THR 484 CO -0.10 -0.03 1.80 -0.11 -2.21 0.00 0.00 174.62 173.98 3dwc n LEU 485 N -4.56 3.62 -3.96 9.08 7.94 -1.26 -4.95 117.00 122.91 3dwc n LEU 485 Ca 0.04 1.00 -0.31 0.00 -1.11 0.00 0.00 56.01 55.63 3dwc n LEU 485 Cb 0.56 -1.46 -0.16 0.00 0.53 0.00 0.00 43.42 42.89 3dwc n LEU 485 CO 0.57 -0.01 -0.43 0.21 -1.11 0.00 0.00 177.39 176.62 3dwc s ASN 486 N 2.88 3.88 0.00 1.96 3.84 -1.26 -5.02 114.94 121.22 3dwc s ASN 486 Ca 0.85 -1.17 0.02 0.00 0.21 0.00 0.00 52.86 52.78 3dwc s ASN 486 Cb -0.60 -1.24 0.11 0.00 -0.55 0.00 0.00 41.25 38.98 3dwc s ASN 486 CO 0.43 -0.22 1.02 -0.81 -2.79 0.00 0.00 177.10 174.73 3dwc n PRO 487 N 4.64 0.01 0.24 0.43 -0.04 -1.26 -2.89 135.00 136.14 3dwc n PRO 487 Ca -0.13 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3dwc n PRO 487 Cb 0.44 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.00 -0.40 0.54 4.39 -1.97 -1.45 114.58 115.68 3dwc h GLU 488 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3dwc h GLU 488 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3dwc h GLU 488 CO 0.00 0.18 -0.17 0.45 -1.16 0.00 0.00 179.01 178.30 3dwc h HIS 489 N 0.00 0.94 0.07 4.33 3.86 -1.90 -1.54 115.15 120.92 3dwc h HIS 489 Ca -0.00 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 3dwc h HIS 489 Cb 0.53 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3dwc h HIS 489 CO 0.00 0.98 -0.03 -0.92 0.86 0.00 0.00 177.93 178.82 3dwc h TYR 490 N 0.63 -0.09 -0.47 2.45 3.20 -1.52 -0.67 116.97 120.50 3dwc h TYR 490 Ca 0.09 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.05 3dwc h TYR 490 Cb 0.72 0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.92 3dwc h TYR 490 CO 0.06 -0.04 -0.34 -0.09 -1.64 0.00 0.00 178.16 176.10 3dwc h ARG 491 N -0.10 -0.22 -0.05 1.82 2.43 -1.21 -1.23 114.38 115.82 3dwc h ARG 491 Ca -0.01 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3dwc h ARG 491 Cb 0.08 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3dwc h ARG 491 CO 0.02 -0.14 -0.48 0.00 -1.51 0.00 0.00 179.97 177.85 3dwc h ARG 492 N -0.22 0.12 0.11 0.20 3.08 -1.13 -0.35 114.38 116.18 3dwc h ARG 492 Ca 0.19 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3dwc h ARG 492 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3dwc h ARG 492 CO -0.59 0.58 -0.08 1.25 -1.07 0.00 0.00 179.97 180.06 3dwc h HIS 493 N 0.10 -0.20 -0.50 3.04 2.76 -0.73 0.18 115.15 119.80 3dwc h HIS 493 Ca 0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.10 3dwc h HIS 493 Cb 0.89 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 3dwc h HIS 493 CO 0.01 -0.13 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.44 3dwc h LEU 494 N -0.19 0.80 -0.20 0.26 3.38 -0.92 -1.51 115.31 116.94 3dwc h LEU 494 Ca -0.00 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3dwc h LEU 494 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dwc h LEU 494 CO -0.00 0.87 0.02 -0.33 0.09 0.00 0.00 178.44 179.08 3dwc h GLU 495 N 0.77 0.34 -0.44 1.13 5.08 -0.89 -0.43 114.58 120.15 3dwc h GLU 495 Ca 0.15 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3dwc h GLU 495 Cb 0.47 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3dwc h GLU 495 CO 0.02 0.52 0.12 0.00 -1.00 0.00 0.00 179.01 178.67 3dwc h ARG 496 N 0.11 0.69 -0.29 2.33 3.08 -0.81 -1.44 114.38 118.05 3dwc h ARG 496 Ca 0.06 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.77 3dwc h ARG 496 Cb 0.35 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dwc h ARG 496 CO 0.01 0.68 -0.51 -0.09 -1.07 0.00 0.00 179.97 178.99 3dwc h ARG 497 N 0.58 0.84 0.00 0.04 2.43 -1.18 -3.31 114.38 113.78 3dwc h ARG 497 Ca 0.14 -0.51 -0.21 0.00 -0.81 0.00 0.00 59.98 58.59 3dwc h ARG 497 Cb 0.29 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3dwc h ARG 497 CO -0.00 1.14 -1.79 0.66 -1.51 0.00 0.00 179.97 178.47 3dwc n TYR 498 N -4.01 0.00 -0.10 2.20 4.01 -0.18 -4.76 117.16 114.32 3dwc n TYR 498 Ca -0.04 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.47 3dwc n TYR 498 Cb 0.61 -0.57 -0.12 0.00 -0.31 0.00 0.00 39.34 38.95 3dwc n TYR 498 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3dwc n ARG 499 N -2.44 0.64 0.00 -0.72 0.63 -0.62 -4.86 116.66 109.30 3dwc n ARG 499 Ca -0.19 0.28 0.15 0.00 -0.92 0.00 0.00 57.85 57.18 3dwc n ARG 499 Cb 0.87 -1.59 0.74 0.00 0.45 0.00 0.00 32.46 32.93 3dwc n ARG 499 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87