#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxc n LYS 6 N 0.00 2.63 -3.97 3.69 5.02 -1.26 -4.94 118.16 119.33 3hxc n LYS 6 Ca 0.00 0.95 -0.09 0.00 -2.02 0.00 0.00 58.31 57.14 3hxc n LYS 6 Cb 0.00 -2.96 -0.05 0.00 -0.02 0.00 0.00 35.03 32.00 3hxc n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hxc s ASP 7 N 4.84 -0.11 0.24 4.39 2.15 -1.26 -4.58 116.67 122.34 3hxc s ASP 7 Ca 0.91 -0.87 0.00 0.00 0.43 0.00 0.00 52.55 53.03 3hxc s ASP 7 Cb -0.48 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 42.69 3hxc s ASP 7 CO 0.43 -1.13 0.42 0.68 -0.17 0.00 0.00 175.17 175.41 3hxc s VAL 8 N -4.00 5.18 -0.26 1.11 -7.23 -1.26 -5.00 120.40 108.96 3hxc s VAL 8 Ca 0.20 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 59.89 3hxc s VAL 8 Cb -0.01 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 33.17 3hxc s VAL 8 CO 0.07 -0.28 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.68 3hxc s THR 9 N -1.98 3.28 0.01 5.32 2.01 -1.26 -4.55 115.64 118.47 3hxc s THR 9 Ca 0.38 -0.82 -0.28 0.00 0.31 0.00 0.00 61.69 61.28 3hxc s THR 9 Cb -0.10 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 3hxc s THR 9 CO 0.30 0.21 0.88 -0.63 -0.69 0.00 0.00 174.62 174.70 3hxc s ILE 10 N 1.41 4.84 0.43 1.82 1.01 -1.26 -5.05 121.20 124.40 3hxc s ILE 10 Ca 0.02 1.86 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 3hxc s ILE 10 Cb -0.16 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 3hxc s ILE 10 CO -0.02 0.23 0.77 -1.59 0.00 0.00 0.00 174.94 174.32 3hxc s LYS 11 N 0.67 3.67 0.00 2.79 -2.85 -1.26 -4.98 119.74 117.79 3hxc s LYS 11 Ca 0.46 0.33 0.23 0.00 -1.00 0.00 0.00 55.97 56.00 3hxc s LYS 11 Cb -0.20 -2.40 1.11 0.00 -2.06 0.00 0.00 37.83 34.27 3hxc s LYS 11 CO 0.25 -0.09 1.75 0.43 0.10 0.00 0.00 175.35 177.79 3hxc n SER 12 N -1.68 0.00 -1.29 0.03 7.64 -1.26 -1.42 113.62 115.64 3hxc n SER 12 Ca 0.01 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.11 3hxc n SER 12 Cb 0.54 -0.35 0.31 0.00 -1.01 0.00 0.00 64.21 63.70 3hxc n SER 12 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hxc n ASP 13 N -1.35 4.36 -4.76 6.43 5.75 -1.26 -4.99 116.55 120.73 3hxc n ASP 13 Ca 0.09 -2.58 -0.38 0.00 -0.01 0.00 0.00 54.79 51.91 3hxc n ASP 13 Cb 0.21 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 3hxc n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hxc s ALA 14 N -2.08 3.06 0.30 2.12 0.00 -0.51 -4.94 121.76 119.72 3hxc s ALA 14 Ca 0.45 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 3hxc s ALA 14 Cb 0.31 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.84 3hxc s ALA 14 CO 0.18 -0.88 1.34 -0.35 0.00 0.00 0.00 175.76 176.06 3hxc n PRO 15 N -0.33 2.12 -0.10 0.00 -0.04 -1.26 -4.91 135.00 130.48 3hxc n PRO 15 Ca 0.06 0.75 0.03 0.00 -0.04 0.00 0.00 63.50 64.30 3hxc n PRO 15 Cb 0.45 -2.36 0.04 0.00 -0.04 0.00 0.00 33.50 31.59 3hxc n PRO 15 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hxc n ASP 16 N 1.33 1.33 -4.16 3.54 5.75 -1.26 -3.04 116.55 120.03 3hxc n ASP 16 Ca 0.07 -2.07 -0.15 0.00 -0.01 0.00 0.00 54.79 52.63 3hxc n ASP 16 Cb 0.34 -0.15 -0.11 0.00 -1.03 0.00 0.00 41.12 40.18 3hxc n ASP 16 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3hxc s THR 17 N -1.12 0.88 -0.11 2.12 -1.32 -1.26 -5.07 115.64 109.77 3hxc s THR 17 Ca 0.09 -1.51 -0.27 0.00 -1.21 0.00 0.00 61.69 58.79 3hxc s THR 17 Cb 0.07 -1.20 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 3hxc s THR 17 CO 0.01 -0.49 0.89 -0.22 -2.21 0.00 0.00 174.62 172.60 3hxc s LEU 18 N -2.22 4.25 -0.84 9.08 2.96 -1.26 -4.97 118.68 125.68 3hxc s LEU 18 Ca 0.02 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 3hxc s LEU 18 Cb -0.05 -3.36 0.33 0.00 0.50 0.00 0.00 46.19 43.61 3hxc s LEU 18 CO 0.00 -0.36 1.46 0.18 -1.32 0.00 0.00 176.35 176.31 3hxc n LEU 19 N 4.77 6.15 -0.03 -0.68 4.77 -1.26 -4.87 117.00 125.85 3hxc n LEU 19 Ca 0.05 -5.51 -0.10 0.00 -0.03 0.00 0.00 56.01 50.42 3hxc n LEU 19 Cb 0.49 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 3hxc n LEU 19 CO 0.50 2.18 0.93 0.25 -1.33 0.00 0.00 177.39 179.92 3hxc h LEU 20 N 3.68 0.19 -0.81 2.23 5.85 -1.99 -1.81 115.31 122.66 3hxc h LEU 20 Ca 0.37 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.19 3hxc h LEU 20 Cb 0.40 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3hxc h LEU 20 CO 1.03 0.16 0.42 -0.33 -0.34 0.00 0.00 178.44 179.37 3hxc h GLU 21 N 0.21 0.62 -0.32 1.25 3.07 -1.99 -0.08 114.58 117.34 3hxc h GLU 21 Ca 0.06 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 3hxc h GLU 21 Cb -0.01 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 3hxc h GLU 21 CO -0.01 0.41 -0.11 0.87 -1.40 0.00 0.00 179.01 178.77 3hxc h LYS 22 N 0.64 0.55 -0.30 2.33 1.57 -1.82 -1.94 116.57 117.60 3hxc h LYS 22 Ca 0.42 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3hxc h LYS 22 Cb 0.52 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3hxc h LYS 22 CO -0.32 0.65 -0.31 0.45 -0.57 0.00 0.00 179.45 179.36 3hxc h HIS 23 N 0.51 0.89 -0.61 -1.35 3.86 -0.26 -0.80 115.15 117.38 3hxc h HIS 23 Ca 0.09 -0.27 -0.03 0.00 -1.16 0.00 0.00 60.37 59.01 3hxc h HIS 23 Cb 0.49 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 3hxc h HIS 23 CO 0.02 1.03 0.27 0.00 0.86 0.00 0.00 177.93 180.10 3hxc h ALA 24 N 0.71 0.79 -0.61 2.45 0.00 -1.04 -1.45 119.26 120.11 3hxc h ALA 24 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hxc h ALA 24 Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hxc h ALA 24 CO 0.08 0.37 0.41 -0.44 0.00 0.00 0.00 179.25 179.67 3hxc h ASP 25 N 0.84 0.70 -0.28 0.00 3.45 -1.29 0.16 116.42 120.00 3hxc h ASP 25 Ca 0.21 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 3hxc h ASP 25 Cb 0.16 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3hxc h ASP 25 CO -0.02 0.51 0.15 0.22 -1.57 0.00 0.00 179.24 178.53 3hxc h TYR 26 N 0.83 0.38 -0.25 4.55 3.20 -0.80 -2.26 116.97 122.61 3hxc h TYR 26 Ca 0.22 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.93 3hxc h TYR 26 Cb -0.09 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3hxc h TYR 26 CO -0.03 0.31 -0.45 0.82 -1.64 0.00 0.00 178.16 177.17 3hxc h ILE 27 N 0.33 1.30 -0.57 1.81 1.08 -1.15 -2.52 117.51 117.80 3hxc h ILE 27 Ca 0.10 -1.65 0.09 0.00 -0.39 0.00 0.00 64.86 63.01 3hxc h ILE 27 Cb 0.06 1.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 3hxc h ILE 27 CO -0.02 0.53 0.38 0.00 -0.69 0.00 0.00 178.15 178.35 3hxc h ALA 28 N 0.65 2.00 -0.02 1.87 0.00 -0.61 -2.20 119.26 120.95 3hxc h ALA 28 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hxc h ALA 28 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hxc h ALA 28 CO 0.10 -0.12 -0.16 0.43 0.00 0.00 0.00 179.25 179.50 3hxc n SER 29 N -4.47 2.02 -4.72 0.00 7.64 -0.86 -4.98 113.62 108.25 3hxc n SER 29 Ca 0.09 -1.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.00 3hxc n SER 29 Cb 0.34 0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 3hxc n SER 29 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hxc s TYR 30 N -2.20 3.16 0.00 1.43 5.04 -0.83 -2.72 117.35 121.22 3hxc s TYR 30 Ca 0.28 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 3hxc s TYR 30 Cb 0.20 -3.76 0.00 0.00 0.35 0.00 0.00 41.96 38.75 3hxc s TYR 30 CO 0.41 -2.64 0.00 0.41 -1.34 0.00 0.00 175.55 172.39 3hxc n GLY 31 N 3.19 0.65 0.07 8.97 0.00 -1.26 -5.06 105.19 111.74 3hxc n GLY 31 Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3hxc n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hxc n SER 32 N 0.24 0.21 0.00 1.61 7.64 -1.10 -5.18 113.62 117.04 3hxc n SER 32 Ca 0.00 -1.74 -0.13 0.00 1.01 0.00 0.00 58.87 58.01 3hxc n SER 32 Cb 0.00 -0.02 -0.09 0.00 -1.01 0.00 0.00 64.21 63.09 3hxc n SER 32 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3hxc h TYR 37 N 0.26 -0.01 0.00 1.43 3.20 -2.06 -3.53 116.97 116.26 3hxc h TYR 37 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hxc h TYR 37 Cb 0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hxc h TYR 37 CO 0.02 0.38 0.00 0.93 -1.64 0.00 0.00 178.16 177.85 3hxc h GLU 38 N -0.41 0.00 -0.08 1.82 4.39 -2.04 -2.79 114.58 115.47 3hxc h GLU 38 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3hxc h GLU 38 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3hxc h GLU 38 CO 0.00 0.00 -0.17 -0.92 -1.16 0.00 0.00 179.01 176.76 3hxc h TYR 39 N 0.00 0.33 0.00 4.33 3.20 -2.03 -2.88 116.97 119.92 3hxc h TYR 39 Ca 0.00 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.67 3hxc h TYR 39 Cb 0.55 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3hxc h TYR 39 CO 0.00 0.77 -0.40 0.00 -1.64 0.00 0.00 178.16 176.90 3hxc h MET 41 N 0.00 0.00 -0.53 0.00 2.86 -1.53 -3.25 114.93 112.48 3hxc h MET 41 Ca -0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 3hxc h MET 41 Cb 0.93 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.44 3hxc h MET 41 CO 0.05 0.00 0.13 -1.13 1.06 0.00 0.00 176.91 177.02 3hxc n SER 42 N -2.41 3.03 0.21 1.22 3.41 -1.08 -4.61 113.62 113.39 3hxc n SER 42 Ca 0.05 -3.65 0.07 0.00 -0.26 0.00 0.00 58.87 55.08 3hxc n SER 42 Cb 0.42 -0.69 0.48 0.00 -0.26 0.00 0.00 64.21 64.16 3hxc n SER 42 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hxc h GLU 43 N 1.15 0.00 0.00 4.33 4.81 -1.61 -2.41 114.58 120.85 3hxc h GLU 43 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3hxc h GLU 43 Cb 1.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.37 3hxc h GLU 43 CO 0.58 0.28 0.00 2.48 -0.73 0.00 0.00 179.01 181.62 3hxc n TYR 44 N -3.72 0.28 -1.25 0.92 4.11 -1.26 -2.00 117.16 114.23 3hxc n TYR 44 Ca -0.01 0.14 0.07 0.00 -0.00 0.00 0.00 57.90 58.10 3hxc n TYR 44 Cb 0.39 -0.72 0.10 0.00 -0.00 0.00 0.00 39.34 39.10 3hxc n TYR 44 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 3hxc n LEU 45 N -1.78 1.77 -0.23 -3.48 -0.00 -0.91 -4.69 117.00 107.68 3hxc n LEU 45 Ca -0.00 -2.54 0.02 0.00 -0.00 0.00 0.00 56.01 53.49 3hxc n LEU 45 Cb 0.04 -0.31 0.14 0.00 -0.00 0.00 0.00 43.42 43.29 3hxc n LEU 45 CO 0.05 0.59 1.00 -0.09 -0.00 0.00 0.00 177.39 178.94 3hxc h ARG 46 N 0.00 0.41 -0.95 1.47 9.65 -1.39 0.72 114.38 124.29 3hxc h ARG 46 Ca 0.00 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 3hxc h ARG 46 Cb 1.08 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.50 3hxc h ARG 46 CO 0.00 0.27 0.61 1.98 2.80 0.00 0.00 179.97 185.63 3hxc h MET 47 N 0.42 1.02 -0.29 0.20 4.05 -1.12 0.19 114.93 119.41 3hxc h MET 47 Ca 0.35 -0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.53 3hxc h MET 47 Cb 0.49 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3hxc h MET 47 CO -0.36 0.68 -0.53 0.77 0.23 0.00 0.00 176.91 177.70 3hxc h SER 48 N 1.05 0.96 -0.70 1.39 0.02 -1.20 -2.02 113.55 113.05 3hxc h SER 48 Ca 0.42 -0.53 0.12 0.00 -0.84 0.00 0.00 61.79 60.96 3hxc h SER 48 Cb 0.26 -0.28 -0.08 0.00 0.14 0.00 0.00 62.40 62.45 3hxc h SER 48 CO -0.18 1.31 0.29 1.23 -1.14 0.00 0.00 176.83 178.34 3hxc h GLY 49 N 0.64 1.03 0.94 -3.77 0.00 -0.30 0.32 103.07 101.93 3hxc h GLY 49 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3hxc h GLY 49 CO 0.12 -0.04 0.16 -2.08 0.00 0.00 0.00 176.54 174.70 3hxc h VAL 50 N 0.47 1.18 -0.55 4.60 2.07 -0.85 -2.25 116.25 120.92 3hxc h VAL 50 Ca 0.37 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.39 3hxc h VAL 50 Cb 0.49 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3hxc h VAL 50 CO -0.34 0.20 0.28 0.22 0.02 0.00 0.00 177.57 177.95 3hxc h TYR 51 N 0.46 0.52 -0.34 1.57 3.20 -0.65 -0.91 116.97 120.81 3hxc h TYR 51 Ca 0.13 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3hxc h TYR 51 Cb 0.16 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3hxc h TYR 51 CO -0.01 0.25 0.19 -1.49 -1.64 0.00 0.00 178.16 175.46 3hxc h TRP 52 N 0.54 0.47 -0.17 -3.82 6.55 -0.73 -0.80 115.95 118.00 3hxc h TRP 52 Ca 0.24 -0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.06 3hxc h TRP 52 Cb 0.15 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.30 3hxc h TRP 52 CO -0.10 0.37 0.05 0.78 -1.05 0.00 0.00 178.44 178.49 3hxc h GLY 53 N 0.43 0.28 1.07 1.49 0.00 -1.17 -1.87 103.07 103.30 3hxc h GLY 53 Ca 0.12 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 3hxc h GLY 53 CO -0.02 0.16 0.04 1.41 0.00 0.00 0.00 176.54 178.13 3hxc h LEU 54 N 0.10 1.04 -0.39 3.11 3.38 -1.10 -1.98 115.31 119.47 3hxc h LEU 54 Ca 0.05 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3hxc h LEU 54 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3hxc h LEU 54 CO -0.00 1.07 0.01 0.74 0.09 0.00 0.00 178.44 180.35 3hxc h THR 55 N 0.97 1.26 -0.41 0.22 2.02 -1.10 -0.78 112.91 115.09 3hxc h THR 55 Ca 0.18 -0.99 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 3hxc h THR 55 Cb 0.51 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3hxc h THR 55 CO 0.02 0.33 -0.24 1.62 0.37 0.00 0.00 175.52 177.63 3hxc h VAL 56 N 0.51 1.27 -0.79 3.16 3.04 -1.30 -0.55 116.25 121.59 3hxc h VAL 56 Ca 0.11 -1.37 -0.03 0.00 -1.01 0.00 0.00 66.70 64.40 3hxc h VAL 56 Cb 0.46 1.21 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 3hxc h VAL 56 CO 0.02 0.46 0.39 0.24 -1.01 0.00 0.00 177.57 177.67 3hxc h MET 57 N 0.72 1.14 -0.56 4.17 2.07 -1.22 -1.26 114.93 119.99 3hxc h MET 57 Ca 0.09 -0.16 -0.11 0.00 -2.07 0.00 0.00 59.70 57.46 3hxc h MET 57 Cb 0.77 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 30.28 3hxc h MET 57 CO 0.06 0.87 -0.07 0.22 1.07 0.00 0.00 176.91 179.06 3hxc h ASP 58 N 1.12 1.03 -0.37 1.22 -0.00 -0.85 0.48 116.42 119.05 3hxc h ASP 58 Ca 0.27 -0.34 0.02 0.00 -0.00 0.00 0.00 57.03 56.99 3hxc h ASP 58 Cb 0.10 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.13 3hxc h ASP 58 CO -0.04 1.12 0.25 -0.07 -0.00 0.00 0.00 179.24 180.50 3hxc h LEU 59 N 0.92 0.35 -0.87 2.28 3.38 -0.71 -1.81 115.31 118.85 3hxc h LEU 59 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hxc h LEU 59 Cb 0.64 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hxc h LEU 59 CO 0.04 0.25 0.00 0.23 0.09 0.00 0.00 178.44 179.05 3hxc n MET 60 N -4.48 1.60 -1.20 1.13 2.81 -0.51 -1.21 117.12 115.26 3hxc n MET 60 Ca 0.03 -0.87 -0.02 0.00 -1.81 0.00 0.00 57.70 55.04 3hxc n MET 60 Cb 0.13 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.16 3hxc n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxc n GLY 61 N 1.15 0.48 0.06 3.03 0.00 -0.58 -4.96 105.19 104.37 3hxc n GLY 61 Ca 0.19 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.30 3hxc n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hxc n GLN 62 N -2.68 1.73 -0.23 1.61 1.13 0.16 -4.79 117.38 114.31 3hxc n GLN 62 Ca -0.02 -2.26 0.10 0.00 -1.94 0.00 0.00 57.00 52.88 3hxc n GLN 62 Cb 0.13 -1.35 0.37 0.00 0.11 0.00 0.00 30.24 29.50 3hxc n GLN 62 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3hxc h LEU 63 N 0.00 0.65 -2.25 1.08 5.85 -1.85 -1.83 115.31 116.96 3hxc h LEU 63 Ca 0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3hxc h LEU 63 Cb 0.87 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3hxc h LEU 63 CO 0.00 0.38 0.21 1.12 -0.34 0.00 0.00 178.44 179.80 3hxc h HIS 64 N 0.72 0.00 0.00 1.25 2.07 -1.92 -0.88 115.15 116.39 3hxc h HIS 64 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 3hxc h HIS 64 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 3hxc h HIS 64 CO -0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3hxc n ARG 65 N -3.71 0.19 -2.76 5.12 1.74 -0.69 -4.75 116.66 111.80 3hxc n ARG 65 Ca 0.01 0.11 -0.20 0.00 -0.77 0.00 0.00 57.85 57.00 3hxc n ARG 65 Cb 0.32 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3hxc n ARG 65 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hxc s MET 66 N -2.72 2.64 -0.80 5.56 -1.94 -0.34 -4.97 119.30 116.74 3hxc s MET 66 Ca 0.16 -0.87 -0.13 0.00 -1.71 0.00 0.00 55.69 53.15 3hxc s MET 66 Cb 0.14 -2.56 0.21 0.00 2.01 0.00 0.00 34.83 34.63 3hxc s MET 66 CO 0.33 -0.58 0.72 1.21 -0.01 0.00 0.00 175.02 176.70 3hxc s ASN 67 N -4.39 6.56 0.10 3.03 3.84 -1.26 -4.94 114.94 117.88 3hxc s ASN 67 Ca 0.56 -2.70 -0.27 0.00 0.21 0.00 0.00 52.86 50.66 3hxc s ASN 67 Cb -0.10 -2.17 -0.12 0.00 -0.55 0.00 0.00 41.25 38.31 3hxc s ASN 67 CO 0.37 -0.55 1.67 0.50 -2.79 0.00 0.00 177.10 176.30 3hxc h LYS 68 N 7.70 -0.38 -0.90 0.43 3.64 -1.91 -2.33 116.57 122.81 3hxc h LYS 68 Ca 0.09 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3hxc h LYS 68 Cb 1.03 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 3hxc h LYS 68 CO 0.75 -0.25 0.50 1.49 -2.27 0.00 0.00 179.45 179.68 3hxc h GLU 69 N -0.39 1.25 -0.68 1.90 4.81 -2.00 -1.06 114.58 118.42 3hxc h GLU 69 Ca -0.00 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3hxc h GLU 69 Cb 0.36 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3hxc h GLU 69 CO -0.03 0.91 0.31 1.49 -0.73 0.00 0.00 179.01 180.96 3hxc h GLU 70 N 1.26 0.98 -0.42 1.92 4.81 -1.96 -2.66 114.58 118.51 3hxc h GLU 70 Ca 0.32 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 3hxc h GLU 70 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hxc h GLU 70 CO -0.05 0.79 -0.25 0.82 -0.73 0.00 0.00 179.01 179.59 3hxc h ILE 71 N 0.94 1.27 -0.74 2.32 2.04 -0.82 -2.43 117.51 120.10 3hxc h ILE 71 Ca 0.23 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 3hxc h ILE 71 Cb 0.14 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3hxc h ILE 71 CO -0.03 0.47 0.33 -0.07 0.00 0.00 0.00 178.15 178.85 3hxc h LEU 72 N 0.75 0.98 -0.41 1.44 3.38 -1.05 0.17 115.31 120.57 3hxc h LEU 72 Ca 0.09 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3hxc h LEU 72 Cb 0.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hxc h LEU 72 CO 0.07 0.85 -0.16 0.58 0.09 0.00 0.00 178.44 179.86 3hxc h VAL 73 N 1.06 1.28 -0.29 1.22 2.07 -1.42 -2.12 116.25 118.05 3hxc h VAL 73 Ca 0.25 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3hxc h VAL 73 Cb 0.15 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hxc h VAL 73 CO -0.03 0.43 0.17 0.15 0.02 0.00 0.00 177.57 178.32 3hxc h PHE 74 N 0.65 0.32 -0.28 1.57 3.57 -1.03 -1.61 116.94 120.12 3hxc h PHE 74 Ca 0.10 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hxc h PHE 74 Cb 0.71 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3hxc h PHE 74 CO 0.05 0.19 0.17 0.82 -2.23 0.00 0.00 178.31 177.31 3hxc h ILE 75 N 0.35 1.04 -1.01 1.41 2.04 -0.89 -1.73 117.51 118.73 3hxc h ILE 75 Ca 0.11 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3hxc h ILE 75 Cb -0.01 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3hxc h ILE 75 CO -0.05 0.06 0.66 0.50 0.00 0.00 0.00 178.15 179.32 3hxc h LYS 76 N 0.34 1.22 0.00 2.37 3.64 -1.21 -1.01 116.57 121.92 3hxc h LYS 76 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hxc h LYS 76 Cb -0.01 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 3hxc h LYS 76 CO -0.04 0.81 0.00 0.77 -2.27 0.00 0.00 179.45 178.72 3hxc h SER 77 N 1.26 0.00 0.26 4.20 0.02 -0.83 -2.90 113.55 115.56 3hxc h SER 77 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3hxc h SER 77 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3hxc h SER 77 CO -0.14 0.00 -0.41 0.00 -1.14 0.00 0.00 176.83 175.15 3hxc s GLN 79 N -2.68 4.43 0.59 0.00 0.74 -1.05 -1.26 119.66 120.43 3hxc s GLN 79 Ca 0.19 1.31 -0.04 0.00 0.05 0.00 0.00 55.36 56.87 3hxc s GLN 79 Cb 0.18 -3.53 0.03 0.00 1.10 0.00 0.00 33.01 30.79 3hxc s GLN 79 CO 0.60 -0.25 0.87 -1.01 -0.55 0.00 0.00 175.29 174.95 3hxc s HIS 80 N 1.80 3.09 0.35 1.67 3.76 0.75 -4.95 115.29 121.75 3hxc s HIS 80 Ca 0.47 0.41 0.04 0.00 -0.15 0.00 0.00 55.06 55.83 3hxc s HIS 80 Cb -0.18 -2.79 0.68 0.00 1.11 0.00 0.00 32.58 31.39 3hxc s HIS 80 CO 0.19 -0.91 1.95 1.05 -0.85 0.00 0.00 174.74 176.16 3hxc h GLU 81 N -0.15 0.81 0.00 1.40 9.09 -1.96 -0.34 114.58 123.42 3hxc h GLU 81 Ca -0.45 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3hxc h GLU 81 Cb 1.28 -0.18 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3hxc h GLU 81 CO 0.58 0.53 0.00 0.00 0.05 0.00 0.00 179.01 180.18 3hxc n GLY 83 N -0.77 2.95 3.81 0.00 0.00 -0.14 -4.20 105.19 106.83 3hxc n GLY 83 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hxc n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxc s GLY 84 N -2.61 1.83 -0.08 -0.02 0.00 -1.26 -3.81 107.32 101.37 3hxc s GLY 84 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3hxc s GLY 84 CO 0.00 0.54 -0.12 0.14 0.00 0.00 0.00 173.10 173.66 3hxc s VAL 85 N -2.81 3.26 0.49 1.40 1.01 -1.26 -0.18 120.40 122.31 3hxc s VAL 85 Ca 0.61 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3hxc s VAL 85 Cb -0.15 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3hxc s VAL 85 CO 0.49 0.57 0.71 -0.94 0.00 0.00 0.00 175.10 175.93 3hxc s SER 86 N -0.47 5.57 0.40 3.32 1.04 -0.39 -1.74 113.70 121.43 3hxc s SER 86 Ca 0.06 0.10 0.18 0.00 0.48 0.00 0.00 55.95 56.77 3hxc s SER 86 Cb -0.12 -1.18 0.83 0.00 0.10 0.00 0.00 66.02 65.65 3hxc s SER 86 CO 0.02 -0.90 1.82 0.00 0.98 0.00 0.00 173.24 175.16 3hxc h ALA 87 N 0.27 1.17 -2.60 5.32 0.00 -1.84 -3.45 119.26 118.13 3hxc h ALA 87 Ca -0.44 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.28 3hxc h ALA 87 Cb 1.27 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 3hxc h ALA 87 CO 0.54 0.42 0.38 0.45 0.00 0.00 0.00 179.25 181.04 3hxc s SER 88 N -6.56 -0.25 0.07 0.00 0.15 -1.26 -0.56 113.70 105.28 3hxc s SER 88 Ca -0.01 -0.40 -0.31 0.00 0.70 0.00 0.00 55.95 55.92 3hxc s SER 88 Cb 0.13 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 64.92 3hxc s SER 88 CO 0.68 -1.03 1.60 -0.63 1.20 0.00 0.00 173.24 175.07 3hxc s ILE 89 N -3.52 3.09 0.00 6.45 1.01 -1.26 -1.72 121.20 125.25 3hxc s ILE 89 Ca 0.10 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.33 3hxc s ILE 89 Cb -0.03 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.07 3hxc s ILE 89 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3hxc n GLY 90 N 3.91 1.41 3.94 6.18 0.00 -1.26 -5.05 105.19 114.32 3hxc n GLY 90 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3hxc n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxc s HIS 91 N -2.43 2.43 0.22 1.61 3.76 -0.70 -5.07 115.29 115.10 3hxc s HIS 91 Ca 0.00 0.28 -0.08 0.00 -0.15 0.00 0.00 55.06 55.11 3hxc s HIS 91 Cb 0.00 -3.32 -0.06 0.00 1.11 0.00 0.00 32.58 30.30 3hxc s HIS 91 CO 0.00 -1.68 0.51 -0.51 -0.85 0.00 0.00 174.74 172.20 3hxc s ASP 92 N -4.62 6.56 0.49 1.40 -0.00 -1.26 -4.76 116.67 114.47 3hxc s ASP 92 Ca 0.64 0.80 -0.22 0.00 -0.00 0.00 0.00 52.55 53.77 3hxc s ASP 92 Cb -0.08 -2.18 -0.07 0.00 -0.00 0.00 0.00 42.92 40.59 3hxc s ASP 92 CO 0.46 -0.06 1.14 -2.16 -0.00 0.00 0.00 175.17 174.55 3hxc s PRO 93 N -2.89 3.62 -0.04 8.23 0.04 -1.26 -4.23 135.00 138.46 3hxc s PRO 93 Ca 0.45 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 3hxc s PRO 93 Cb -0.11 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.23 3hxc s PRO 93 CO 0.23 -0.65 0.51 -1.58 0.04 0.00 0.00 177.00 175.56 3hxc s HIS 94 N -1.65 -0.45 0.39 0.56 2.46 -0.71 -4.83 115.29 111.06 3hxc s HIS 94 Ca 0.67 0.78 0.10 0.00 0.47 0.00 0.00 55.06 57.07 3hxc s HIS 94 Cb -0.26 0.26 0.87 0.00 -0.13 0.00 0.00 32.58 33.32 3hxc s HIS 94 CO 0.31 -0.49 1.95 -0.07 -2.47 0.00 0.00 174.74 173.97 3hxc h LEU 95 N 3.53 0.55 -0.31 8.88 3.38 -1.40 -1.39 115.31 128.54 3hxc h LEU 95 Ca -0.28 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.74 3hxc h LEU 95 Cb 1.16 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3hxc h LEU 95 CO 0.38 0.33 0.07 -0.07 0.09 0.00 0.00 178.44 179.24 3hxc h LEU 96 N 0.61 0.02 0.00 1.67 3.38 -1.91 -1.45 115.31 117.63 3hxc h LEU 96 Ca 0.32 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 3hxc h LEU 96 Cb 0.46 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hxc h LEU 96 CO -0.11 0.05 -0.75 1.88 0.09 0.00 0.00 178.44 179.60 3hxc h TYR 97 N 0.18 0.00 -0.36 1.13 0.05 -1.70 -2.32 116.97 113.94 3hxc h TYR 97 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 3hxc h TYR 97 Cb 0.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 3hxc h TYR 97 CO -0.17 0.28 0.20 1.15 -1.05 0.00 0.00 178.16 178.58 3hxc h THR 98 N 0.00 1.14 0.09 -2.88 2.02 -1.18 -0.05 112.91 112.05 3hxc h THR 98 Ca -0.04 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3hxc h THR 98 Cb 1.25 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 3hxc h THR 98 CO 0.03 0.14 -0.04 0.25 0.37 0.00 0.00 175.52 176.27 3hxc h LEU 99 N 0.46 -0.10 -0.58 2.58 5.85 -1.16 -1.84 115.31 120.52 3hxc h LEU 99 Ca 0.13 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.84 3hxc h LEU 99 Cb 0.05 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 3hxc h LEU 99 CO -0.02 0.04 0.15 0.28 -0.34 0.00 0.00 178.44 178.55 3hxc h SER 100 N -0.24 0.08 -0.45 1.25 0.02 -1.39 0.11 113.55 112.92 3hxc h SER 100 Ca -0.01 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3hxc h SER 100 Cb 0.20 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3hxc h SER 100 CO 0.02 0.06 0.27 0.00 -1.14 0.00 0.00 176.83 176.04 3hxc h ALA 101 N 1.43 0.58 -0.35 3.77 0.00 -0.85 -1.20 119.26 122.64 3hxc h ALA 101 Ca 0.30 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3hxc h ALA 101 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hxc h ALA 101 CO -0.35 -0.03 -0.22 0.28 0.00 0.00 0.00 179.25 178.92 3hxc h VAL 102 N 0.55 1.27 -0.64 0.00 2.07 -0.63 -1.14 116.25 117.74 3hxc h VAL 102 Ca 0.18 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3hxc h VAL 102 Cb -0.00 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3hxc h VAL 102 CO -0.07 0.43 0.39 1.56 0.02 0.00 0.00 177.57 179.89 3hxc h GLN 103 N 0.61 0.87 -0.08 1.57 4.20 -0.43 -0.80 115.11 121.05 3hxc h GLN 103 Ca 0.09 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hxc h GLN 103 Cb 0.71 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3hxc h GLN 103 CO 0.05 0.62 0.04 0.82 -0.67 0.00 0.00 178.83 179.69 3hxc h ILE 104 N 0.87 1.09 -0.17 2.54 2.04 -0.78 -0.35 117.51 122.74 3hxc h ILE 104 Ca 0.23 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3hxc h ILE 104 Cb -0.03 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3hxc h ILE 104 CO -0.04 0.08 -0.11 -0.07 0.00 0.00 0.00 178.15 178.01 3hxc h LEU 105 N 0.02 0.26 -0.08 1.44 3.38 -1.12 -1.14 115.31 118.07 3hxc h LEU 105 Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hxc h LEU 105 Cb 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hxc h LEU 105 CO -0.00 0.40 -0.00 0.74 0.09 0.00 0.00 178.44 179.66 3hxc h THR 106 N 0.26 1.26 -0.93 0.22 2.02 -0.88 0.26 112.91 115.12 3hxc h THR 106 Ca 0.05 -0.81 0.22 0.00 0.77 0.00 0.00 66.41 66.65 3hxc h THR 106 Cb 0.35 1.64 -0.12 0.00 -1.74 0.00 0.00 68.15 68.28 3hxc h THR 106 CO 0.02 0.23 0.47 -0.07 0.37 0.00 0.00 175.52 176.53 3hxc h LEU 107 N -0.15 0.48 -1.67 2.58 3.38 -0.45 -2.20 115.31 117.28 3hxc h LEU 107 Ca 0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hxc h LEU 107 Cb 0.35 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hxc h LEU 107 CO 0.00 0.06 0.00 -1.22 0.09 0.00 0.00 178.44 177.38 3hxc n TYR 108 N -4.97 0.24 -3.96 1.13 4.01 -0.49 -4.96 117.16 108.16 3hxc n TYR 108 Ca 0.23 -0.12 -0.28 0.00 -0.16 0.00 0.00 57.90 57.57 3hxc n TYR 108 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.68 3hxc n TYR 108 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hxc n ASP 109 N 0.91 -1.98 -2.62 7.72 2.03 0.62 -4.90 116.55 118.34 3hxc n ASP 109 Ca 0.17 -0.93 -0.07 0.00 0.52 0.00 0.00 54.79 54.48 3hxc n ASP 109 Cb 0.48 -3.32 0.04 0.00 -0.72 0.00 0.00 41.12 37.60 3hxc n ASP 109 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hxc n SER 110 N -2.90 2.46 0.25 1.67 7.64 0.41 -4.91 113.62 118.25 3hxc n SER 110 Ca -0.16 -2.56 0.08 0.00 1.01 0.00 0.00 58.87 57.24 3hxc n SER 110 Cb 0.61 -0.45 0.62 0.00 -1.01 0.00 0.00 64.21 63.98 3hxc n SER 110 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hxc h ILE 111 N 4.44 1.01 0.00 0.44 1.08 -1.91 -1.89 117.51 120.68 3hxc h ILE 111 Ca -0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 3hxc h ILE 111 Cb 1.31 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 3hxc h ILE 111 CO 0.37 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 3hxc n HIS 112 N -4.46 0.00 0.19 1.37 1.44 -1.26 -2.56 115.22 109.94 3hxc n HIS 112 Ca -0.03 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.73 3hxc n HIS 112 Cb 0.13 -0.45 0.49 0.00 0.12 0.00 0.00 29.99 30.27 3hxc n HIS 112 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3hxc h VAL 113 N 0.00 1.13 -1.34 0.61 2.07 -1.76 -3.44 116.25 113.52 3hxc h VAL 113 Ca 0.00 -0.57 -0.57 0.00 0.82 0.00 0.00 66.70 66.38 3hxc h VAL 113 Cb 0.16 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 3hxc h VAL 113 CO 0.00 0.17 -0.46 0.27 0.02 0.00 0.00 177.57 177.57 3hxc s ILE 114 N -4.76 2.15 -0.68 4.57 -4.36 -1.06 -4.76 121.20 112.30 3hxc s ILE 114 Ca -0.05 -1.66 -0.23 0.00 -0.26 0.00 0.00 60.65 58.45 3hxc s ILE 114 Cb 0.16 -2.81 0.06 0.00 1.25 0.00 0.00 42.46 41.13 3hxc s ILE 114 CO 0.70 0.00 1.03 0.21 0.24 0.00 0.00 174.94 177.13 3hxc s ASN 115 N -3.98 6.18 0.18 4.36 3.04 -1.26 -4.91 114.94 118.55 3hxc s ASN 115 Ca 0.38 -0.91 -0.10 0.00 0.04 0.00 0.00 52.86 52.27 3hxc s ASN 115 Cb 0.02 -2.45 0.07 0.00 -1.54 0.00 0.00 41.25 37.36 3hxc s ASN 115 CO 0.21 -1.51 1.67 0.58 -3.04 0.00 0.00 177.10 175.01 3hxc h VAL 116 N 5.99 1.26 -0.91 -5.21 2.07 -1.94 -2.06 116.25 115.45 3hxc h VAL 116 Ca -0.28 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.26 3hxc h VAL 116 Cb 1.07 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3hxc h VAL 116 CO 1.20 0.38 0.60 0.44 0.02 0.00 0.00 177.57 180.21 3hxc h ASP 117 N 0.94 0.98 0.46 0.57 3.32 -2.00 -0.98 116.42 119.72 3hxc h ASP 117 Ca 0.19 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 3hxc h ASP 117 Cb 0.44 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3hxc h ASP 117 CO 0.01 0.67 -0.82 0.11 -1.72 0.00 0.00 179.24 177.50 3hxc h LYS 118 N 1.14 0.27 -0.10 3.56 1.57 -1.83 -1.67 116.57 119.50 3hxc h LYS 118 Ca 0.36 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3hxc h LYS 118 Cb 0.02 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hxc h LYS 118 CO -0.11 0.95 0.03 0.28 -0.57 0.00 0.00 179.45 180.03 3hxc h VAL 119 N 0.16 0.98 -0.46 0.50 2.07 -0.73 -0.37 116.25 118.39 3hxc h VAL 119 Ca -0.04 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3hxc h VAL 119 Cb 1.42 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3hxc h VAL 119 CO 0.13 0.02 0.21 0.58 0.02 0.00 0.00 177.57 178.52 3hxc h VAL 120 N 0.09 0.93 -0.77 2.57 2.07 -1.13 -0.95 116.25 119.06 3hxc h VAL 120 Ca 0.04 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3hxc h VAL 120 Cb 0.02 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3hxc h VAL 120 CO -0.04 0.08 0.38 0.00 0.02 0.00 0.00 177.57 178.00 3hxc h ALA 121 N 1.26 0.99 0.12 1.67 0.00 -1.05 -0.30 119.26 121.95 3hxc h ALA 121 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hxc h ALA 121 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hxc h ALA 121 CO -0.17 0.54 -0.06 -0.92 0.00 0.00 0.00 179.25 178.64 3hxc h TYR 122 N 1.08 -0.16 0.06 0.00 3.20 -0.57 -1.07 116.97 119.51 3hxc h TYR 122 Ca 0.27 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3hxc h TYR 122 Cb 0.10 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3hxc h TYR 122 CO 0.01 -0.10 -0.05 0.28 -1.64 0.00 0.00 178.16 176.65 3hxc h VAL 123 N -0.17 0.87 -0.97 1.81 2.07 -0.97 -2.14 116.25 116.75 3hxc h VAL 123 Ca -0.02 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.72 3hxc h VAL 123 Cb 0.13 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 30.66 3hxc h VAL 123 CO 0.02 0.00 0.54 -0.61 0.02 0.00 0.00 177.57 177.55 3hxc h GLN 124 N -0.13 0.58 0.00 1.57 4.15 -1.01 -1.95 115.11 118.32 3hxc h GLN 124 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3hxc h GLN 124 Cb 0.12 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3hxc h GLN 124 CO -0.01 0.38 0.00 0.66 -1.93 0.00 0.00 178.83 177.93 3hxc h SER 125 N 0.59 0.00 0.11 -0.69 4.64 -0.50 -3.03 113.55 114.67 3hxc h SER 125 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3hxc h SER 125 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hxc h SER 125 CO -0.45 0.00 -0.29 0.18 -0.87 0.00 0.00 176.83 175.39 3hxc n LEU 126 N -2.83 1.53 -4.75 5.97 4.77 -0.73 -4.90 117.00 116.06 3hxc n LEU 126 Ca 0.01 -0.50 -0.40 0.00 -0.03 0.00 0.00 56.01 55.09 3hxc n LEU 126 Cb 0.28 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 3hxc n LEU 126 CO 0.25 0.28 0.69 -1.58 -1.33 0.00 0.00 177.39 175.70 3hxc s GLN 127 N -2.42 4.79 0.43 3.23 0.74 -1.15 -1.70 119.66 123.58 3hxc s GLN 127 Ca 0.24 1.58 0.08 0.00 0.05 0.00 0.00 55.36 57.30 3hxc s GLN 127 Cb 0.19 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 31.05 3hxc s GLN 127 CO 0.51 0.43 0.48 0.15 -0.55 0.00 0.00 175.29 176.30 3hxc s LYS 128 N -1.27 2.64 0.36 1.67 -0.14 0.13 -4.98 119.74 118.16 3hxc s LYS 128 Ca 0.42 -1.43 0.05 0.00 -1.36 0.00 0.00 55.97 53.65 3hxc s LYS 128 Cb -0.28 -2.54 0.71 0.00 -1.68 0.00 0.00 37.83 34.04 3hxc s LYS 128 CO 0.34 -0.26 1.97 0.93 -0.76 0.00 0.00 175.35 177.57 3hxc h GLU 129 N 0.82 0.77 0.00 1.68 5.08 -1.97 -0.42 114.58 120.54 3hxc h GLU 129 Ca -0.40 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3hxc h GLU 129 Cb 1.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hxc h GLU 129 CO 0.51 0.51 0.00 -0.40 -1.00 0.00 0.00 179.01 178.63 3hxc n ASP 130 N -4.47 0.00 0.00 1.42 5.75 -1.26 -4.87 116.55 113.11 3hxc n ASP 130 Ca 0.10 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 3hxc n ASP 130 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3hxc n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxc n GLY 131 N 0.80 1.24 3.74 6.12 0.00 -0.17 -4.16 105.19 112.77 3hxc n GLY 131 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3hxc n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxc s SER 132 N -1.84 3.62 -0.08 1.61 1.04 -1.26 -3.89 113.70 112.91 3hxc s SER 132 Ca 0.00 1.31 0.05 0.00 0.48 0.00 0.00 55.95 57.79 3hxc s SER 132 Cb 0.00 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.13 3hxc s SER 132 CO 0.00 -2.52 -0.24 -0.36 0.98 0.00 0.00 173.24 171.09 3hxc s PHE 133 N -3.05 2.50 0.51 5.02 0.40 -1.26 0.22 117.98 122.32 3hxc s PHE 133 Ca 0.63 -0.86 -0.17 0.00 -0.60 0.00 0.00 56.93 55.93 3hxc s PHE 133 Cb -0.17 -1.65 -0.08 0.00 0.51 0.00 0.00 43.02 41.64 3hxc s PHE 133 CO 0.56 -0.30 0.99 0.00 0.70 0.00 0.00 175.22 177.17 3hxc s ALA 134 N 0.05 3.02 0.25 5.36 0.00 -0.69 -3.55 121.76 126.20 3hxc s ALA 134 Ca -0.10 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.20 3hxc s ALA 134 Cb -0.16 -3.14 0.27 0.00 0.00 0.00 0.00 23.12 20.10 3hxc s ALA 134 CO 0.06 -0.27 1.56 0.78 0.00 0.00 0.00 175.76 177.90 3hxc h GLY 135 N 1.00 0.04 -0.01 0.00 0.00 -1.55 -3.47 103.07 99.07 3hxc h GLY 135 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3hxc h GLY 135 CO 0.61 0.05 0.00 2.09 0.00 0.00 0.00 176.54 179.29 3hxc n ASP 136 N -3.76 -0.03 0.18 0.19 5.68 -1.26 -1.09 116.55 116.45 3hxc n ASP 136 Ca -0.01 -1.02 0.13 0.00 -0.50 0.00 0.00 54.79 53.39 3hxc n ASP 136 Cb 0.65 0.05 0.65 0.00 -1.14 0.00 0.00 41.12 41.34 3hxc n ASP 136 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 3hxc h ILE 137 N 1.01 0.00 -0.01 2.12 3.07 -1.93 -2.60 117.51 119.18 3hxc h ILE 137 Ca -0.00 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.36 3hxc h ILE 137 Cb 0.02 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 3hxc h ILE 137 CO 0.01 0.00 -0.14 0.79 -1.05 0.00 0.00 178.15 177.76 3hxc n TRP 138 N -2.37 0.00 -0.40 0.16 7.02 -1.26 -4.97 117.44 115.62 3hxc n TRP 138 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3hxc n TRP 138 Cb 0.07 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3hxc n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hxc n GLY 139 N 1.26 0.79 3.68 6.99 0.00 -0.98 -5.02 105.19 111.91 3hxc n GLY 139 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hxc n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxc s GLU 140 N -0.60 4.19 -0.20 1.61 2.12 -1.26 -4.84 118.70 119.72 3hxc s GLU 140 Ca 0.00 2.30 -0.09 0.00 0.36 0.00 0.00 54.97 57.53 3hxc s GLU 140 Cb 0.00 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 3hxc s GLU 140 CO 0.00 -0.78 0.11 0.42 -0.54 0.00 0.00 175.26 174.47 3hxc s ILE 141 N 3.21 5.22 -0.26 -3.70 -1.09 -1.26 -1.39 121.20 121.92 3hxc s ILE 141 Ca 0.75 0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 59.09 3hxc s ILE 141 Cb -0.38 -3.38 0.07 0.00 -1.58 0.00 0.00 42.46 37.19 3hxc s ILE 141 CO 0.32 0.44 0.68 -0.62 -1.23 0.00 0.00 174.94 174.52 3hxc s ASP 142 N 0.43 -0.79 0.63 3.58 -1.08 -1.23 -4.78 116.67 113.43 3hxc s ASP 142 Ca 0.07 1.41 0.32 0.00 -0.52 0.00 0.00 52.55 53.82 3hxc s ASP 142 Cb -0.12 1.37 1.75 0.00 -1.46 0.00 0.00 42.92 44.46 3hxc s ASP 142 CO -0.01 -0.24 2.05 0.71 0.52 0.00 0.00 175.17 178.21 3hxc h THR 143 N 4.47 0.22 -0.98 1.71 1.35 -1.02 0.18 112.91 118.83 3hxc h THR 143 Ca -0.30 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.75 3hxc h THR 143 Cb 1.19 0.77 -0.10 0.00 -1.73 0.00 0.00 68.15 68.28 3hxc h THR 143 CO 0.11 0.00 0.58 0.03 -0.25 0.00 0.00 175.52 176.00 3hxc h ARG 144 N 0.00 0.73 0.00 4.72 3.08 -1.92 -2.39 114.38 118.59 3hxc h ARG 144 Ca 0.06 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 3hxc h ARG 144 Cb 0.57 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3hxc h ARG 144 CO -0.00 0.48 -0.89 0.74 -1.07 0.00 0.00 179.97 179.23 3hxc h PHE 145 N 0.75 0.00 -0.66 3.04 0.05 -0.94 -0.97 116.94 118.21 3hxc h PHE 145 Ca 0.56 0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.40 3hxc h PHE 145 Cb 0.85 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.75 3hxc h PHE 145 CO -0.02 0.89 0.38 0.77 -0.18 0.00 0.00 178.31 180.15 3hxc h SER 146 N 0.00 0.58 -0.15 2.17 0.02 -1.44 0.23 113.55 114.96 3hxc h SER 146 Ca -0.01 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3hxc h SER 146 Cb 1.57 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 3hxc h SER 146 CO 0.12 0.39 -0.02 0.15 -1.14 0.00 0.00 176.83 176.32 3hxc h PHE 147 N 0.72 0.32 -0.80 3.45 3.57 -1.25 -2.30 116.94 120.64 3hxc h PHE 147 Ca 0.29 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.80 3hxc h PHE 147 Cb 0.13 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 3hxc h PHE 147 CO -0.07 0.54 0.46 0.00 -2.23 0.00 0.00 178.31 177.01 3hxc h ALA 149 N 1.42 -0.45 -0.04 0.00 0.00 -0.89 -1.33 119.26 117.99 3hxc h ALA 149 Ca 0.37 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 3hxc h ALA 149 Cb 0.29 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hxc h ALA 149 CO -0.22 -0.70 -0.76 -0.39 0.00 0.00 0.00 179.25 177.18 3hxc h VAL 150 N -0.54 1.43 -0.47 0.00 -1.51 -1.22 -1.70 116.25 112.23 3hxc h VAL 150 Ca -0.05 -2.31 -0.06 0.00 -1.23 0.00 0.00 66.70 63.06 3hxc h VAL 150 Cb 0.40 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 3hxc h VAL 150 CO 0.07 0.68 0.07 0.00 -1.23 0.00 0.00 177.57 177.16 3hxc h ALA 151 N 1.03 0.63 0.19 5.19 0.00 -1.01 0.10 119.26 125.40 3hxc h ALA 151 Ca -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3hxc h ALA 151 Cb 1.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hxc h ALA 151 CO 0.12 0.36 -0.11 1.15 0.00 0.00 0.00 179.25 180.77 3hxc h THR 152 N 0.65 0.76 -0.73 0.00 2.02 -1.18 -2.37 112.91 112.07 3hxc h THR 152 Ca 0.14 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 3hxc h THR 152 Cb 0.40 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3hxc h THR 152 CO 0.01 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 176.05 3hxc h LEU 153 N -0.29 1.07 -0.62 2.58 3.38 -1.23 -2.49 115.31 117.70 3hxc h LEU 153 Ca -0.02 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.81 3hxc h LEU 153 Cb 0.24 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3hxc h LEU 153 CO 0.03 1.00 0.30 0.00 0.09 0.00 0.00 178.44 179.86 3hxc h ALA 154 N 1.11 0.82 0.00 1.53 0.00 -0.77 0.29 119.26 122.25 3hxc h ALA 154 Ca 0.24 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3hxc h ALA 154 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3hxc h ALA 154 CO -0.01 -0.06 -0.28 -0.07 0.00 0.00 0.00 179.25 178.83 3hxc h LEU 155 N 0.56 0.00 -0.56 0.00 3.38 -1.17 -2.41 115.31 115.10 3hxc h LEU 155 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3hxc h LEU 155 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hxc h LEU 155 CO -0.22 0.28 -0.29 0.18 0.09 0.00 0.00 178.44 178.49 3hxc n LEU 156 N -3.79 1.16 -0.75 1.67 4.77 -0.86 -4.97 117.00 114.23 3hxc n LEU 156 Ca -0.01 -0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 3hxc n LEU 156 Cb 0.38 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3hxc n LEU 156 CO 0.35 0.22 -0.09 0.61 -1.33 0.00 0.00 177.39 177.16 3hxc n GLY 157 N 1.35 0.32 1.37 -0.72 0.00 -0.04 -4.96 105.19 102.51 3hxc n GLY 157 Ca 0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 3hxc n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxc n LYS 158 N -2.00 1.74 0.24 1.61 4.76 0.84 -4.79 118.16 120.55 3hxc n LYS 158 Ca -0.08 -3.25 0.10 0.00 -2.87 0.00 0.00 58.31 52.21 3hxc n LYS 158 Cb 0.47 -1.42 0.70 0.00 -1.84 0.00 0.00 35.03 32.93 3hxc n LYS 158 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hxc h LEU 159 N 1.45 0.00 0.00 -0.35 6.46 -1.90 -1.62 115.31 119.35 3hxc h LEU 159 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3hxc h LEU 159 Cb 1.35 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 3hxc h LEU 159 CO 0.22 0.00 0.00 -0.90 -0.62 0.00 0.00 178.44 177.14 3hxc n ASP 160 N -4.39 0.00 0.19 1.25 3.85 -1.26 -3.02 116.55 113.17 3hxc n ASP 160 Ca -0.02 0.25 0.13 0.00 -0.71 0.00 0.00 54.79 54.45 3hxc n ASP 160 Cb 0.14 -0.35 0.40 0.00 -1.35 0.00 0.00 41.12 39.95 3hxc n ASP 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hxc h ALA 161 N 2.43 1.00 -1.38 2.12 0.00 -1.69 -3.46 119.26 118.28 3hxc h ALA 161 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3hxc h ALA 161 Cb 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3hxc h ALA 161 CO 0.00 0.00 -0.39 0.96 0.00 0.00 0.00 179.25 179.82 3hxc s ILE 162 N -3.29 2.42 -0.82 0.00 -5.25 -1.17 -4.86 121.20 108.23 3hxc s ILE 162 Ca 0.06 -1.44 -0.23 0.00 -0.99 0.00 0.00 60.65 58.05 3hxc s ILE 162 Cb 0.09 -2.86 0.07 0.00 2.95 0.00 0.00 42.46 42.71 3hxc s ILE 162 CO 0.58 0.00 1.17 0.21 -1.79 0.00 0.00 174.94 175.11 3hxc s ASN 163 N -4.11 6.35 0.01 4.36 3.84 -1.26 -4.90 114.94 119.23 3hxc s ASN 163 Ca 0.45 -1.22 -0.23 0.00 0.21 0.00 0.00 52.86 52.07 3hxc s ASN 163 Cb -0.01 -2.48 -0.18 0.00 -0.55 0.00 0.00 41.25 38.03 3hxc s ASN 163 CO 0.26 -1.45 1.27 0.58 -2.79 0.00 0.00 177.10 174.96 3hxc h VAL 164 N 6.13 1.39 -0.58 -5.21 2.07 -1.93 -1.35 116.25 116.77 3hxc h VAL 164 Ca -0.08 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.12 3hxc h VAL 164 Cb 1.04 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.88 3hxc h VAL 164 CO 1.24 0.39 0.31 -0.08 0.02 0.00 0.00 177.57 179.44 3hxc h GLU 165 N -0.23 0.57 -0.47 1.57 4.57 -1.99 0.22 114.58 118.82 3hxc h GLU 165 Ca 0.01 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 3hxc h GLU 165 Cb 0.68 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3hxc h GLU 165 CO 0.03 0.38 -0.05 0.87 -1.18 0.00 0.00 179.01 179.05 3hxc h LYS 166 N 0.59 0.82 -0.59 1.92 1.79 -1.92 -0.69 116.57 118.49 3hxc h LYS 166 Ca 0.26 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 3hxc h LYS 166 Cb 0.16 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.70 3hxc h LYS 166 CO -0.17 0.86 0.26 0.00 -1.08 0.00 0.00 179.45 179.32 3hxc h ALA 167 N 1.18 0.77 -0.08 3.86 0.00 -0.37 -1.34 119.26 123.28 3hxc h ALA 167 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hxc h ALA 167 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hxc h ALA 167 CO 0.03 0.35 0.04 0.82 0.00 0.00 0.00 179.25 180.49 3hxc h ILE 168 N 0.81 1.00 -0.82 0.00 2.04 -0.36 -2.23 117.51 117.96 3hxc h ILE 168 Ca 0.20 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.13 3hxc h ILE 168 Cb 0.16 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 3hxc h ILE 168 CO -0.02 0.02 0.46 -0.08 0.00 0.00 0.00 178.15 178.52 3hxc h GLU 169 N 0.09 0.73 -0.15 2.37 4.81 -0.87 0.12 114.58 121.69 3hxc h GLU 169 Ca 0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3hxc h GLU 169 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hxc h GLU 169 CO -0.02 0.49 0.04 0.35 -0.73 0.00 0.00 179.01 179.14 3hxc h PHE 170 N 0.76 0.24 -0.64 0.92 3.57 -1.11 -1.27 116.94 119.41 3hxc h PHE 170 Ca 0.40 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 3hxc h PHE 170 Cb 0.39 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3hxc h PHE 170 CO -0.07 0.35 0.34 0.28 -2.23 0.00 0.00 178.31 176.98 3hxc h VAL 171 N 0.05 1.21 -0.06 1.41 2.07 -0.81 -2.04 116.25 118.08 3hxc h VAL 171 Ca 0.05 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3hxc h VAL 171 Cb 0.23 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hxc h VAL 171 CO -0.00 0.23 -0.24 -0.07 0.02 0.00 0.00 177.57 177.51 3hxc h LEU 172 N 0.88 0.10 -0.68 2.57 3.38 -0.94 -1.18 115.31 119.43 3hxc h LEU 172 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hxc h LEU 172 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hxc h LEU 172 CO -0.03 0.35 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 3hxc n SER 173 N -4.21 0.43 -0.90 -0.43 3.41 -0.48 -1.83 113.62 109.59 3hxc n SER 173 Ca -0.02 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 3hxc n SER 173 Cb 0.32 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.83 3hxc n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxc s MET 175 N -1.52 4.56 0.47 0.00 0.00 -0.76 -2.67 119.30 119.38 3hxc s MET 175 Ca 0.35 1.22 0.05 0.00 0.00 0.00 0.00 55.69 57.31 3hxc s MET 175 Cb 0.20 -3.03 -0.03 0.00 0.00 0.00 0.00 34.83 31.97 3hxc s MET 175 CO 0.27 0.43 0.14 -0.80 0.00 0.00 0.00 175.02 175.06 3hxc s ASN 176 N -1.42 4.28 0.53 1.11 0.01 0.88 -4.96 114.94 115.36 3hxc s ASN 176 Ca 0.43 -1.34 0.24 0.00 -0.71 0.00 0.00 52.86 51.48 3hxc s ASN 176 Cb -0.21 0.01 1.37 0.00 0.41 0.00 0.00 41.25 42.84 3hxc s ASN 176 CO 0.25 -0.73 2.02 2.19 -1.51 0.00 0.00 177.10 179.32 3hxc h PHE 177 N 1.34 0.01 -0.22 2.20 -5.15 -1.97 -1.20 116.94 111.95 3hxc h PHE 177 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 3hxc h PHE 177 Cb 1.28 -0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3hxc h PHE 177 CO 0.99 0.01 0.00 -0.40 -2.00 0.00 0.00 178.31 176.91 3hxc n ASP 178 N -4.40 2.14 0.00 -0.68 5.68 -1.26 -4.93 116.55 113.10 3hxc n ASP 178 Ca 0.08 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3hxc n ASP 178 Cb 0.53 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3hxc n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxc n GLY 179 N 1.23 1.13 0.00 6.12 0.00 -0.45 -4.25 105.19 108.97 3hxc n GLY 179 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hxc n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxc n GLY 180 N -2.00 0.48 2.97 -0.02 0.00 -1.26 -4.58 105.19 100.78 3hxc n GLY 180 Ca 0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 3hxc n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxc s PHE 181 N 0.13 0.35 0.22 1.61 0.40 -1.26 -0.08 117.98 119.35 3hxc s PHE 181 Ca 0.00 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3hxc s PHE 181 Cb 0.00 -0.22 0.01 0.00 0.51 0.00 0.00 43.02 43.32 3hxc s PHE 181 CO 0.00 -0.08 0.08 0.41 0.70 0.00 0.00 175.22 176.33 3hxc n GLY 182 N 2.16 3.46 0.25 4.36 0.00 -1.09 -2.77 105.19 111.55 3hxc n GLY 182 Ca -0.19 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.52 3hxc n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxc s ARG 184 N -5.99 1.21 0.16 0.00 0.52 -1.26 -0.45 118.95 113.14 3hxc s ARG 184 Ca -0.13 -1.43 -0.34 0.00 -0.52 0.00 0.00 55.73 53.31 3hxc s ARG 184 Cb 0.13 0.33 -0.14 0.00 0.52 0.00 0.00 34.95 35.79 3hxc s ARG 184 CO 0.77 -0.42 1.56 -2.30 0.02 0.00 0.00 175.30 174.93 3hxc n PRO 185 N -0.25 2.11 -0.09 3.54 -0.02 -1.26 -0.94 135.00 138.08 3hxc n PRO 185 Ca -0.02 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3hxc n PRO 185 Cb 0.64 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3hxc n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxc n GLY 186 N 3.35 1.40 3.79 -1.23 0.00 -1.26 -5.05 105.19 106.20 3hxc n GLY 186 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hxc n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxc s SER 187 N -3.03 6.80 0.50 1.61 0.01 -0.12 -5.01 113.70 114.45 3hxc s SER 187 Ca 0.00 1.90 -0.21 0.00 1.31 0.00 0.00 55.95 58.95 3hxc s SER 187 Cb 0.00 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 3hxc s SER 187 CO 0.00 -0.46 1.15 -0.70 0.41 0.00 0.00 173.24 173.64 3hxc s GLU 188 N -2.75 3.57 0.35 12.44 2.12 -1.26 -3.82 118.70 129.36 3hxc s GLU 188 Ca 0.60 1.72 -0.28 0.00 0.36 0.00 0.00 54.97 57.36 3hxc s GLU 188 Cb -0.17 -2.24 -0.11 0.00 0.26 0.00 0.00 34.13 31.88 3hxc s GLU 188 CO 0.22 -0.69 1.40 -1.12 -0.54 0.00 0.00 175.26 174.53 3hxc s SER 189 N -1.52 6.55 -0.15 -1.70 0.01 -1.26 -4.00 113.70 111.62 3hxc s SER 189 Ca 0.68 2.87 -0.12 0.00 1.31 0.00 0.00 55.95 60.69 3hxc s SER 189 Cb -0.27 -2.66 0.04 0.00 0.21 0.00 0.00 66.02 63.35 3hxc s SER 189 CO 0.32 -0.71 0.39 -2.28 0.41 0.00 0.00 173.24 171.36 3hxc s HIS 190 N -1.08 -0.47 0.27 2.43 2.46 -1.12 -4.91 115.29 112.89 3hxc s HIS 190 Ca 0.51 1.10 -0.00 0.00 0.47 0.00 0.00 55.06 57.14 3hxc s HIS 190 Cb -0.43 0.17 0.49 0.00 -0.13 0.00 0.00 32.58 32.68 3hxc s HIS 190 CO 0.58 -0.24 1.85 0.00 -2.47 0.00 0.00 174.74 174.45 3hxc h ALA 191 N 6.02 1.46 -0.22 1.58 0.00 -1.37 -0.26 119.26 126.46 3hxc h ALA 191 Ca -0.30 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3hxc h ALA 191 Cb 1.18 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3hxc h ALA 191 CO 0.27 0.30 -0.06 0.78 0.00 0.00 0.00 179.25 180.54 3hxc h GLY 192 N 1.05 0.15 1.28 0.00 0.00 -1.90 0.47 103.07 104.13 3hxc h GLY 192 Ca 0.47 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.83 3hxc h GLY 192 CO -0.23 -0.09 0.15 1.46 0.00 0.00 0.00 176.54 177.83 3hxc h GLN 193 N -0.01 0.90 -0.55 4.80 7.50 -1.62 -2.23 115.11 123.90 3hxc h GLN 193 Ca 0.11 -0.19 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 3hxc h GLN 193 Cb 0.18 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 3hxc h GLN 193 CO -0.24 0.80 0.21 0.82 -1.50 0.00 0.00 178.83 178.93 3hxc h ILE 194 N 0.87 1.22 -0.34 2.54 2.04 -0.80 -0.00 117.51 123.05 3hxc h ILE 194 Ca 0.19 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.36 3hxc h ILE 194 Cb 0.30 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3hxc h ILE 194 CO -0.00 0.27 0.18 0.22 0.00 0.00 0.00 178.15 178.82 3hxc h TYR 195 N 0.76 0.34 -0.28 1.37 3.20 -0.71 0.16 116.97 121.80 3hxc h TYR 195 Ca 0.18 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.93 3hxc h TYR 195 Cb 0.22 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3hxc h TYR 195 CO 0.01 0.19 -0.38 0.00 -1.64 0.00 0.00 178.16 176.34 3hxc h THR 198 N 0.39 1.27 -0.27 0.00 1.35 -0.68 -0.20 112.91 114.76 3hxc h THR 198 Ca -0.07 -1.31 0.05 0.00 -0.55 0.00 0.00 66.41 64.52 3hxc h THR 198 Cb 1.44 1.05 -0.04 0.00 -1.73 0.00 0.00 68.15 68.87 3hxc h THR 198 CO 0.16 0.46 -0.02 1.23 -0.25 0.00 0.00 175.52 177.10 3hxc h GLY 199 N 0.92 0.24 0.41 5.82 0.00 -1.00 0.52 103.07 109.99 3hxc h GLY 199 Ca 0.12 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.57 3hxc h GLY 199 CO 0.06 -0.07 0.02 -2.75 0.00 0.00 0.00 176.54 173.79 3hxc h PHE 200 N 0.06 0.01 0.00 5.60 3.04 -0.71 -1.34 116.94 123.60 3hxc h PHE 200 Ca 0.13 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 3hxc h PHE 200 Cb 0.18 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 3hxc h PHE 200 CO -0.22 -0.06 -0.37 -0.07 -2.02 0.00 0.00 178.31 175.58 3hxc h LEU 201 N 0.13 0.00 -0.19 0.59 3.38 -0.77 -1.67 115.31 116.77 3hxc h LEU 201 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hxc h LEU 201 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hxc h LEU 201 CO -0.30 0.37 -0.15 0.00 0.09 0.00 0.00 178.44 178.45 3hxc h ALA 202 N 1.63 0.28 -0.72 1.53 0.00 -0.42 0.25 119.26 121.82 3hxc h ALA 202 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3hxc h ALA 202 Cb 0.76 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3hxc h ALA 202 CO 0.05 0.16 0.27 0.82 0.00 0.00 0.00 179.25 180.56 3hxc h ILE 203 N 0.12 1.25 -0.38 0.00 2.04 -0.96 -2.80 117.51 116.78 3hxc h ILE 203 Ca 0.04 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3hxc h ILE 203 Cb 0.67 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3hxc h ILE 203 CO 0.04 0.32 0.00 0.35 0.00 0.00 0.00 178.15 178.86 3hxc n THR 204 N -4.28 0.50 -3.38 -0.27 -2.24 -0.65 -4.96 114.28 98.99 3hxc n THR 204 Ca 0.06 -0.59 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 3hxc n THR 204 Cb 0.19 0.47 0.07 0.00 -2.10 0.00 0.00 70.33 68.96 3hxc n THR 204 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hxc n SER 205 N 0.88 -4.85 -0.44 3.42 7.64 -0.87 -4.95 113.62 114.46 3hxc n SER 205 Ca 0.17 -0.48 0.07 0.00 1.01 0.00 0.00 58.87 59.64 3hxc n SER 205 Cb 0.43 -4.39 0.15 0.00 -1.01 0.00 0.00 64.21 59.39 3hxc n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hxc n GLN 206 N -4.19 1.20 0.28 1.43 1.13 0.82 -4.79 117.38 113.26 3hxc n GLN 206 Ca -0.05 -2.70 0.17 0.00 -1.94 0.00 0.00 57.00 52.47 3hxc n GLN 206 Cb 0.57 -1.35 0.79 0.00 0.11 0.00 0.00 30.24 30.37 3hxc n GLN 206 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hxc h LEU 207 N 0.49 0.00 -1.83 1.08 3.38 -1.91 -1.69 115.31 114.83 3hxc h LEU 207 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hxc h LEU 207 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hxc h LEU 207 CO 0.01 0.05 0.00 1.12 0.09 0.00 0.00 178.44 179.70 3hxc h HIS 208 N 0.00 0.00 -0.00 1.13 2.07 -1.93 -2.11 115.15 114.30 3hxc h HIS 208 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hxc h HIS 208 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3hxc h HIS 208 CO 0.00 0.00 -0.22 1.04 -3.07 0.00 0.00 177.93 175.68 3hxc n GLN 209 N -2.64 0.37 -3.05 5.12 6.02 -0.63 -4.83 117.38 117.75 3hxc n GLN 209 Ca -0.01 -0.16 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 3hxc n GLN 209 Cb 0.11 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 3hxc n GLN 209 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hxc s VAL 210 N -2.73 4.54 -0.94 5.09 1.01 -0.80 -5.01 120.40 121.56 3hxc s VAL 210 Ca 0.20 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.53 3hxc s VAL 210 Cb 0.19 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.56 3hxc s VAL 210 CO 0.56 0.49 1.31 0.21 0.00 0.00 0.00 175.10 177.67 3hxc s ASN 211 N -0.88 6.47 0.27 3.32 3.84 -1.26 -4.88 114.94 121.82 3hxc s ASN 211 Ca 0.35 -1.46 0.02 0.00 0.21 0.00 0.00 52.86 51.97 3hxc s ASN 211 Cb -0.22 -2.51 0.37 0.00 -0.55 0.00 0.00 41.25 38.34 3hxc s ASN 211 CO 0.24 -1.42 1.69 0.28 -2.79 0.00 0.00 177.10 175.10 3hxc h SER 212 N 9.55 0.50 -0.40 -4.21 0.02 -1.92 -0.71 113.55 116.38 3hxc h SER 212 Ca 0.10 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 3hxc h SER 212 Cb 1.02 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3hxc h SER 212 CO 1.31 0.77 -0.16 0.44 -1.14 0.00 0.00 176.83 178.05 3hxc h ASP 213 N 0.43 0.83 -0.00 3.07 3.45 -1.94 0.16 116.42 122.42 3hxc h ASP 213 Ca 0.06 -0.39 -0.00 0.00 0.43 0.00 0.00 57.03 57.13 3hxc h ASP 213 Cb 0.72 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3hxc h ASP 213 CO 0.06 1.04 -0.00 0.25 -1.57 0.00 0.00 179.24 179.01 3hxc h LEU 214 N 0.62 0.00 -0.69 1.55 5.85 -1.85 -2.29 115.31 118.50 3hxc h LEU 214 Ca 0.09 -0.53 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 3hxc h LEU 214 Cb 0.71 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3hxc h LEU 214 CO 0.05 0.53 -0.04 0.25 -0.34 0.00 0.00 178.44 178.90 3hxc h LEU 215 N -0.53 0.96 -0.94 2.25 5.85 -1.20 -2.23 115.31 119.47 3hxc h LEU 215 Ca 0.00 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.51 3hxc h LEU 215 Cb 0.53 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3hxc h LEU 215 CO 0.00 1.04 0.60 1.23 -0.34 0.00 0.00 178.44 180.96 3hxc h GLY 216 N 0.98 1.43 0.80 3.75 0.00 -0.72 -0.39 103.07 108.92 3hxc h GLY 216 Ca 0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3hxc h GLY 216 CO 0.03 0.29 0.00 -0.25 0.00 0.00 0.00 176.54 176.62 3hxc h TRP 217 N 1.07 0.33 -0.77 5.60 7.01 -1.03 -0.91 115.95 127.26 3hxc h TRP 217 Ca 0.41 -0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.43 3hxc h TRP 217 Cb 0.19 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.10 3hxc h TRP 217 CO -0.02 0.51 0.44 2.35 -2.79 0.00 0.00 178.44 178.93 3hxc h TRP 218 N 0.06 0.79 -0.18 2.65 7.01 -0.94 -0.93 115.95 124.42 3hxc h TRP 218 Ca 0.05 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 3hxc h TRP 218 Cb 0.38 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 3hxc h TRP 218 CO 0.03 0.35 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.93 3hxc h LEU 219 N 0.76 0.33 -1.52 0.65 3.38 -0.99 -3.09 115.31 114.84 3hxc h LEU 219 Ca 0.36 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hxc h LEU 219 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hxc h LEU 219 CO -0.22 0.60 -0.18 0.00 0.09 0.00 0.00 178.44 178.73 3hxc n GLU 221 N -3.52 0.14 0.17 0.00 -0.58 -0.37 -2.30 120.64 114.18 3hxc n GLU 221 Ca -0.01 0.15 0.13 0.00 -0.42 0.00 0.00 57.16 57.02 3hxc n GLU 221 Cb 0.34 -1.50 0.56 0.00 -0.57 0.00 0.00 31.44 30.27 3hxc n GLU 221 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hxc h ARG 222 N 0.00 0.00 -6.18 3.49 2.47 -1.28 -3.44 114.38 109.44 3hxc h ARG 222 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3hxc h ARG 222 Cb 0.23 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 3hxc h ARG 222 CO 0.00 0.00 0.60 -1.14 0.56 0.00 0.00 179.97 179.99 3hxc s GLN 223 N -3.43 4.37 0.39 0.04 0.74 -0.97 -1.43 119.66 119.36 3hxc s GLN 223 Ca 0.03 1.35 0.03 0.00 0.05 0.00 0.00 55.36 56.82 3hxc s GLN 223 Cb 0.09 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.62 3hxc s GLN 223 CO 0.42 -0.39 0.56 -0.51 -0.55 0.00 0.00 175.29 174.82 3hxc s LEU 224 N 2.31 3.83 0.50 3.68 1.43 0.05 -4.96 118.68 125.52 3hxc s LEU 224 Ca 0.46 0.07 0.26 0.00 -1.03 0.00 0.00 54.13 53.89 3hxc s LEU 224 Cb -0.17 -2.97 1.33 0.00 0.03 0.00 0.00 46.19 44.41 3hxc s LEU 224 CO 0.15 -0.54 1.90 -0.65 0.23 0.00 0.00 176.35 177.43 3hxc h PRO 225 N 0.66 0.13 0.00 1.29 0.11 -1.95 0.34 132.00 132.58 3hxc h PRO 225 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hxc h PRO 225 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hxc h PRO 225 CO 0.56 0.09 0.00 0.66 -0.21 0.00 0.00 178.00 179.09 3hxc h SER 226 N 0.14 0.00 0.00 -2.05 4.64 -1.95 -3.46 113.55 110.87 3hxc h SER 226 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3hxc h SER 226 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3hxc h SER 226 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 3hxc n GLY 227 N -0.96 3.31 3.80 -0.77 0.00 0.12 -4.58 105.19 106.11 3hxc n GLY 227 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3hxc n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxc s GLY 228 N -2.96 1.67 -0.08 -0.02 0.00 -1.26 -3.61 107.32 101.06 3hxc s GLY 228 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.85 3hxc s GLY 228 CO 0.00 0.45 -0.06 1.08 0.00 0.00 0.00 173.10 174.57 3hxc s LEU 229 N -5.66 3.23 0.51 0.66 1.43 -1.26 -0.77 118.68 116.81 3hxc s LEU 229 Ca 0.59 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.75 3hxc s LEU 229 Cb -0.15 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.40 3hxc s LEU 229 CO 0.55 0.34 0.70 0.54 0.23 0.00 0.00 176.35 178.71 3hxc s ASN 230 N -0.65 5.32 0.00 2.29 2.20 -0.52 -1.90 114.94 121.69 3hxc s ASN 230 Ca 0.10 -0.56 0.22 0.00 -0.94 0.00 0.00 52.86 51.68 3hxc s ASN 230 Cb -0.12 -0.25 -0.12 0.00 -2.00 0.00 0.00 41.25 38.77 3hxc s ASN 230 CO 0.02 -1.09 0.94 0.61 -2.94 0.00 0.00 177.10 174.64 3hxc n GLY 231 N -2.11 -1.05 3.67 0.45 0.00 -1.26 -4.83 105.19 100.06 3hxc n GLY 231 Ca 0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 3hxc n GLY 231 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hxc s ARG 232 N -3.07 0.86 0.34 1.61 1.70 -1.26 -0.94 118.95 118.19 3hxc s ARG 232 Ca 0.06 -0.45 -0.27 0.00 -0.47 0.00 0.00 55.73 54.60 3hxc s ARG 232 Cb 0.16 0.31 -0.13 0.00 -0.57 0.00 0.00 34.95 34.72 3hxc s ARG 232 CO 0.84 -0.39 1.12 -2.30 -1.08 0.00 0.00 175.30 173.49 3hxc n PRO 233 N -0.42 1.65 -1.08 3.89 -0.02 -1.26 -2.88 135.00 134.89 3hxc n PRO 233 Ca -0.07 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 3hxc n PRO 233 Cb 0.61 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 3hxc n PRO 233 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hxc n GLU 234 N 0.52 -0.48 -4.13 -0.52 -0.58 -1.26 -5.02 120.64 109.17 3hxc n GLU 234 Ca 0.08 0.41 -0.25 0.00 -0.42 0.00 0.00 57.16 56.98 3hxc n GLU 234 Cb 0.35 -3.99 -0.06 0.00 -0.57 0.00 0.00 31.44 27.17 3hxc n GLU 234 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3hxc s LYS 235 N -1.49 2.76 0.55 3.49 -0.14 -1.14 -4.87 119.74 118.90 3hxc s LYS 235 Ca 0.00 -1.00 -0.19 0.00 -1.36 0.00 0.00 55.97 53.42 3hxc s LYS 235 Cb 0.00 -2.53 -0.05 0.00 -1.68 0.00 0.00 37.83 33.56 3hxc s LYS 235 CO 0.00 0.45 1.13 -0.51 -0.76 0.00 0.00 175.35 175.67 3hxc s LEU 236 N -3.27 3.72 0.66 3.17 2.01 -1.26 -4.76 118.68 118.96 3hxc s LEU 236 Ca 0.31 2.18 -0.14 0.00 0.01 0.00 0.00 54.13 56.49 3hxc s LEU 236 Cb -0.09 -4.58 -0.00 0.00 0.01 0.00 0.00 46.19 41.53 3hxc s LEU 236 CO 0.22 -1.27 1.08 -2.16 1.01 0.00 0.00 176.35 175.24 3hxc s PRO 237 N -3.33 2.89 -0.15 1.29 0.04 -1.26 -4.56 135.00 129.91 3hxc s PRO 237 Ca 0.73 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 3hxc s PRO 237 Cb -0.24 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3hxc s PRO 237 CO 0.28 -1.16 0.46 0.34 0.04 0.00 0.00 177.00 176.96 3hxc s ASP 238 N -2.96 -0.46 0.45 6.66 -1.08 -0.80 -4.79 116.67 113.69 3hxc s ASP 238 Ca 0.64 0.84 0.12 0.00 -0.52 0.00 0.00 52.55 53.62 3hxc s ASP 238 Cb -0.18 0.86 1.00 0.00 -1.46 0.00 0.00 42.92 43.15 3hxc s ASP 238 CO 0.44 -0.21 2.03 1.62 0.52 0.00 0.00 175.17 179.57 3hxc h VAL 239 N 4.29 1.10 0.00 1.11 3.04 -1.05 -2.50 116.25 122.24 3hxc h VAL 239 Ca -0.27 -0.40 -0.07 0.00 -1.01 0.00 0.00 66.70 64.94 3hxc h VAL 239 Cb 1.18 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 3hxc h VAL 239 CO 0.24 0.13 -0.34 0.00 -1.01 0.00 0.00 177.57 176.59 3hxc h TYR 241 N 0.00 0.00 -0.63 0.00 -1.99 -1.72 0.02 116.97 112.65 3hxc h TYR 241 Ca -0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.85 3hxc h TYR 241 Cb 0.80 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.41 3hxc h TYR 241 CO 0.00 0.07 -0.17 0.66 -0.00 0.00 0.00 178.16 178.72 3hxc h SER 242 N 0.00 -0.63 0.41 3.88 4.64 -1.12 0.41 113.55 121.14 3hxc h SER 242 Ca -0.00 0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3hxc h SER 242 Cb 0.79 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hxc h SER 242 CO 0.01 -0.22 -0.20 -0.25 -0.87 0.00 0.00 176.83 175.30 3hxc h TRP 243 N -0.01 -0.51 -0.60 4.77 2.91 -1.07 -1.94 115.95 119.49 3hxc h TRP 243 Ca 0.30 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.39 3hxc h TRP 243 Cb 0.47 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.23 3hxc h TRP 243 CO -0.53 -0.19 0.26 -1.49 -1.03 0.00 0.00 178.44 175.46 3hxc h TRP 244 N -0.94 0.46 -0.00 2.65 -0.00 -0.97 0.16 115.95 117.30 3hxc h TRP 244 Ca -0.06 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 3hxc h TRP 244 Cb 0.56 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.60 3hxc h TRP 244 CO 0.02 0.16 -0.09 0.28 -0.00 0.00 0.00 178.44 178.81 3hxc h VAL 245 N 0.47 1.58 -0.68 1.49 2.07 -1.04 -3.00 116.25 117.15 3hxc h VAL 245 Ca 0.29 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 3hxc h VAL 245 Cb 0.31 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 3hxc h VAL 245 CO -0.26 0.49 0.28 0.25 0.02 0.00 0.00 177.57 178.35 3hxc h LEU 246 N -0.66 0.92 -0.50 2.57 5.85 -1.14 -0.22 115.31 122.13 3hxc h LEU 246 Ca -0.01 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 3hxc h LEU 246 Cb 0.84 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3hxc h LEU 246 CO 0.02 0.81 -0.04 0.00 -0.34 0.00 0.00 178.44 178.89 3hxc h ALA 247 N 1.32 0.68 -0.36 1.25 0.00 -0.81 0.46 119.26 121.80 3hxc h ALA 247 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hxc h ALA 247 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hxc h ALA 247 CO -0.02 0.52 0.20 0.77 0.00 0.00 0.00 179.25 180.72 3hxc h SER 248 N 0.77 0.44 -0.64 0.00 0.02 -1.25 -0.16 113.55 112.73 3hxc h SER 248 Ca 0.14 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3hxc h SER 248 Cb 0.57 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 3hxc h SER 248 CO 0.03 0.39 0.41 -0.07 -1.14 0.00 0.00 176.83 176.45 3hxc h LEU 249 N 0.46 0.68 -0.33 5.07 3.38 -0.82 -1.73 115.31 122.01 3hxc h LEU 249 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hxc h LEU 249 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3hxc h LEU 249 CO -0.02 0.48 0.18 0.50 0.09 0.00 0.00 178.44 179.66 3hxc h LYS 250 N 0.81 0.47 -0.96 1.13 1.63 -0.59 0.24 116.57 119.30 3hxc h LYS 250 Ca 0.25 -0.06 0.10 0.00 -0.85 0.00 0.00 60.65 60.09 3hxc h LYS 250 Cb -0.02 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.44 3hxc h LYS 250 CO -0.08 0.40 0.60 0.82 -3.45 0.00 0.00 179.45 177.74 3hxc h ILE 251 N 0.41 0.95 -0.50 2.00 2.04 -0.63 -1.74 117.51 120.03 3hxc h ILE 251 Ca 0.12 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3hxc h ILE 251 Cb 0.08 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 3hxc h ILE 251 CO -0.02 0.18 0.00 2.30 0.00 0.00 0.00 178.15 180.61 3hxc n ILE 252 N -4.62 0.69 -1.99 -0.67 -5.35 -0.68 -1.42 119.36 105.31 3hxc n ILE 252 Ca 0.17 -0.67 -0.08 0.00 -0.27 0.00 0.00 62.75 61.90 3hxc n ILE 252 Cb 0.30 0.33 -0.01 0.00 -1.74 0.00 0.00 39.64 38.52 3hxc n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hxc n GLY 253 N 1.29 0.21 0.47 3.28 0.00 -0.61 -4.56 105.19 105.27 3hxc n GLY 253 Ca 0.17 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.67 3hxc n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxc n ARG 254 N -1.92 0.95 -0.11 1.61 5.12 0.75 -4.70 116.66 118.37 3hxc n ARG 254 Ca -0.09 -2.39 0.08 0.00 -1.93 0.00 0.00 57.85 53.52 3hxc n ARG 254 Cb 0.52 -1.15 0.43 0.00 -1.16 0.00 0.00 32.46 31.09 3hxc n ARG 254 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hxc h LEU 255 N 0.38 0.50 0.00 0.55 5.85 -1.85 -1.01 115.31 119.73 3hxc h LEU 255 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hxc h LEU 255 Cb 1.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3hxc h LEU 255 CO 0.01 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.44 3hxc n HIS 256 N -4.48 0.00 1.07 1.25 1.44 -1.26 -2.96 115.22 110.28 3hxc n HIS 256 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.92 3hxc n HIS 256 Cb 0.26 -0.41 0.60 0.00 0.12 0.00 0.00 29.99 30.55 3hxc n HIS 256 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 3hxc n TRP 257 N -1.41 0.00 -4.15 -1.40 7.02 -0.38 -4.74 117.44 112.37 3hxc n TRP 257 Ca 0.03 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.28 3hxc n TRP 257 Cb 0.08 -0.37 -0.05 0.00 -2.42 0.00 0.00 31.31 28.55 3hxc n TRP 257 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 3hxc s ILE 258 N -2.74 4.25 -0.70 -0.99 -5.25 -1.16 -4.84 121.20 109.78 3hxc s ILE 258 Ca 0.19 -1.45 -0.27 0.00 -0.99 0.00 0.00 60.65 58.13 3hxc s ILE 258 Cb 0.17 -3.27 0.03 0.00 2.95 0.00 0.00 42.46 42.34 3hxc s ILE 258 CO 0.41 -0.32 1.24 -0.62 -1.79 0.00 0.00 174.94 173.87 3hxc s ASP 259 N -3.69 6.23 0.21 4.36 -1.08 -1.26 -4.89 116.67 116.55 3hxc s ASP 259 Ca 0.32 -0.34 -0.09 0.00 -0.52 0.00 0.00 52.55 51.92 3hxc s ASP 259 Cb -0.08 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 38.98 3hxc s ASP 259 CO 0.24 -1.73 1.82 0.03 0.52 0.00 0.00 175.17 176.04 3hxc h ARG 260 N 9.89 1.08 -0.40 4.34 -0.00 -1.92 -2.11 114.38 125.26 3hxc h ARG 260 Ca -0.27 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.98 58.97 3hxc h ARG 260 Cb 1.05 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 30.80 3hxc h ARG 260 CO 1.25 0.81 -0.14 0.93 0.00 0.00 0.00 179.97 182.83 3hxc h GLU 261 N 1.07 0.80 -0.67 0.04 4.39 -1.99 0.53 114.58 118.75 3hxc h GLU 261 Ca 0.27 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3hxc h GLU 261 Cb 0.06 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3hxc h GLU 261 CO -0.04 0.95 0.14 0.87 -1.16 0.00 0.00 179.01 179.76 3hxc h LYS 262 N 0.62 1.09 -0.36 2.33 1.57 -1.88 -1.64 116.57 118.29 3hxc h LYS 262 Ca 0.10 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 3hxc h LYS 262 Cb 0.68 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3hxc h LYS 262 CO 0.05 0.98 -0.22 1.25 -0.57 0.00 0.00 179.45 180.93 3hxc h LEU 263 N 1.03 0.82 -0.62 2.94 5.85 -1.22 -1.78 115.31 122.33 3hxc h LEU 263 Ca 0.21 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3hxc h LEU 263 Cb 0.40 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3hxc h LEU 263 CO 0.01 1.07 0.38 -0.09 -0.34 0.00 0.00 178.44 179.47 3hxc h ARG 264 N 0.58 0.73 -0.40 1.25 2.43 -0.72 -0.35 114.38 117.89 3hxc h ARG 264 Ca 0.07 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3hxc h ARG 264 Cb 0.78 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3hxc h ARG 264 CO 0.06 0.48 0.06 0.77 -1.51 0.00 0.00 179.97 179.83 3hxc h SER 265 N 0.75 0.57 -0.17 -3.80 0.02 -1.17 -1.01 113.55 108.74 3hxc h SER 265 Ca 0.25 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3hxc h SER 265 Cb 0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3hxc h SER 265 CO -0.11 0.60 -0.02 0.15 -1.14 0.00 0.00 176.83 176.31 3hxc h PHE 266 N 0.59 0.35 -0.27 3.45 3.57 -0.62 -2.27 116.94 121.74 3hxc h PHE 266 Ca 0.13 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3hxc h PHE 266 Cb 0.29 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3hxc h PHE 266 CO 0.01 0.55 0.16 0.82 -2.23 0.00 0.00 178.31 177.63 3hxc h ILE 267 N 0.04 1.10 -0.09 1.41 2.04 -0.84 -2.34 117.51 118.82 3hxc h ILE 267 Ca 0.05 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 3hxc h ILE 267 Cb 0.43 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3hxc h ILE 267 CO 0.01 0.10 -0.05 -0.07 0.00 0.00 0.00 178.15 178.14 3hxc h LEU 268 N 0.33 0.12 -0.77 1.44 3.38 -1.23 -1.36 115.31 117.23 3hxc h LEU 268 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hxc h LEU 268 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hxc h LEU 268 CO -0.02 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3hxc h ALA 269 N 1.82 1.00 -0.00 1.53 0.00 -0.86 -2.87 119.26 119.87 3hxc h ALA 269 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hxc h ALA 269 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hxc h ALA 269 CO 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 3hxc s GLN 271 N -2.62 3.58 -0.38 0.00 -0.21 -1.08 -0.93 119.66 118.01 3hxc s GLN 271 Ca 0.24 1.68 -0.15 0.00 0.02 0.00 0.00 55.36 57.14 3hxc s GLN 271 Cb 0.19 -2.21 0.01 0.00 1.00 0.00 0.00 33.01 32.00 3hxc s GLN 271 CO 0.52 -0.68 0.33 0.34 -2.12 0.00 0.00 175.29 173.69 3hxc s ASP 272 N -1.58 6.13 0.50 5.90 3.68 -0.59 -4.78 116.67 125.94 3hxc s ASP 272 Ca 0.68 -0.61 0.24 0.00 2.13 0.00 0.00 52.55 54.98 3hxc s ASP 272 Cb -0.26 -2.18 1.32 0.00 -1.45 0.00 0.00 42.92 40.36 3hxc s ASP 272 CO 0.30 -0.41 2.05 -0.33 0.13 0.00 0.00 175.17 176.91 3hxc h GLU 273 N 8.59 0.00 0.00 4.34 5.08 -1.90 0.67 114.58 131.36 3hxc h GLU 273 Ca -0.28 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 3hxc h GLU 273 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3hxc h GLU 273 CO 0.72 0.14 -0.55 0.93 -1.00 0.00 0.00 179.01 179.25 3hxc h GLU 274 N 0.00 0.00 0.00 2.33 5.08 -1.99 -3.41 114.58 116.60 3hxc h GLU 274 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3hxc h GLU 274 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3hxc h GLU 274 CO 0.02 0.44 -1.04 1.79 -1.00 0.00 0.00 179.01 179.23 3hxc h THR 275 N -1.00 0.17 -0.14 1.13 1.35 -1.97 -3.51 112.91 108.94 3hxc h THR 275 Ca -0.10 -1.32 0.02 0.00 -0.55 0.00 0.00 66.41 64.45 3hxc h THR 275 Cb 0.71 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3hxc h THR 275 CO -0.06 0.10 -0.03 0.61 -0.25 0.00 0.00 175.52 175.89 3hxc n GLY 276 N 1.24 -1.50 0.00 5.82 0.00 0.23 -4.53 105.19 106.44 3hxc n GLY 276 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3hxc n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxc n GLY 277 N -1.58 -1.33 3.67 -0.02 0.00 -1.26 -4.46 105.19 100.21 3hxc n GLY 277 Ca -0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 3hxc n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxc s PHE 278 N -2.97 2.96 0.43 1.61 0.40 -1.26 -1.54 117.98 117.61 3hxc s PHE 278 Ca 0.00 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 3hxc s PHE 278 Cb 0.00 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 3hxc s PHE 278 CO 0.00 0.47 0.45 0.00 0.70 0.00 0.00 175.22 176.84 3hxc s ALA 279 N -1.28 4.24 0.29 5.36 0.00 -0.11 -2.10 121.76 128.17 3hxc s ALA 279 Ca 0.25 -1.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 3hxc s ALA 279 Cb -0.12 -1.21 0.43 0.00 0.00 0.00 0.00 23.12 22.22 3hxc s ALA 279 CO 0.17 -0.27 1.85 0.38 0.00 0.00 0.00 175.76 177.90 3hxc h ASP 280 N 0.87 0.77 -5.17 0.00 -0.00 -1.88 -3.42 116.42 107.59 3hxc h ASP 280 Ca -0.40 -0.12 -0.10 0.00 -0.00 0.00 0.00 57.03 56.41 3hxc h ASP 280 Cb 1.27 -0.20 -0.15 0.00 -0.00 0.00 0.00 39.33 40.26 3hxc h ASP 280 CO 0.53 0.72 -0.47 0.00 -0.00 0.00 0.00 179.24 180.02 3hxc s ARG 281 N -5.29 0.75 0.22 4.15 1.70 -1.26 -0.52 118.95 118.69 3hxc s ARG 281 Ca -0.10 -1.01 -0.32 0.00 -0.47 0.00 0.00 55.73 53.83 3hxc s ARG 281 Cb 0.16 0.29 -0.14 0.00 -0.57 0.00 0.00 34.95 34.69 3hxc s ARG 281 CO 0.80 -0.21 1.31 -2.30 -1.08 0.00 0.00 175.30 173.82 3hxc n PRO 282 N 0.07 1.71 0.00 3.89 -0.02 -1.26 -1.66 135.00 137.73 3hxc n PRO 282 Ca -0.15 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3hxc n PRO 282 Cb 0.62 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3hxc n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxc n GLY 283 N 2.09 2.54 3.92 -1.23 0.00 -1.26 -5.03 105.19 106.22 3hxc n GLY 283 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hxc n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hxc s ASP 284 N -1.90 4.07 0.11 1.61 -0.00 -0.66 -5.01 116.67 114.89 3hxc s ASP 284 Ca 0.00 0.52 -0.31 0.00 -0.00 0.00 0.00 52.55 52.77 3hxc s ASP 284 Cb 0.00 -0.88 -0.07 0.00 -0.00 0.00 0.00 42.92 41.97 3hxc s ASP 284 CO 0.00 -2.15 1.29 -0.32 -0.00 0.00 0.00 175.17 174.00 3hxc s MET 285 N -5.63 4.38 0.77 8.23 -2.45 -1.26 -4.64 119.30 118.71 3hxc s MET 285 Ca 0.66 1.95 -0.11 0.00 -1.25 0.00 0.00 55.69 56.93 3hxc s MET 285 Cb -0.08 -3.28 0.05 0.00 1.25 0.00 0.00 34.83 32.77 3hxc s MET 285 CO 0.50 -0.32 1.09 0.14 1.05 0.00 0.00 175.02 177.48 3hxc s VAL 286 N 0.85 3.30 0.15 10.11 -7.23 -1.26 -4.49 120.40 121.83 3hxc s VAL 286 Ca 0.60 0.42 -0.24 0.00 -1.81 0.00 0.00 61.98 60.96 3hxc s VAL 286 Cb -0.34 -3.20 0.07 0.00 0.56 0.00 0.00 36.38 33.47 3hxc s VAL 286 CO 0.31 -0.55 0.61 1.51 -0.31 0.00 0.00 175.10 176.67 3hxc s ASP 287 N -3.95 -0.58 0.44 4.85 1.47 -0.89 -4.93 116.67 113.09 3hxc s ASP 287 Ca 0.60 0.05 0.11 0.00 1.18 0.00 0.00 52.55 54.49 3hxc s ASP 287 Cb -0.14 0.60 0.99 0.00 -0.34 0.00 0.00 42.92 44.03 3hxc s ASP 287 CO 0.54 -0.95 2.05 -0.65 0.68 0.00 0.00 175.17 176.84 3hxc h PRO 288 N 2.06 0.24 0.08 2.11 0.11 -1.98 -1.72 132.00 132.90 3hxc h PRO 288 Ca -0.34 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3hxc h PRO 288 Cb 1.30 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3hxc h PRO 288 CO 0.38 0.23 -0.12 0.35 -0.21 0.00 0.00 178.00 178.62 3hxc h PHE 289 N 0.24 -0.32 0.00 0.65 3.04 -1.94 -0.82 116.94 117.80 3hxc h PHE 289 Ca 0.06 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 3hxc h PHE 289 Cb 0.10 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 3hxc h PHE 289 CO 0.00 -0.19 -0.08 0.45 -2.02 0.00 0.00 178.31 176.48 3hxc h HIS 290 N -0.25 0.00 -0.01 0.41 3.86 -1.74 -2.35 115.15 115.07 3hxc h HIS 290 Ca 0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hxc h HIS 290 Cb 0.26 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 3hxc h HIS 290 CO -0.15 0.08 -0.00 1.15 0.86 0.00 0.00 177.93 179.87 3hxc h THR 291 N 0.00 1.30 0.00 2.45 2.02 -1.02 0.40 112.91 118.06 3hxc h THR 291 Ca -0.00 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.32 3hxc h THR 291 Cb 0.83 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.09 3hxc h THR 291 CO 0.01 0.23 -0.18 0.25 0.37 0.00 0.00 175.52 176.20 3hxc h LEU 292 N -0.35 -0.54 -0.85 2.58 5.85 -1.03 -1.59 115.31 119.38 3hxc h LEU 292 Ca 0.00 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3hxc h LEU 292 Cb 0.38 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3hxc h LEU 292 CO 0.00 -0.25 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.08 3hxc h PHE 293 N -0.30 0.18 -0.16 1.25 0.04 -1.40 0.20 116.94 116.76 3hxc h PHE 293 Ca 0.06 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3hxc h PHE 293 Cb 0.37 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3hxc h PHE 293 CO -0.23 0.64 0.08 0.78 -0.60 0.00 0.00 178.31 178.98 3hxc h GLY 294 N 1.44 0.24 1.06 -1.45 0.00 -0.85 -0.24 103.07 103.27 3hxc h GLY 294 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 3hxc h GLY 294 CO 0.08 0.11 -0.16 -2.22 0.00 0.00 0.00 176.54 174.34 3hxc h ILE 295 N 0.14 1.27 -0.55 2.60 1.08 -0.97 -2.25 117.51 118.83 3hxc h ILE 295 Ca 0.06 -1.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.19 3hxc h ILE 295 Cb 0.09 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 3hxc h ILE 295 CO -0.01 0.45 0.22 0.00 -0.69 0.00 0.00 178.15 178.12 3hxc h ALA 296 N 0.87 0.72 -0.47 1.87 0.00 -0.58 -1.81 119.26 119.86 3hxc h ALA 296 Ca 0.11 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hxc h ALA 296 Cb 0.72 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3hxc h ALA 296 CO 0.06 0.33 0.20 0.78 0.00 0.00 0.00 179.25 180.62 3hxc h GLY 297 N 0.76 0.63 1.13 0.00 0.00 -0.91 -1.99 103.07 102.69 3hxc h GLY 297 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3hxc h GLY 297 CO -0.01 0.06 0.53 1.41 0.00 0.00 0.00 176.54 178.53 3hxc h LEU 298 N 0.40 1.02 -0.16 3.11 3.38 -1.11 -1.95 115.31 119.99 3hxc h LEU 298 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hxc h LEU 298 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hxc h LEU 298 CO -0.18 0.77 0.07 -1.28 0.09 0.00 0.00 178.44 177.90 3hxc h SER 299 N 1.18 0.22 -0.65 -0.43 0.87 -0.93 -1.79 113.55 112.03 3hxc h SER 299 Ca 0.31 -0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 3hxc h SER 299 Cb -0.07 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 61.79 3hxc h SER 299 CO -0.06 0.32 0.43 -0.07 -0.53 0.00 0.00 176.83 176.92 3hxc h LEU 300 N 0.12 0.57 0.00 2.23 3.38 -1.05 0.15 115.31 120.70 3hxc h LEU 300 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hxc h LEU 300 Cb 0.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hxc h LEU 300 CO -0.01 0.37 0.00 0.18 0.09 0.00 0.00 178.44 179.07 3hxc n LEU 301 N -4.48 0.00 -0.08 1.67 4.77 -0.76 -4.89 117.00 113.23 3hxc n LEU 301 Ca 0.09 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3hxc n LEU 301 Cb 0.23 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3hxc n LEU 301 CO 0.34 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3hxc n GLY 302 N 0.61 1.22 3.64 -0.72 0.00 0.52 -5.05 105.19 105.41 3hxc n GLY 302 Ca 0.15 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3hxc n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxc s GLU 303 N -1.68 4.01 0.39 1.61 2.56 -0.71 -4.94 118.70 119.94 3hxc s GLU 303 Ca 0.00 1.35 0.06 0.00 0.00 0.00 0.00 54.97 56.38 3hxc s GLU 303 Cb 0.00 -3.84 0.78 0.00 2.00 0.00 0.00 34.13 33.07 3hxc s GLU 303 CO 0.00 -0.99 2.01 1.05 -0.56 0.00 0.00 175.26 176.76 3hxc h GLU 304 N 8.93 0.55 0.00 4.30 4.11 -1.94 -2.44 114.58 128.09 3hxc h GLU 304 Ca -0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3hxc h GLU 304 Cb 1.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3hxc h GLU 304 CO 1.02 0.42 0.00 1.04 0.07 0.00 0.00 179.01 181.56 3hxc n GLN 305 N -4.42 0.03 -4.86 1.06 6.02 -1.26 -4.75 117.38 109.20 3hxc n GLN 305 Ca 0.03 0.17 -0.33 0.00 -0.01 0.00 0.00 57.00 56.86 3hxc n GLN 305 Cb 0.11 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.74 3hxc n GLN 305 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hxc s ILE 306 N -2.96 3.14 0.55 5.09 1.01 -0.92 -4.84 121.20 122.28 3hxc s ILE 306 Ca 0.10 -0.69 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 3hxc s ILE 306 Cb 0.13 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 3hxc s ILE 306 CO 0.34 0.59 1.31 -0.54 0.00 0.00 0.00 174.94 176.64 3hxc s LYS 307 N -0.74 3.15 0.27 2.79 1.02 -0.35 -4.83 119.74 121.05 3hxc s LYS 307 Ca 0.12 2.11 -0.30 0.00 0.02 0.00 0.00 55.97 57.91 3hxc s LYS 307 Cb -0.11 -2.20 -0.13 0.00 -0.52 0.00 0.00 37.83 34.87 3hxc s LYS 307 CO 0.01 -1.14 1.39 -2.30 -0.92 0.00 0.00 175.35 172.38 3hxc n PRO 308 N -1.10 2.12 -4.78 -1.68 -0.02 -1.26 -4.86 135.00 123.42 3hxc n PRO 308 Ca 0.11 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 62.01 3hxc n PRO 308 Cb 0.46 -2.39 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 3hxc n PRO 308 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hxc s VAL 309 N -0.35 3.15 -0.04 -1.45 0.11 -1.26 -1.48 120.40 119.08 3hxc s VAL 309 Ca 0.64 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 3hxc s VAL 309 Cb -0.61 -2.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 3hxc s VAL 309 CO 0.53 0.53 1.22 -0.55 -3.33 0.00 0.00 175.10 173.50 3hxc s SER 310 N -0.94 7.03 0.52 3.54 0.15 0.65 -4.72 113.70 119.93 3hxc s SER 310 Ca 0.13 1.87 0.31 0.00 0.70 0.00 0.00 55.95 58.95 3hxc s SER 310 Cb -0.11 -2.56 1.29 0.00 -1.71 0.00 0.00 66.02 62.93 3hxc s SER 310 CO 0.02 -0.59 1.96 1.55 1.20 0.00 0.00 173.24 177.39 3hxc h PRO 311 N 7.43 0.00 0.00 5.44 0.13 -1.91 -0.23 132.00 142.86 3hxc h PRO 311 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 3hxc h PRO 311 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hxc h PRO 311 CO 0.88 0.08 -0.05 0.28 -0.23 0.00 0.00 178.00 178.95 3hxc h VAL 312 N 0.00 1.59 0.00 1.56 2.07 -1.91 -3.41 116.25 116.15 3hxc h VAL 312 Ca -0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3hxc h VAL 312 Cb 0.54 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3hxc h VAL 312 CO 0.01 0.54 -1.04 0.49 0.02 0.00 0.00 177.57 177.59 3hxc n PHE 313 N -4.62 0.00 -3.81 1.57 3.01 -1.23 -4.94 117.46 107.43 3hxc n PHE 313 Ca -0.10 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.03 3hxc n PHE 313 Cb 0.44 -0.03 0.02 0.00 -0.01 0.00 0.00 39.48 39.91 3hxc n PHE 313 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hxc s MET 315 N -6.36 0.65 0.25 0.00 -1.94 -1.26 -4.94 119.30 105.71 3hxc s MET 315 Ca 0.37 -0.99 -0.31 0.00 -1.71 0.00 0.00 55.69 53.05 3hxc s MET 315 Cb -0.15 0.24 -0.13 0.00 2.01 0.00 0.00 34.83 36.81 3hxc s MET 315 CO 0.89 -0.16 1.48 -2.30 -0.01 0.00 0.00 175.02 174.92 3hxc n PRO 316 N 0.33 2.26 -0.25 2.03 -0.02 -1.26 -0.26 135.00 137.83 3hxc n PRO 316 Ca -0.16 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 3hxc n PRO 316 Cb 0.60 -2.51 0.43 0.00 -0.02 0.00 0.00 33.50 32.00 3hxc n PRO 316 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hxc h GLU 317 N 4.49 0.57 0.00 -0.52 4.39 -1.55 -1.83 114.58 120.13 3hxc h GLU 317 Ca -0.46 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 3hxc h GLU 317 Cb 1.26 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hxc h GLU 317 CO 0.78 0.38 -0.12 1.05 -1.16 0.00 0.00 179.01 179.93 3hxc h GLU 318 N 0.59 0.00 -0.20 2.33 4.11 -1.90 0.18 114.58 119.69 3hxc h GLU 318 Ca 0.44 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.79 3hxc h GLU 318 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hxc h GLU 318 CO -0.19 0.12 -0.19 0.28 0.07 0.00 0.00 179.01 179.10 3hxc h VAL 319 N 0.00 1.33 -0.21 -1.06 2.07 -1.70 -2.79 116.25 113.88 3hxc h VAL 319 Ca -0.00 -1.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.06 3hxc h VAL 319 Cb 0.24 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3hxc h VAL 319 CO 0.02 0.41 -0.37 -0.07 0.02 0.00 0.00 177.57 177.57 3hxc h LEU 320 N 0.15 0.49 -0.72 2.57 3.38 -1.10 -2.39 115.31 117.68 3hxc h LEU 320 Ca 0.03 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hxc h LEU 320 Cb 0.73 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 3hxc h LEU 320 CO 0.05 0.82 0.45 1.56 0.09 0.00 0.00 178.44 181.41 3hxc h GLN 321 N 0.39 0.87 -0.47 1.13 4.20 -0.77 0.12 115.11 120.57 3hxc h GLN 321 Ca 0.04 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.74 3hxc h GLN 321 Cb 0.84 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 3hxc h GLN 321 CO 0.07 0.57 0.24 -0.09 -0.67 0.00 0.00 178.83 178.95 3hxc h ARG 322 N 0.89 0.45 -0.01 1.46 1.12 -1.15 -1.56 114.38 115.58 3hxc h ARG 322 Ca 0.28 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.13 3hxc h ARG 322 Cb 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.86 3hxc h ARG 322 CO -0.10 0.30 -0.01 1.33 -3.11 0.00 0.00 179.97 178.38 3hxc n VAL 323 N -4.90 0.00 -3.55 0.20 0.24 -1.02 -4.96 118.33 104.34 3hxc n VAL 323 Ca 0.04 -0.21 -0.20 0.00 -2.04 0.00 0.00 64.34 61.93 3hxc n VAL 323 Cb 0.12 0.34 0.07 0.00 -1.47 0.00 0.00 33.84 32.90 3hxc n VAL 323 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3hxc n ASN 324 N -0.04 -2.78 -3.79 -1.34 4.05 0.30 -4.98 115.26 106.68 3hxc n ASN 324 Ca 0.20 -0.66 -0.29 0.00 0.45 0.00 0.00 54.58 54.27 3hxc n ASN 324 Cb 0.32 -4.80 -0.13 0.00 1.23 0.00 0.00 39.78 36.39 3hxc n ASN 324 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3hxc s VAL 325 N -3.42 1.92 -0.43 3.44 0.11 -0.59 -5.03 120.40 116.41 3hxc s VAL 325 Ca 0.14 -3.05 0.02 0.00 -2.93 0.00 0.00 61.98 56.17 3hxc s VAL 325 Cb -0.07 -2.33 0.14 0.00 -1.53 0.00 0.00 36.38 32.60 3hxc s VAL 325 CO 0.75 -0.90 0.27 -1.10 -3.33 0.00 0.00 175.10 170.79 3hxc s GLN 326 N -0.13 1.12 0.20 1.54 -0.21 -1.26 -4.73 119.66 116.18 3hxc s GLN 326 Ca 0.19 -1.94 -0.33 0.00 0.02 0.00 0.00 55.36 53.31 3hxc s GLN 326 Cb -0.20 -2.00 -0.14 0.00 1.00 0.00 0.00 33.01 31.67 3hxc s GLN 326 CO -0.03 -1.22 1.39 -2.30 -2.12 0.00 0.00 175.29 171.01 3hxc n PRO 327 N 3.45 1.81 -2.11 2.91 -0.02 -1.26 -4.94 135.00 134.84 3hxc n PRO 327 Ca 0.14 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 3hxc n PRO 327 Cb 0.37 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 3hxc n PRO 327 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hxc s GLU 328 N -0.04 4.32 0.57 -0.52 2.02 -1.26 -5.04 118.70 118.76 3hxc s GLU 328 Ca 0.73 2.18 0.08 0.00 0.02 0.00 0.00 54.97 57.98 3hxc s GLU 328 Cb -0.72 -3.16 0.07 0.00 0.10 0.00 0.00 34.13 30.43 3hxc s GLU 328 CO 0.47 -0.36 0.66 -0.51 0.02 0.00 0.00 175.26 175.55 3hxc s LEU 329 N -0.10 2.92 -0.01 1.80 1.43 -1.26 -4.90 118.68 118.56 3hxc s LEU 329 Ca 0.59 -1.02 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 3hxc s LEU 329 Cb -0.39 -1.42 -0.19 0.00 0.03 0.00 0.00 46.19 44.22 3hxc s LEU 329 CO 0.40 -1.29 1.25 0.58 0.23 0.00 0.00 176.35 177.52 3hxc h VAL 330 N 0.36 1.15 0.00 -1.59 2.07 -1.51 -3.49 116.25 113.24 3hxc h VAL 330 Ca -0.32 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3hxc h VAL 330 Cb 1.29 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3hxc h VAL 330 CO 0.46 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.74