#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxe n LYS 6 N 0.00 2.23 -3.94 3.69 5.02 -1.26 -4.92 118.16 118.98 3hxe n LYS 6 Ca 0.00 0.71 -0.09 0.00 -2.02 0.00 0.00 58.31 56.91 3hxe n LYS 6 Cb 0.00 -3.09 -0.05 0.00 -0.02 0.00 0.00 35.03 31.87 3hxe n LYS 6 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hxe s ASP 7 N 6.76 -0.12 0.28 4.39 2.15 -1.26 -4.65 116.67 124.22 3hxe s ASP 7 Ca 0.97 -0.83 -0.00 0.00 0.43 0.00 0.00 52.55 53.12 3hxe s ASP 7 Cb -0.42 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 42.74 3hxe s ASP 7 CO 0.39 -1.11 0.48 0.68 -0.17 0.00 0.00 175.17 175.44 3hxe s VAL 8 N -3.98 5.14 -0.17 1.11 -7.23 -1.26 -5.00 120.40 109.01 3hxe s VAL 8 Ca 0.19 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.91 3hxe s VAL 8 Cb -0.01 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.11 3hxe s VAL 8 CO 0.06 -0.38 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.54 3hxe s THR 9 N -2.10 3.64 -0.09 5.32 2.01 -1.26 -4.53 115.64 118.62 3hxe s THR 9 Ca 0.39 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.71 3hxe s THR 9 Cb -0.10 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 3hxe s THR 9 CO 0.32 0.47 0.78 -0.63 -0.69 0.00 0.00 174.62 174.88 3hxe s ILE 10 N 0.69 4.96 0.38 1.82 1.01 -1.26 -5.04 121.20 123.77 3hxe s ILE 10 Ca -0.03 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 61.98 3hxe s ILE 10 Cb -0.15 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 3hxe s ILE 10 CO 0.02 0.16 0.96 -1.59 0.00 0.00 0.00 174.94 174.49 3hxe s LYS 11 N 1.31 4.38 0.00 2.79 -2.85 -1.26 -4.96 119.74 119.15 3hxe s LYS 11 Ca 0.40 1.26 0.25 0.00 -1.00 0.00 0.00 55.97 56.87 3hxe s LYS 11 Cb -0.18 -2.49 1.30 0.00 -2.06 0.00 0.00 37.83 34.40 3hxe s LYS 11 CO 0.18 0.09 1.84 -1.13 0.10 0.00 0.00 175.35 176.42 3hxe n SER 12 N -0.05 0.00 -1.41 0.03 3.41 -1.26 -1.38 113.62 112.96 3hxe n SER 12 Ca 0.05 -0.22 0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3hxe n SER 12 Cb 0.52 -0.23 0.33 0.00 -0.26 0.00 0.00 64.21 64.57 3hxe n SER 12 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hxe n ASP 13 N -1.23 4.56 -4.76 4.04 5.75 -1.26 -4.98 116.55 118.67 3hxe n ASP 13 Ca 0.13 -2.56 -0.39 0.00 -0.01 0.00 0.00 54.79 51.96 3hxe n ASP 13 Cb 0.17 -0.55 0.03 0.00 -1.03 0.00 0.00 41.12 39.74 3hxe n ASP 13 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hxe s ALA 14 N -2.04 3.00 0.34 2.12 0.00 -0.48 -4.92 121.76 119.77 3hxe s ALA 14 Ca 0.47 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.48 3hxe s ALA 14 Cb 0.32 -3.55 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 3hxe s ALA 14 CO 0.20 -1.21 1.24 -2.30 0.00 0.00 0.00 175.76 173.69 3hxe n PRO 15 N -0.62 1.98 -0.28 0.00 -0.02 -1.26 -4.90 135.00 129.91 3hxe n PRO 15 Ca 0.08 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.28 3hxe n PRO 15 Cb 0.44 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3hxe n PRO 15 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hxe n ASP 16 N 0.82 0.80 -4.22 2.55 5.68 -1.26 -3.02 116.55 117.91 3hxe n ASP 16 Ca 0.06 -2.17 -0.16 0.00 -0.50 0.00 0.00 54.79 52.01 3hxe n ASP 16 Cb 0.36 -0.22 -0.11 0.00 -1.14 0.00 0.00 41.12 40.00 3hxe n ASP 16 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3hxe s THR 17 N -0.88 1.18 -0.12 2.12 -1.32 -1.26 -5.08 115.64 110.28 3hxe s THR 17 Ca 0.09 -1.72 -0.23 0.00 -1.21 0.00 0.00 61.69 58.62 3hxe s THR 17 Cb 0.08 -1.49 -0.03 0.00 -1.51 0.00 0.00 72.50 69.55 3hxe s THR 17 CO 0.01 -0.49 0.70 -0.22 -2.21 0.00 0.00 174.62 172.41 3hxe s LEU 18 N -2.51 4.25 -0.85 9.08 2.96 -1.26 -4.99 118.68 125.36 3hxe s LEU 18 Ca 0.08 1.09 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3hxe s LEU 18 Cb -0.04 -3.06 0.32 0.00 0.50 0.00 0.00 46.19 43.92 3hxe s LEU 18 CO 0.02 -0.21 1.44 0.18 -1.32 0.00 0.00 176.35 176.46 3hxe n LEU 19 N 4.37 6.09 -0.16 -0.68 4.77 -1.26 -4.87 117.00 125.26 3hxe n LEU 19 Ca -0.00 -5.50 -0.08 0.00 -0.03 0.00 0.00 56.01 50.40 3hxe n LEU 19 Cb 0.50 -0.92 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 3hxe n LEU 19 CO 0.46 2.15 1.03 0.25 -1.33 0.00 0.00 177.39 179.96 3hxe h LEU 20 N 3.80 0.57 -0.71 2.23 5.85 -1.99 -1.95 115.31 123.11 3hxe h LEU 20 Ca 0.35 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.10 3hxe h LEU 20 Cb 0.42 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3hxe h LEU 20 CO 1.04 0.46 0.36 -0.33 -0.34 0.00 0.00 178.44 179.63 3hxe h GLU 21 N 0.62 0.60 -0.44 1.25 3.07 -2.00 -0.31 114.58 117.37 3hxe h GLU 21 Ca 0.17 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.94 3hxe h GLU 21 Cb 0.01 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3hxe h GLU 21 CO -0.03 0.40 0.05 0.87 -1.40 0.00 0.00 179.01 178.90 3hxe h LYS 22 N 0.62 0.69 -0.21 2.33 1.57 -1.78 -2.48 116.57 117.31 3hxe h LYS 22 Ca 0.34 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 3hxe h LYS 22 Cb 0.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hxe h LYS 22 CO -0.25 0.67 -0.48 0.45 -0.57 0.00 0.00 179.45 179.27 3hxe h HIS 23 N 0.66 0.90 -0.64 -1.35 3.86 -0.59 -0.35 115.15 117.64 3hxe h HIS 23 Ca 0.14 -0.34 -0.07 0.00 -1.16 0.00 0.00 60.37 58.95 3hxe h HIS 23 Cb 0.34 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 3hxe h HIS 23 CO 0.02 1.12 0.12 0.00 0.86 0.00 0.00 177.93 180.05 3hxe h ALA 24 N 0.61 1.01 -0.64 2.45 0.00 -1.09 -0.75 119.26 120.85 3hxe h ALA 24 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hxe h ALA 24 Cb 1.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hxe h ALA 24 CO 0.11 0.63 0.36 -0.44 0.00 0.00 0.00 179.25 179.91 3hxe h ASP 25 N 0.97 0.78 -0.16 0.00 3.45 -1.32 0.25 116.42 120.39 3hxe h ASP 25 Ca 0.20 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 3hxe h ASP 25 Cb 0.39 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 3hxe h ASP 25 CO 0.01 0.64 0.07 0.22 -1.57 0.00 0.00 179.24 178.61 3hxe h TYR 26 N 0.86 0.24 -0.20 4.55 3.20 -0.53 -2.41 116.97 122.68 3hxe h TYR 26 Ca 0.23 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 3hxe h TYR 26 Cb 0.02 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hxe h TYR 26 CO -0.01 0.28 -0.33 0.82 -1.64 0.00 0.00 178.16 177.28 3hxe h ILE 27 N 0.12 1.33 -0.60 1.81 1.08 -1.02 -2.57 117.51 117.67 3hxe h ILE 27 Ca 0.05 -1.55 0.14 0.00 -0.39 0.00 0.00 64.86 63.12 3hxe h ILE 27 Cb 0.14 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.68 3hxe h ILE 27 CO -0.01 0.48 0.41 0.00 -0.69 0.00 0.00 178.15 178.35 3hxe h ALA 28 N 0.61 2.31 -0.02 1.87 0.00 -0.40 -1.82 119.26 121.81 3hxe h ALA 28 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hxe h ALA 28 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hxe h ALA 28 CO 0.08 -0.47 -0.08 0.43 0.00 0.00 0.00 179.25 179.20 3hxe n SER 29 N -4.42 1.99 -0.16 0.00 7.64 -0.92 -4.68 113.62 113.07 3hxe n SER 29 Ca 0.11 -1.59 -0.08 0.00 1.01 0.00 0.00 58.87 58.31 3hxe n SER 29 Cb 0.54 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 3hxe n SER 29 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3hxe h TYR 30 N 3.00 0.70 0.00 1.43 3.20 -0.90 -2.06 116.97 122.34 3hxe h TYR 30 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hxe h TYR 30 Cb 0.69 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3hxe h TYR 30 CO 0.00 0.59 0.10 0.78 -1.64 0.00 0.00 178.16 177.99 3hxe h GLY 31 N 0.60 0.00 -7.55 1.82 0.00 -1.83 -3.51 103.07 92.60 3hxe h GLY 31 Ca 0.15 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.72 3hxe h GLY 31 CO -0.01 0.00 0.18 -1.35 0.00 0.00 0.00 176.54 175.36 3hxe s SER 32 N -4.53 6.72 0.00 0.19 1.04 -0.78 -5.16 113.70 111.19 3hxe s SER 32 Ca -0.04 -3.41 0.00 0.00 0.48 0.00 0.00 55.95 52.98 3hxe s SER 32 Cb 0.09 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.11 3hxe s SER 32 CO 0.30 -0.32 0.00 -0.67 0.98 0.00 0.00 173.24 173.53 3hxe n ASP 36 N 2.89 0.00 0.03 7.02 2.03 -1.26 -5.19 116.55 122.07 3hxe n ASP 36 Ca 0.20 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.47 3hxe n ASP 36 Cb 0.40 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.77 3hxe n ASP 36 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3hxe h TYR 37 N 0.00 -0.18 0.00 -0.67 3.20 -2.04 -2.77 116.97 114.52 3hxe h TYR 37 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3hxe h TYR 37 Cb 0.00 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 3hxe h TYR 37 CO 0.00 -0.04 -0.05 0.93 -1.64 0.00 0.00 178.16 177.36 3hxe h GLU 38 N -1.04 0.00 0.07 1.82 4.39 -2.04 -0.75 114.58 117.03 3hxe h GLU 38 Ca -0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 3hxe h GLU 38 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3hxe h GLU 38 CO 0.03 0.05 -0.63 -0.92 -1.16 0.00 0.00 179.01 176.38 3hxe h TYR 39 N 0.00 0.25 -0.73 4.33 3.20 -1.97 -2.65 116.97 119.40 3hxe h TYR 39 Ca -0.00 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.62 3hxe h TYR 39 Cb 0.36 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3hxe h TYR 39 CO 0.00 1.24 0.21 0.00 -1.64 0.00 0.00 178.16 177.97 3hxe n MET 41 N -4.24 0.21 -0.55 0.00 2.81 -0.31 -2.93 117.12 112.11 3hxe n MET 41 Ca 0.06 0.34 0.08 0.00 -1.81 0.00 0.00 57.70 56.37 3hxe n MET 41 Cb 0.24 -1.84 0.30 0.00 -0.71 0.00 0.00 33.22 31.21 3hxe n MET 41 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hxe n SER 42 N -2.22 4.37 -0.21 7.83 3.41 -1.00 -4.63 113.62 121.17 3hxe n SER 42 Ca 0.03 -2.78 0.12 0.00 -0.26 0.00 0.00 58.87 55.98 3hxe n SER 42 Cb 0.30 -0.55 0.43 0.00 -0.26 0.00 0.00 64.21 64.13 3hxe n SER 42 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3hxe h GLU 43 N 2.73 0.56 0.00 4.33 4.81 -1.52 -1.05 114.58 124.45 3hxe h GLU 43 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hxe h GLU 43 Cb 1.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3hxe h GLU 43 CO 0.26 0.37 0.18 2.48 -0.73 0.00 0.00 179.01 181.57 3hxe n TYR 44 N -4.51 0.54 -1.01 0.92 4.11 -1.26 -1.68 117.16 114.28 3hxe n TYR 44 Ca 0.15 0.28 0.08 0.00 -0.00 0.00 0.00 57.90 58.41 3hxe n TYR 44 Cb 0.45 -0.83 0.11 0.00 -0.00 0.00 0.00 39.34 39.07 3hxe n TYR 44 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 3hxe n LEU 45 N -2.11 2.13 -0.19 -3.48 -0.00 -0.40 -4.68 117.00 108.26 3hxe n LEU 45 Ca -0.01 -2.79 -0.04 0.00 -0.00 0.00 0.00 56.01 53.17 3hxe n LEU 45 Cb 0.20 -0.35 0.06 0.00 -0.00 0.00 0.00 43.42 43.34 3hxe n LEU 45 CO 0.07 0.65 1.05 -0.09 -0.00 0.00 0.00 177.39 179.07 3hxe h ARG 46 N 0.00 0.56 -0.83 1.47 9.65 -1.30 -0.50 114.38 123.43 3hxe h ARG 46 Ca 0.00 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3hxe h ARG 46 Cb 0.97 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.35 3hxe h ARG 46 CO 0.00 0.37 0.48 1.98 2.80 0.00 0.00 179.97 185.59 3hxe h MET 47 N 0.57 0.77 -0.36 0.20 4.05 -0.83 0.78 114.93 120.12 3hxe h MET 47 Ca 0.24 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.53 3hxe h MET 47 Cb 0.13 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3hxe h MET 47 CO -0.16 0.51 -0.11 0.77 0.23 0.00 0.00 176.91 178.16 3hxe h SER 48 N 0.79 0.72 -0.79 1.39 0.02 -1.43 -1.77 113.55 112.48 3hxe h SER 48 Ca 0.40 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3hxe h SER 48 Cb 0.38 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3hxe h SER 48 CO -0.25 0.93 0.49 1.23 -1.14 0.00 0.00 176.83 178.09 3hxe h GLY 49 N 0.50 1.17 0.99 -3.77 0.00 -0.64 0.11 103.07 101.43 3hxe h GLY 49 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hxe h GLY 49 CO 0.04 0.27 0.25 -2.08 0.00 0.00 0.00 176.54 175.02 3hxe h VAL 50 N 0.92 1.13 -0.43 4.60 2.07 -0.72 -2.21 116.25 121.61 3hxe h VAL 50 Ca 0.34 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3hxe h VAL 50 Cb 0.11 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3hxe h VAL 50 CO -0.15 0.13 0.04 0.22 0.02 0.00 0.00 177.57 177.83 3hxe h TYR 51 N 0.55 0.06 -0.63 1.57 3.20 -0.61 -1.10 116.97 120.00 3hxe h TYR 51 Ca 0.15 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3hxe h TYR 51 Cb -0.01 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3hxe h TYR 51 CO -0.04 -0.04 0.39 -1.49 -1.64 0.00 0.00 178.16 175.34 3hxe h TRP 52 N 0.16 0.74 -0.10 -3.82 6.55 -0.48 -0.84 115.95 118.15 3hxe h TRP 52 Ca 0.21 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.06 3hxe h TRP 52 Cb 0.29 -0.24 -0.00 0.00 -0.86 0.00 0.00 29.16 28.34 3hxe h TRP 52 CO -0.25 0.43 0.03 0.78 -1.05 0.00 0.00 178.44 178.38 3hxe h GLY 53 N 0.78 0.17 1.02 1.49 0.00 -1.15 -1.97 103.07 103.41 3hxe h GLY 53 Ca 0.25 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 3hxe h GLY 53 CO -0.09 0.10 -0.10 1.41 0.00 0.00 0.00 176.54 177.86 3hxe h LEU 54 N -0.03 0.87 -0.35 3.11 3.38 -1.12 -1.45 115.31 119.73 3hxe h LEU 54 Ca 0.03 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3hxe h LEU 54 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hxe h LEU 54 CO -0.00 1.02 0.18 0.74 0.09 0.00 0.00 178.44 180.47 3hxe h THR 55 N 0.70 1.15 -0.20 0.22 2.02 -1.16 -0.53 112.91 115.12 3hxe h THR 55 Ca 0.12 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3hxe h THR 55 Cb 0.64 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3hxe h THR 55 CO 0.04 0.16 -0.32 1.62 0.37 0.00 0.00 175.52 177.39 3hxe h VAL 56 N 0.43 1.28 -0.34 3.16 3.04 -1.28 -0.52 116.25 122.02 3hxe h VAL 56 Ca 0.12 -1.37 -0.03 0.00 -1.01 0.00 0.00 66.70 64.41 3hxe h VAL 56 Cb 0.09 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 3hxe h VAL 56 CO -0.02 0.43 0.08 0.24 -1.01 0.00 0.00 177.57 177.29 3hxe h MET 57 N 0.35 0.54 -0.61 4.17 2.07 -1.04 -1.21 114.93 119.19 3hxe h MET 57 Ca 0.04 -0.13 -0.07 0.00 -2.07 0.00 0.00 59.70 57.48 3hxe h MET 57 Cb 0.74 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.37 3hxe h MET 57 CO 0.06 0.59 0.11 0.22 1.07 0.00 0.00 176.91 178.96 3hxe h ASP 58 N 0.39 0.92 -0.37 1.22 -0.00 -0.78 0.14 116.42 117.93 3hxe h ASP 58 Ca 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 3hxe h ASP 58 Cb 0.30 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.36 3hxe h ASP 58 CO 0.00 0.92 0.24 -0.07 -0.00 0.00 0.00 179.24 180.33 3hxe h LEU 59 N 0.92 0.44 -0.55 2.28 3.38 -0.64 -2.11 115.31 119.03 3hxe h LEU 59 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hxe h LEU 59 Cb 0.39 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hxe h LEU 59 CO 0.01 0.33 -0.02 0.23 0.09 0.00 0.00 178.44 179.08 3hxe n MET 60 N -4.47 1.33 -1.14 1.13 2.81 -0.50 -0.55 117.12 115.73 3hxe n MET 60 Ca 0.03 -0.55 -0.05 0.00 -1.81 0.00 0.00 57.70 55.32 3hxe n MET 60 Cb 0.07 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.07 3hxe n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxe n GLY 61 N 1.13 0.74 0.46 3.03 0.00 -0.64 -4.95 105.19 104.96 3hxe n GLY 61 Ca 0.20 -0.84 0.09 0.00 0.00 0.00 0.00 46.02 45.46 3hxe n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hxe n GLN 62 N -2.86 1.95 0.12 1.61 1.13 0.39 -4.76 117.38 114.96 3hxe n GLN 62 Ca -0.05 -2.75 0.04 0.00 -1.94 0.00 0.00 57.00 52.31 3hxe n GLN 62 Cb 0.16 -1.66 0.47 0.00 0.11 0.00 0.00 30.24 29.32 3hxe n GLN 62 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3hxe h LEU 63 N 0.79 0.24 -2.37 1.08 5.85 -1.87 -2.08 115.31 116.96 3hxe h LEU 63 Ca 0.01 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3hxe h LEU 63 Cb 1.21 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3hxe h LEU 63 CO 0.11 0.27 0.09 1.12 -0.34 0.00 0.00 178.44 179.69 3hxe h HIS 64 N 0.27 0.00 0.00 1.25 2.07 -1.93 -1.82 115.15 115.00 3hxe h HIS 64 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 3hxe h HIS 64 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 3hxe h HIS 64 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3hxe n ARG 65 N -3.80 0.01 -2.71 5.12 1.74 -0.78 -4.78 116.66 111.46 3hxe n ARG 65 Ca -0.01 0.20 -0.21 0.00 -0.77 0.00 0.00 57.85 57.07 3hxe n ARG 65 Cb 0.19 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 3hxe n ARG 65 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hxe s MET 66 N -2.98 2.42 -0.68 5.56 -1.94 -0.68 -4.98 119.30 116.01 3hxe s MET 66 Ca 0.08 -0.97 -0.10 0.00 -1.71 0.00 0.00 55.69 53.00 3hxe s MET 66 Cb 0.11 -2.51 0.18 0.00 2.01 0.00 0.00 34.83 34.62 3hxe s MET 66 CO 0.31 -0.79 0.57 1.21 -0.01 0.00 0.00 175.02 176.31 3hxe s ASN 67 N -4.49 6.04 0.09 3.03 3.84 -1.26 -4.93 114.94 117.26 3hxe s ASN 67 Ca 0.59 -2.56 -0.28 0.00 0.21 0.00 0.00 52.86 50.82 3hxe s ASN 67 Cb -0.09 -2.06 -0.13 0.00 -0.55 0.00 0.00 41.25 38.42 3hxe s ASN 67 CO 0.39 -0.54 1.65 0.50 -2.79 0.00 0.00 177.10 176.30 3hxe h LYS 68 N 7.71 -0.52 -0.98 0.43 3.64 -1.92 -2.11 116.57 122.82 3hxe h LYS 68 Ca -0.01 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3hxe h LYS 68 Cb 1.02 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 3hxe h LYS 68 CO 0.78 -0.35 0.64 1.49 -2.27 0.00 0.00 179.45 179.74 3hxe h GLU 69 N -0.54 1.15 -0.21 1.90 4.81 -2.00 -1.03 114.58 118.66 3hxe h GLU 69 Ca -0.02 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 3hxe h GLU 69 Cb 0.48 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3hxe h GLU 69 CO -0.02 0.76 -0.52 1.49 -0.73 0.00 0.00 179.01 179.99 3hxe h GLU 70 N 1.19 0.59 -0.26 1.92 4.81 -1.94 -2.84 114.58 118.04 3hxe h GLU 70 Ca 0.40 -0.36 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3hxe h GLU 70 Cb 0.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3hxe h GLU 70 CO -0.14 0.97 -0.33 0.82 -0.73 0.00 0.00 179.01 179.59 3hxe h ILE 71 N 0.46 1.29 -0.49 2.32 2.04 -0.63 -2.28 117.51 120.21 3hxe h ILE 71 Ca 0.02 -1.44 -0.09 0.00 1.00 0.00 0.00 64.86 64.34 3hxe h ILE 71 Cb 1.06 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3hxe h ILE 71 CO 0.10 0.46 -0.06 -0.07 0.00 0.00 0.00 178.15 178.58 3hxe h LEU 72 N 0.47 0.91 -0.76 1.44 3.38 -1.07 -0.87 115.31 118.82 3hxe h LEU 72 Ca 0.05 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3hxe h LEU 72 Cb 0.80 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3hxe h LEU 72 CO 0.07 1.03 0.34 0.58 0.09 0.00 0.00 178.44 180.55 3hxe h VAL 73 N 0.77 1.25 -0.47 1.22 2.07 -1.48 -2.38 116.25 117.22 3hxe h VAL 73 Ca 0.13 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3hxe h VAL 73 Cb 0.60 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3hxe h VAL 73 CO 0.04 0.30 0.18 0.15 0.02 0.00 0.00 177.57 178.26 3hxe h PHE 74 N 1.07 0.73 0.16 1.57 3.57 -0.90 -2.37 116.94 120.78 3hxe h PHE 74 Ca 0.26 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hxe h PHE 74 Cb 0.15 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3hxe h PHE 74 CO 0.01 0.62 -0.11 0.82 -2.23 0.00 0.00 178.31 177.42 3hxe h ILE 75 N 0.62 0.75 -1.00 1.41 2.04 -1.11 -2.44 117.51 117.78 3hxe h ILE 75 Ca 0.16 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.19 3hxe h ILE 75 Cb 0.21 0.75 -0.10 0.00 -0.74 0.00 0.00 36.82 36.94 3hxe h ILE 75 CO -0.01 0.00 0.61 0.50 0.00 0.00 0.00 178.15 179.25 3hxe h LYS 76 N -0.28 0.80 0.00 2.37 3.64 -1.38 -0.27 116.57 121.46 3hxe h LYS 76 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hxe h LYS 76 Cb 0.24 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3hxe h LYS 76 CO 0.00 0.53 0.00 0.77 -2.27 0.00 0.00 179.45 178.48 3hxe h SER 77 N 0.83 0.00 0.02 4.20 0.02 -0.98 -2.86 113.55 114.78 3hxe h SER 77 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 3hxe h SER 77 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3hxe h SER 77 CO -0.35 0.00 -0.26 0.00 -1.14 0.00 0.00 176.83 175.08 3hxe s GLN 79 N -2.29 4.22 0.69 0.00 0.74 -1.08 -1.29 119.66 120.65 3hxe s GLN 79 Ca 0.24 1.20 -0.05 0.00 0.05 0.00 0.00 55.36 56.79 3hxe s GLN 79 Cb 0.19 -3.65 0.07 0.00 1.10 0.00 0.00 33.01 30.72 3hxe s GLN 79 CO 0.46 -0.61 0.98 -1.01 -0.55 0.00 0.00 175.29 174.56 3hxe s HIS 80 N 3.11 2.74 0.37 1.67 3.76 0.13 -4.96 115.29 122.12 3hxe s HIS 80 Ca 0.41 0.29 0.17 0.00 -0.15 0.00 0.00 55.06 55.79 3hxe s HIS 80 Cb -0.15 -3.14 0.94 0.00 1.11 0.00 0.00 32.58 31.34 3hxe s HIS 80 CO 0.07 -1.39 1.90 1.05 -0.85 0.00 0.00 174.74 175.53 3hxe h GLU 81 N -0.51 0.00 0.00 1.40 9.09 -1.97 -2.01 114.58 120.57 3hxe h GLU 81 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 3hxe h GLU 81 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3hxe h GLU 81 CO 0.56 0.28 0.00 0.00 0.05 0.00 0.00 179.01 179.90 3hxe n GLY 83 N -0.14 2.76 3.79 0.00 0.00 -0.76 -4.16 105.19 106.69 3hxe n GLY 83 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3hxe n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxe s GLY 84 N -2.45 1.92 -0.09 -0.02 0.00 -1.26 -3.81 107.32 101.61 3hxe s GLY 84 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.07 3hxe s GLY 84 CO 0.00 0.66 -0.15 0.14 0.00 0.00 0.00 173.10 173.75 3hxe s VAL 85 N -2.67 2.92 0.59 1.40 1.01 -1.26 0.19 120.40 122.58 3hxe s VAL 85 Ca 0.62 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3hxe s VAL 85 Cb -0.17 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.07 3hxe s VAL 85 CO 0.47 0.56 0.85 -0.94 0.00 0.00 0.00 175.10 176.03 3hxe s SER 86 N -0.11 5.30 0.44 3.32 1.04 -0.41 -1.43 113.70 121.85 3hxe s SER 86 Ca -0.02 0.32 0.21 0.00 0.48 0.00 0.00 55.95 56.95 3hxe s SER 86 Cb -0.14 -1.22 0.99 0.00 0.10 0.00 0.00 66.02 65.75 3hxe s SER 86 CO 0.04 -1.18 1.88 0.00 0.98 0.00 0.00 173.24 174.96 3hxe h ALA 87 N -0.12 1.17 -2.32 5.32 0.00 -1.84 -3.44 119.26 118.03 3hxe h ALA 87 Ca -0.44 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.42 3hxe h ALA 87 Cb 1.29 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 3hxe h ALA 87 CO 0.57 0.32 0.54 0.45 0.00 0.00 0.00 179.25 181.13 3hxe s SER 88 N -6.39 -0.11 0.12 0.00 0.15 -1.26 -0.15 113.70 106.05 3hxe s SER 88 Ca -0.01 -0.47 -0.31 0.00 0.70 0.00 0.00 55.95 55.86 3hxe s SER 88 Cb 0.12 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.83 3hxe s SER 88 CO 0.65 -0.89 1.29 -0.63 1.20 0.00 0.00 173.24 174.86 3hxe s ILE 89 N -2.90 3.58 0.00 6.45 1.01 -1.26 -1.82 121.20 126.26 3hxe s ILE 89 Ca 0.15 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.98 3hxe s ILE 89 Cb -0.01 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3hxe s ILE 89 CO 0.03 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3hxe n GLY 90 N 3.07 2.13 3.95 6.18 0.00 -1.26 -5.03 105.19 114.23 3hxe n GLY 90 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3hxe n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxe s HIS 91 N -3.12 2.34 0.11 1.61 3.76 -0.76 -5.08 115.29 114.15 3hxe s HIS 91 Ca 0.00 0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 55.05 3hxe s HIS 91 Cb 0.00 -3.31 -0.06 0.00 1.11 0.00 0.00 32.58 30.32 3hxe s HIS 91 CO 0.00 -1.70 0.40 -0.51 -0.85 0.00 0.00 174.74 172.08 3hxe s ASP 92 N -4.64 6.58 0.48 1.40 -0.00 -1.26 -4.75 116.67 114.49 3hxe s ASP 92 Ca 0.64 0.73 -0.23 0.00 -0.00 0.00 0.00 52.55 53.69 3hxe s ASP 92 Cb -0.08 -2.15 -0.07 0.00 -0.00 0.00 0.00 42.92 40.62 3hxe s ASP 92 CO 0.46 0.11 1.29 -2.16 -0.00 0.00 0.00 175.17 174.87 3hxe s PRO 93 N -2.26 3.53 0.00 8.23 0.04 -1.26 -4.29 135.00 139.00 3hxe s PRO 93 Ca 0.37 2.09 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 3hxe s PRO 93 Cb -0.13 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.01 3hxe s PRO 93 CO 0.21 -0.83 0.37 -1.58 0.04 0.00 0.00 177.00 175.21 3hxe s HIS 94 N -1.36 -0.23 0.38 0.56 2.46 -0.51 -4.83 115.29 111.75 3hxe s HIS 94 Ca 0.65 0.30 0.10 0.00 0.47 0.00 0.00 55.06 56.58 3hxe s HIS 94 Cb -0.36 0.15 0.86 0.00 -0.13 0.00 0.00 32.58 33.10 3hxe s HIS 94 CO 0.44 -0.47 1.93 -0.07 -2.47 0.00 0.00 174.74 174.10 3hxe h LEU 95 N 3.48 0.57 -0.64 8.88 3.38 -1.08 -1.52 115.31 128.39 3hxe h LEU 95 Ca -0.30 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hxe h LEU 95 Cb 1.18 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3hxe h LEU 95 CO 0.42 0.33 0.40 -0.07 0.09 0.00 0.00 178.44 179.61 3hxe h LEU 96 N 0.63 0.67 0.00 1.67 3.38 -1.91 -1.62 115.31 118.13 3hxe h LEU 96 Ca 0.36 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.21 3hxe h LEU 96 Cb 0.54 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3hxe h LEU 96 CO -0.13 0.47 -0.99 1.88 0.09 0.00 0.00 178.44 179.77 3hxe h TYR 97 N 0.80 0.00 -0.46 1.13 0.05 -1.73 -2.44 116.97 114.33 3hxe h TYR 97 Ca 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.99 3hxe h TYR 97 Cb -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3hxe h TYR 97 CO -0.04 0.46 0.13 1.15 -1.05 0.00 0.00 178.16 178.81 3hxe h THR 98 N 0.00 1.23 0.30 -2.88 2.02 -1.11 -1.00 112.91 111.46 3hxe h THR 98 Ca -0.08 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3hxe h THR 98 Cb 1.42 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3hxe h THR 98 CO 0.05 0.27 -0.30 0.25 0.37 0.00 0.00 175.52 176.16 3hxe h LEU 99 N 0.60 -0.80 -0.77 2.58 5.85 -1.21 -1.86 115.31 119.71 3hxe h LEU 99 Ca 0.15 0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.03 3hxe h LEU 99 Cb 0.28 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3hxe h LEU 99 CO -0.00 -0.42 0.41 0.28 -0.34 0.00 0.00 178.44 178.37 3hxe h SER 100 N -0.62 0.56 -0.41 1.25 0.02 -1.37 0.16 113.55 113.14 3hxe h SER 100 Ca -0.01 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3hxe h SER 100 Cb 0.57 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3hxe h SER 100 CO -0.06 0.32 0.25 0.00 -1.14 0.00 0.00 176.83 176.20 3hxe h ALA 101 N 1.44 0.51 -0.10 3.77 0.00 -1.11 -1.10 119.26 122.67 3hxe h ALA 101 Ca 0.37 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 3hxe h ALA 101 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hxe h ALA 101 CO -0.26 -0.06 -0.58 0.28 0.00 0.00 0.00 179.25 178.63 3hxe h VAL 102 N 0.51 1.36 -0.48 0.00 2.07 -0.46 -1.02 116.25 118.24 3hxe h VAL 102 Ca 0.16 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 3hxe h VAL 102 Cb -0.02 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3hxe h VAL 102 CO -0.06 0.57 0.25 1.56 0.02 0.00 0.00 177.57 179.92 3hxe h GLN 103 N 0.25 0.68 -0.06 1.57 4.20 -0.41 -0.89 115.11 120.46 3hxe h GLN 103 Ca -0.00 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3hxe h GLN 103 Cb 1.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3hxe h GLN 103 CO 0.10 0.55 0.01 0.82 -0.67 0.00 0.00 178.83 179.63 3hxe h ILE 104 N 0.63 0.97 -0.11 2.54 2.04 -0.93 -0.58 117.51 122.07 3hxe h ILE 104 Ca 0.17 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 3hxe h ILE 104 Cb 0.08 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3hxe h ILE 104 CO -0.02 0.01 -0.10 -0.07 0.00 0.00 0.00 178.15 177.96 3hxe h LEU 105 N 0.03 0.15 -0.30 1.44 3.38 -1.10 -0.84 115.31 118.08 3hxe h LEU 105 Ca 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hxe h LEU 105 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hxe h LEU 105 CO -0.04 0.29 0.06 0.74 0.09 0.00 0.00 178.44 179.58 3hxe h THR 106 N 0.16 1.22 -0.99 0.22 2.02 -0.84 0.20 112.91 114.91 3hxe h THR 106 Ca 0.04 -0.76 0.13 0.00 0.77 0.00 0.00 66.41 66.59 3hxe h THR 106 Cb 0.29 1.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 3hxe h THR 106 CO 0.02 0.25 0.62 -0.07 0.37 0.00 0.00 175.52 176.71 3hxe h LEU 107 N 0.32 0.87 -1.51 2.58 3.38 -0.54 -2.65 115.31 117.76 3hxe h LEU 107 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hxe h LEU 107 Cb 0.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hxe h LEU 107 CO 0.00 0.45 0.00 -1.22 0.09 0.00 0.00 178.44 177.76 3hxe n TYR 108 N -4.62 0.41 -4.31 1.13 4.01 -0.37 -4.93 117.16 108.47 3hxe n TYR 108 Ca 0.19 -0.20 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 3hxe n TYR 108 Cb 0.39 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.34 3hxe n TYR 108 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hxe n ASP 109 N 0.70 -0.13 -2.33 7.72 2.03 -0.13 -4.88 116.55 119.53 3hxe n ASP 109 Ca 0.16 -1.22 -0.15 0.00 0.52 0.00 0.00 54.79 54.11 3hxe n ASP 109 Cb 0.39 -1.87 0.03 0.00 -0.72 0.00 0.00 41.12 38.95 3hxe n ASP 109 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hxe n SER 110 N -2.79 3.61 0.12 1.67 7.64 0.52 -4.92 113.62 119.48 3hxe n SER 110 Ca -0.20 -3.08 0.06 0.00 1.01 0.00 0.00 58.87 56.66 3hxe n SER 110 Cb 0.63 -0.39 0.53 0.00 -1.01 0.00 0.00 64.21 63.96 3hxe n SER 110 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3hxe h ILE 111 N 3.51 1.06 0.00 0.44 1.08 -1.90 -1.70 117.51 120.00 3hxe h ILE 111 Ca 0.17 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3hxe h ILE 111 Cb 1.43 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 3hxe h ILE 111 CO 0.53 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 178.05 3hxe n HIS 112 N -4.50 0.00 0.21 1.37 1.44 -1.26 -2.56 115.22 109.92 3hxe n HIS 112 Ca 0.00 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.76 3hxe n HIS 112 Cb 0.07 -0.44 0.47 0.00 0.12 0.00 0.00 29.99 30.21 3hxe n HIS 112 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3hxe h VAL 113 N 0.00 1.10 -1.32 0.61 2.07 -1.73 -3.44 116.25 113.54 3hxe h VAL 113 Ca 0.00 -0.92 -0.59 0.00 0.82 0.00 0.00 66.70 66.01 3hxe h VAL 113 Cb 0.10 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.29 3hxe h VAL 113 CO 0.00 0.25 -0.48 0.27 0.02 0.00 0.00 177.57 177.63 3hxe s ILE 114 N -4.35 2.05 -0.65 4.57 -4.36 -1.06 -4.74 121.20 112.66 3hxe s ILE 114 Ca -0.03 -1.74 -0.22 0.00 -0.26 0.00 0.00 60.65 58.40 3hxe s ILE 114 Cb 0.15 -2.79 0.08 0.00 1.25 0.00 0.00 42.46 41.14 3hxe s ILE 114 CO 0.69 0.00 0.93 0.21 0.24 0.00 0.00 174.94 177.01 3hxe s ASN 115 N -3.93 6.18 0.17 4.36 3.04 -1.26 -4.92 114.94 118.58 3hxe s ASN 115 Ca 0.35 -1.06 -0.11 0.00 0.04 0.00 0.00 52.86 52.09 3hxe s ASN 115 Cb 0.03 -2.40 0.06 0.00 -1.54 0.00 0.00 41.25 37.41 3hxe s ASN 115 CO 0.20 -1.40 1.67 0.58 -3.04 0.00 0.00 177.10 175.10 3hxe h VAL 116 N 5.97 1.26 -0.96 -5.21 2.07 -1.94 -1.81 116.25 115.62 3hxe h VAL 116 Ca -0.29 -0.98 0.08 0.00 0.82 0.00 0.00 66.70 66.33 3hxe h VAL 116 Cb 1.07 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3hxe h VAL 116 CO 1.17 0.36 0.61 0.44 0.02 0.00 0.00 177.57 180.18 3hxe h ASP 117 N 0.88 0.96 0.52 0.57 3.32 -2.00 -1.59 116.42 119.10 3hxe h ASP 117 Ca 0.18 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 3hxe h ASP 117 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3hxe h ASP 117 CO 0.01 0.59 -0.76 0.11 -1.72 0.00 0.00 179.24 177.48 3hxe h LYS 118 N 1.09 0.18 -0.04 3.56 1.57 -1.80 -1.90 116.57 119.23 3hxe h LYS 118 Ca 0.43 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3hxe h LYS 118 Cb 0.23 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hxe h LYS 118 CO -0.19 0.86 0.02 0.28 -0.57 0.00 0.00 179.45 179.85 3hxe h VAL 119 N 0.12 1.05 -0.50 0.50 2.07 -0.91 -0.37 116.25 118.21 3hxe h VAL 119 Ca -0.03 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.42 3hxe h VAL 119 Cb 1.33 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 3hxe h VAL 119 CO 0.11 0.04 0.16 0.58 0.02 0.00 0.00 177.57 178.49 3hxe h VAL 120 N -0.00 0.81 -0.63 2.57 2.07 -1.22 -0.48 116.25 119.37 3hxe h VAL 120 Ca 0.01 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3hxe h VAL 120 Cb 0.05 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3hxe h VAL 120 CO -0.00 0.06 0.27 0.00 0.02 0.00 0.00 177.57 177.92 3hxe h ALA 121 N 1.35 1.29 -0.06 1.67 0.00 -1.20 -0.04 119.26 122.26 3hxe h ALA 121 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hxe h ALA 121 Cb 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hxe h ALA 121 CO -0.26 0.54 0.02 -0.92 0.00 0.00 0.00 179.25 178.62 3hxe h TYR 122 N 0.90 0.10 0.05 0.00 3.20 -0.08 -2.16 116.97 118.98 3hxe h TYR 122 Ca 0.22 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3hxe h TYR 122 Cb 0.14 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3hxe h TYR 122 CO 0.01 0.27 -0.04 0.28 -1.64 0.00 0.00 178.16 177.04 3hxe h VAL 123 N -0.09 0.92 -0.93 1.81 2.07 -0.89 -2.45 116.25 116.69 3hxe h VAL 123 Ca 0.02 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.74 3hxe h VAL 123 Cb 0.22 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3hxe h VAL 123 CO -0.00 0.00 0.61 -0.61 0.02 0.00 0.00 177.57 177.59 3hxe h GLN 124 N -0.09 0.46 0.00 1.57 4.15 -0.97 -2.15 115.11 118.08 3hxe h GLN 124 Ca -0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 3hxe h GLN 124 Cb 0.08 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3hxe h GLN 124 CO -0.00 0.31 -0.23 0.66 -1.93 0.00 0.00 178.83 177.63 3hxe h SER 125 N 0.48 0.00 0.27 -0.69 4.64 -0.89 -3.06 113.55 114.30 3hxe h SER 125 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3hxe h SER 125 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3hxe h SER 125 CO -0.22 0.23 -0.20 0.18 -0.87 0.00 0.00 176.83 175.96 3hxe n LEU 126 N -3.38 0.85 -4.74 5.97 4.77 -0.81 -4.88 117.00 114.78 3hxe n LEU 126 Ca 0.00 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.39 3hxe n LEU 126 Cb 0.44 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3hxe n LEU 126 CO 0.34 0.16 0.85 -1.58 -1.33 0.00 0.00 177.39 175.83 3hxe s GLN 127 N -2.48 4.52 0.44 3.23 0.74 -1.16 -1.73 119.66 123.23 3hxe s GLN 127 Ca 0.26 1.82 0.08 0.00 0.05 0.00 0.00 55.36 57.57 3hxe s GLN 127 Cb 0.20 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 31.07 3hxe s GLN 127 CO 0.50 -0.04 0.61 0.15 -0.55 0.00 0.00 175.29 175.95 3hxe s LYS 128 N -0.21 2.75 0.37 1.67 -0.14 0.11 -4.98 119.74 119.30 3hxe s LYS 128 Ca 0.52 -1.30 0.06 0.00 -1.36 0.00 0.00 55.97 53.89 3hxe s LYS 128 Cb -0.31 -2.74 0.74 0.00 -1.68 0.00 0.00 37.83 33.83 3hxe s LYS 128 CO 0.36 -0.37 1.95 1.05 -0.76 0.00 0.00 175.35 177.58 3hxe h GLU 129 N 0.56 0.48 0.00 1.68 4.11 -1.96 -1.13 114.58 118.31 3hxe h GLU 129 Ca -0.38 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3hxe h GLU 129 Cb 1.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3hxe h GLU 129 CO 0.44 0.44 0.00 -0.40 0.07 0.00 0.00 179.01 179.57 3hxe n ASP 130 N -4.35 0.00 0.00 3.06 5.68 -1.26 -4.88 116.55 114.80 3hxe n ASP 130 Ca 0.02 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 3hxe n ASP 130 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3hxe n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxe n GLY 131 N 0.76 2.02 3.73 6.12 0.00 -0.43 -4.21 105.19 113.18 3hxe n GLY 131 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3hxe n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxe s SER 132 N -1.52 3.68 -0.10 1.61 1.04 -1.26 -3.90 113.70 113.25 3hxe s SER 132 Ca 0.00 1.57 0.02 0.00 0.48 0.00 0.00 55.95 58.02 3hxe s SER 132 Cb 0.00 -2.25 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 3hxe s SER 132 CO 0.00 -2.52 -0.17 -0.36 0.98 0.00 0.00 173.24 171.17 3hxe s PHE 133 N -2.92 2.71 0.44 5.02 0.40 -1.26 0.08 117.98 122.44 3hxe s PHE 133 Ca 0.63 -0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 56.12 3hxe s PHE 133 Cb -0.18 -1.75 -0.11 0.00 0.51 0.00 0.00 43.02 41.49 3hxe s PHE 133 CO 0.57 -0.17 0.95 0.00 0.70 0.00 0.00 175.22 177.26 3hxe s ALA 134 N 0.09 3.05 0.28 5.36 0.00 -0.71 -3.39 121.76 126.44 3hxe s ALA 134 Ca -0.07 0.37 0.13 0.00 0.00 0.00 0.00 51.96 52.39 3hxe s ALA 134 Cb -0.15 -3.14 0.52 0.00 0.00 0.00 0.00 23.12 20.35 3hxe s ALA 134 CO 0.05 0.10 1.69 0.78 0.00 0.00 0.00 175.76 178.38 3hxe h GLY 135 N 1.82 0.00 -0.26 0.00 0.00 -1.62 -3.47 103.07 99.55 3hxe h GLY 135 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.87 3hxe h GLY 135 CO 0.61 0.00 0.11 2.09 0.00 0.00 0.00 176.54 179.35 3hxe n ASP 136 N -3.82 -0.32 0.06 0.19 5.68 -1.26 -0.50 116.55 116.57 3hxe n ASP 136 Ca -0.01 -1.17 0.06 0.00 -0.50 0.00 0.00 54.79 53.17 3hxe n ASP 136 Cb 0.54 0.52 0.29 0.00 -1.14 0.00 0.00 41.12 41.33 3hxe n ASP 136 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3hxe n ILE 137 N -0.13 1.35 1.45 2.12 -5.35 -1.26 -2.22 119.36 115.31 3hxe n ILE 137 Ca -0.00 0.46 0.14 0.00 -0.27 0.00 0.00 62.75 63.07 3hxe n ILE 137 Cb 0.11 -1.39 0.50 0.00 -1.74 0.00 0.00 39.64 37.13 3hxe n ILE 137 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3hxe n TRP 138 N -1.80 0.00 -0.34 4.28 7.02 -1.26 -4.97 117.44 120.37 3hxe n TRP 138 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3hxe n TRP 138 Cb 0.08 -0.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 3hxe n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hxe n GLY 139 N 1.22 0.79 3.71 6.99 0.00 -0.94 -5.02 105.19 111.93 3hxe n GLY 139 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hxe n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxe s GLU 140 N -0.66 4.28 -0.18 1.61 2.12 -1.26 -4.84 118.70 119.76 3hxe s GLU 140 Ca 0.00 2.12 -0.06 0.00 0.36 0.00 0.00 54.97 57.39 3hxe s GLU 140 Cb 0.00 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 3hxe s GLU 140 CO 0.00 -0.53 0.04 0.42 -0.54 0.00 0.00 175.26 174.65 3hxe s ILE 141 N 1.62 4.51 -0.24 -3.70 -1.09 -1.26 -1.58 121.20 119.46 3hxe s ILE 141 Ca 0.66 -0.13 -0.22 0.00 -2.23 0.00 0.00 60.65 58.73 3hxe s ILE 141 Cb -0.37 -3.03 0.06 0.00 -1.58 0.00 0.00 42.46 37.54 3hxe s ILE 141 CO 0.30 0.45 0.64 -0.62 -1.23 0.00 0.00 174.94 174.48 3hxe s ASP 142 N 0.51 -0.67 0.58 3.58 -1.08 -1.22 -4.81 116.67 113.56 3hxe s ASP 142 Ca 0.02 1.30 0.38 0.00 -0.52 0.00 0.00 52.55 53.72 3hxe s ASP 142 Cb -0.13 1.31 2.07 0.00 -1.46 0.00 0.00 42.92 44.71 3hxe s ASP 142 CO 0.01 -0.22 2.17 0.71 0.52 0.00 0.00 175.17 178.36 3hxe h THR 143 N 4.15 0.00 -0.93 1.71 1.35 -0.93 0.14 112.91 118.39 3hxe h THR 143 Ca -0.29 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.69 3hxe h THR 143 Cb 1.17 0.85 -0.07 0.00 -1.73 0.00 0.00 68.15 68.36 3hxe h THR 143 CO 0.10 0.00 0.60 0.03 -0.25 0.00 0.00 175.52 176.00 3hxe h ARG 144 N 0.00 0.87 0.00 4.72 3.08 -1.92 -2.24 114.38 118.88 3hxe h ARG 144 Ca 0.00 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 3hxe h ARG 144 Cb 0.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3hxe h ARG 144 CO 0.00 0.58 -0.82 0.74 -1.07 0.00 0.00 179.97 179.40 3hxe h PHE 145 N 0.90 0.00 -0.62 3.04 0.05 -1.01 -0.74 116.94 118.56 3hxe h PHE 145 Ca 0.45 0.00 0.01 0.00 3.82 0.00 0.00 57.97 62.25 3hxe h PHE 145 Cb 0.48 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.40 3hxe h PHE 145 CO -0.00 0.82 0.41 0.77 -0.18 0.00 0.00 178.31 180.13 3hxe h SER 146 N 0.00 0.70 -0.23 2.17 0.02 -1.44 -0.64 113.55 114.14 3hxe h SER 146 Ca -0.01 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3hxe h SER 146 Cb 1.60 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 3hxe h SER 146 CO 0.11 0.50 0.03 0.15 -1.14 0.00 0.00 176.83 176.48 3hxe h PHE 147 N 0.83 0.41 -0.74 3.45 3.57 -1.25 -2.11 116.94 121.10 3hxe h PHE 147 Ca 0.23 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3hxe h PHE 147 Cb -0.07 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 3hxe h PHE 147 CO -0.03 0.52 0.42 0.00 -2.23 0.00 0.00 178.31 176.98 3hxe h ALA 149 N 1.39 -0.23 -0.13 0.00 0.00 -1.01 -1.50 119.26 117.78 3hxe h ALA 149 Ca 0.34 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3hxe h ALA 149 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hxe h ALA 149 CO -0.21 -0.52 -0.65 -0.39 0.00 0.00 0.00 179.25 177.48 3hxe h VAL 150 N -0.44 1.34 -0.80 0.00 -1.51 -1.14 -1.07 116.25 112.63 3hxe h VAL 150 Ca -0.02 -1.96 -0.05 0.00 -1.23 0.00 0.00 66.70 63.44 3hxe h VAL 150 Cb 0.34 1.94 -0.04 0.00 -2.13 0.00 0.00 31.29 31.41 3hxe h VAL 150 CO 0.04 0.60 0.32 0.00 -1.23 0.00 0.00 177.57 177.30 3hxe h ALA 151 N 0.91 1.05 0.15 5.19 0.00 -0.90 0.68 119.26 126.34 3hxe h ALA 151 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3hxe h ALA 151 Cb 1.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hxe h ALA 151 CO 0.12 0.67 -0.07 1.15 0.00 0.00 0.00 179.25 181.12 3hxe h THR 152 N 1.17 0.89 -0.70 0.00 2.02 -1.16 -2.14 112.91 113.00 3hxe h THR 152 Ca 0.27 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3hxe h THR 152 Cb 0.22 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3hxe h THR 152 CO -0.02 0.04 0.25 -0.07 0.37 0.00 0.00 175.52 176.09 3hxe h LEU 153 N -0.27 0.99 -0.81 2.58 3.38 -1.10 -2.65 115.31 117.43 3hxe h LEU 153 Ca -0.02 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3hxe h LEU 153 Cb 0.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3hxe h LEU 153 CO 0.03 0.91 0.51 0.00 0.09 0.00 0.00 178.44 179.98 3hxe h ALA 154 N 1.12 1.09 0.00 1.53 0.00 -0.77 -0.40 119.26 121.82 3hxe h ALA 154 Ca 0.23 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3hxe h ALA 154 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hxe h ALA 154 CO -0.01 0.30 -0.32 -0.07 0.00 0.00 0.00 179.25 179.15 3hxe h LEU 155 N 0.98 0.00 -0.61 0.00 3.38 -1.18 -2.51 115.31 115.37 3hxe h LEU 155 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3hxe h LEU 155 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hxe h LEU 155 CO -0.13 0.32 -0.15 0.18 0.09 0.00 0.00 178.44 178.75 3hxe n LEU 156 N -3.81 1.09 -0.42 1.67 4.77 -0.88 -4.98 117.00 114.44 3hxe n LEU 156 Ca -0.01 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 3hxe n LEU 156 Cb 0.40 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3hxe n LEU 156 CO 0.36 0.19 -0.05 0.61 -1.33 0.00 0.00 177.39 177.18 3hxe n GLY 157 N 1.27 0.47 1.13 -0.72 0.00 -0.46 -4.94 105.19 101.93 3hxe n GLY 157 Ca 0.15 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.40 3hxe n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxe n LYS 158 N -2.18 1.34 0.27 1.61 4.76 -0.29 -4.78 118.16 118.89 3hxe n LYS 158 Ca -0.05 -3.03 0.11 0.00 -2.87 0.00 0.00 58.31 52.48 3hxe n LYS 158 Cb 0.34 -1.21 0.75 0.00 -1.84 0.00 0.00 35.03 33.06 3hxe n LYS 158 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hxe h LEU 159 N 1.21 0.00 0.00 -0.35 6.46 -1.90 -1.77 115.31 118.96 3hxe h LEU 159 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3hxe h LEU 159 Cb 1.33 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 3hxe h LEU 159 CO 0.12 0.00 0.00 -0.90 -0.62 0.00 0.00 178.44 177.04 3hxe n ASP 160 N -4.26 0.00 0.07 1.25 3.85 -1.26 -2.89 116.55 113.30 3hxe n ASP 160 Ca -0.03 0.39 0.11 0.00 -0.71 0.00 0.00 54.79 54.55 3hxe n ASP 160 Cb 0.10 -0.43 0.44 0.00 -1.35 0.00 0.00 41.12 39.87 3hxe n ASP 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hxe n ALA 161 N -1.43 1.88 -2.49 2.12 0.00 -0.66 -4.82 120.51 115.11 3hxe n ALA 161 Ca 0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 3hxe n ALA 161 Cb 0.10 -1.37 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 3hxe n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3hxe s ILE 162 N -3.13 2.15 -0.86 0.00 -5.25 -1.14 -4.82 121.20 108.14 3hxe s ILE 162 Ca 0.08 -1.76 -0.22 0.00 -0.99 0.00 0.00 60.65 57.76 3hxe s ILE 162 Cb 0.11 -2.91 0.07 0.00 2.95 0.00 0.00 42.46 42.69 3hxe s ILE 162 CO 0.41 0.00 1.21 0.21 -1.79 0.00 0.00 174.94 174.99 3hxe s ASN 163 N -3.89 6.40 0.06 4.36 3.84 -1.26 -4.89 114.94 119.56 3hxe s ASN 163 Ca 0.38 -1.34 -0.17 0.00 0.21 0.00 0.00 52.86 51.93 3hxe s ASN 163 Cb 0.05 -2.48 -0.15 0.00 -0.55 0.00 0.00 41.25 38.11 3hxe s ASN 163 CO 0.21 -1.42 1.30 0.58 -2.79 0.00 0.00 177.10 174.97 3hxe h VAL 164 N 6.19 1.35 -0.57 -5.21 2.07 -1.93 -1.51 116.25 116.63 3hxe h VAL 164 Ca -0.01 -1.65 0.02 0.00 0.82 0.00 0.00 66.70 65.88 3hxe h VAL 164 Cb 1.04 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 3hxe h VAL 164 CO 1.25 0.50 0.35 -0.08 0.02 0.00 0.00 177.57 179.62 3hxe h GLU 165 N 0.18 0.68 -0.51 1.57 4.57 -1.99 0.11 114.58 119.20 3hxe h GLU 165 Ca -0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3hxe h GLU 165 Cb 1.00 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 3hxe h GLU 165 CO 0.09 0.45 0.11 0.87 -1.18 0.00 0.00 179.01 179.35 3hxe h LYS 166 N 0.70 0.79 -0.55 1.92 1.79 -1.92 -1.53 116.57 117.78 3hxe h LYS 166 Ca 0.23 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 3hxe h LYS 166 Cb 0.00 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3hxe h LYS 166 CO -0.09 0.72 0.03 0.00 -1.08 0.00 0.00 179.45 179.03 3hxe h ALA 167 N 1.37 0.73 -0.20 3.86 0.00 -0.50 -1.95 119.26 122.57 3hxe h ALA 167 Ca 0.17 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hxe h ALA 167 Cb 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hxe h ALA 167 CO 0.00 0.53 0.01 0.82 0.00 0.00 0.00 179.25 180.61 3hxe h ILE 168 N 0.83 0.88 -0.95 0.00 2.04 -0.65 -2.03 117.51 117.62 3hxe h ILE 168 Ca 0.16 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.02 3hxe h ILE 168 Cb 0.50 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3hxe h ILE 168 CO 0.02 0.01 0.63 -0.08 0.00 0.00 0.00 178.15 178.74 3hxe h GLU 169 N 0.08 1.21 -0.13 2.37 4.81 -1.10 0.28 114.58 122.10 3hxe h GLU 169 Ca 0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3hxe h GLU 169 Cb 0.11 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hxe h GLU 169 CO -0.14 0.80 0.06 0.35 -0.73 0.00 0.00 179.01 179.34 3hxe h PHE 170 N 1.24 0.19 -0.66 0.92 3.57 -1.19 -0.70 116.94 120.30 3hxe h PHE 170 Ca 0.37 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 3hxe h PHE 170 Cb -0.06 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3hxe h PHE 170 CO -0.00 0.25 0.24 0.28 -2.23 0.00 0.00 178.31 176.85 3hxe h VAL 171 N 0.07 1.24 -0.01 1.41 2.07 -0.91 -1.98 116.25 118.15 3hxe h VAL 171 Ca 0.04 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 3hxe h VAL 171 Cb 0.14 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3hxe h VAL 171 CO -0.00 0.31 -0.41 -0.07 0.02 0.00 0.00 177.57 177.42 3hxe h LEU 172 N 0.94 0.01 -1.20 2.57 3.38 -0.86 -0.73 115.31 119.42 3hxe h LEU 172 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hxe h LEU 172 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hxe h LEU 172 CO -0.01 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.40 3hxe n SER 173 N -4.05 0.50 -0.89 -0.43 3.41 -0.28 -2.01 113.62 109.86 3hxe n SER 173 Ca -0.02 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3hxe n SER 173 Cb 0.44 -0.79 0.28 0.00 -0.26 0.00 0.00 64.21 63.87 3hxe n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxe s MET 175 N -1.60 4.68 0.48 0.00 0.00 -0.85 -2.14 119.30 119.86 3hxe s MET 175 Ca 0.35 1.47 0.04 0.00 0.00 0.00 0.00 55.69 57.55 3hxe s MET 175 Cb 0.20 -3.04 -0.03 0.00 0.00 0.00 0.00 34.83 31.96 3hxe s MET 175 CO 0.29 0.34 0.06 -0.80 0.00 0.00 0.00 175.02 174.91 3hxe s ASN 176 N -1.33 4.14 0.52 1.11 0.01 0.66 -4.96 114.94 115.08 3hxe s ASN 176 Ca 0.46 -1.49 0.19 0.00 -0.71 0.00 0.00 52.86 51.32 3hxe s ASN 176 Cb -0.24 0.17 1.29 0.00 0.41 0.00 0.00 41.25 42.89 3hxe s ASN 176 CO 0.30 -0.74 2.08 2.19 -1.51 0.00 0.00 177.10 179.42 3hxe h PHE 177 N 1.41 0.04 -0.15 2.20 -5.15 -1.96 -1.43 116.94 111.91 3hxe h PHE 177 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 3hxe h PHE 177 Cb 1.29 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3hxe h PHE 177 CO 1.18 0.02 0.00 -0.40 -2.00 0.00 0.00 178.31 177.11 3hxe n ASP 178 N -4.47 1.68 0.00 -0.68 5.68 -1.26 -4.93 116.55 112.57 3hxe n ASP 178 Ca 0.03 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 3hxe n ASP 178 Cb 0.31 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 3hxe n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxe n GLY 179 N 1.15 2.49 0.00 6.12 0.00 -0.54 -4.36 105.19 110.05 3hxe n GLY 179 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hxe n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxe n GLY 180 N -2.00 -0.58 3.02 -0.02 0.00 -1.26 -4.62 105.19 99.74 3hxe n GLY 180 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 3hxe n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxe s PHE 181 N -0.58 0.59 0.52 1.61 0.40 -1.26 -0.24 117.98 119.02 3hxe s PHE 181 Ca 0.00 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3hxe s PHE 181 Cb 0.00 -0.36 0.01 0.00 0.51 0.00 0.00 43.02 43.18 3hxe s PHE 181 CO 0.00 -0.06 0.24 0.20 0.70 0.00 0.00 175.22 176.30 3hxe s GLY 182 N -1.09 2.61 0.32 4.36 0.00 -0.91 -2.90 107.32 109.72 3hxe s GLY 182 Ca -0.06 -0.99 0.17 0.00 0.00 0.00 0.00 44.72 43.84 3hxe s GLY 182 CO 0.00 -2.03 1.54 0.00 0.00 0.00 0.00 173.10 172.61 3hxe s ARG 184 N -3.15 1.17 -0.01 0.00 0.52 -1.26 -0.32 118.95 115.91 3hxe s ARG 184 Ca 0.03 -1.14 -0.35 0.00 -0.52 0.00 0.00 55.73 53.74 3hxe s ARG 184 Cb 0.08 0.39 -0.14 0.00 0.52 0.00 0.00 34.95 35.80 3hxe s ARG 184 CO 0.72 -0.44 1.69 -2.30 0.02 0.00 0.00 175.30 174.99 3hxe n PRO 185 N -0.22 1.87 -0.33 3.54 -0.02 -1.26 -1.27 135.00 137.30 3hxe n PRO 185 Ca -0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3hxe n PRO 185 Cb 0.63 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3hxe n PRO 185 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxe n GLY 186 N 3.79 0.86 3.81 -1.23 0.00 -1.26 -5.05 105.19 106.10 3hxe n GLY 186 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3hxe n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxe s SER 187 N -2.97 7.10 0.64 1.61 0.01 -0.40 -5.02 113.70 114.67 3hxe s SER 187 Ca 0.00 1.46 -0.17 0.00 1.31 0.00 0.00 55.95 58.55 3hxe s SER 187 Cb 0.00 -2.44 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 3hxe s SER 187 CO 0.00 0.04 1.20 -0.70 0.41 0.00 0.00 173.24 174.19 3hxe s GLU 188 N -1.92 2.70 0.30 12.44 2.12 -1.26 -3.73 118.70 129.34 3hxe s GLU 188 Ca 0.43 1.77 -0.29 0.00 0.36 0.00 0.00 54.97 57.24 3hxe s GLU 188 Cb -0.17 -1.90 -0.10 0.00 0.26 0.00 0.00 34.13 32.22 3hxe s GLU 188 CO 0.21 -1.40 1.16 -1.12 -0.54 0.00 0.00 175.26 173.57 3hxe s SER 189 N -1.82 7.12 0.00 -1.70 0.01 -1.26 -4.17 113.70 111.89 3hxe s SER 189 Ca 0.76 2.38 -0.21 0.00 1.31 0.00 0.00 55.95 60.19 3hxe s SER 189 Cb -0.29 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.35 3hxe s SER 189 CO 0.38 -0.26 0.48 -1.38 0.41 0.00 0.00 173.24 172.86 3hxe s HIS 190 N -1.17 -0.38 0.30 2.43 -3.43 -1.14 -4.91 115.29 106.99 3hxe s HIS 190 Ca 0.46 0.53 0.05 0.00 -0.80 0.00 0.00 55.06 55.30 3hxe s HIS 190 Cb -0.34 0.26 0.76 0.00 -1.43 0.00 0.00 32.58 31.83 3hxe s HIS 190 CO 0.44 -0.55 1.73 0.00 -2.00 0.00 0.00 174.74 174.37 3hxe h ALA 191 N 3.20 1.58 -0.55 -1.38 0.00 -1.20 -1.03 119.26 119.88 3hxe h ALA 191 Ca -0.30 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 3hxe h ALA 191 Cb 1.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3hxe h ALA 191 CO 0.41 -0.23 -0.11 0.78 0.00 0.00 0.00 179.25 180.10 3hxe h GLY 192 N 0.56 1.13 1.23 0.00 0.00 -1.90 -0.66 103.07 103.43 3hxe h GLY 192 Ca 0.58 -0.92 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 3hxe h GLY 192 CO -0.46 0.84 -0.24 -1.61 0.00 0.00 0.00 176.54 175.07 3hxe h GLN 193 N 0.92 0.87 -0.54 4.80 5.75 -1.62 -2.33 115.11 122.97 3hxe h GLN 193 Ca 0.14 -0.37 0.02 0.00 -0.15 0.00 0.00 58.65 58.29 3hxe h GLN 193 Cb 0.69 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 3hxe h GLN 193 CO 0.05 1.02 0.33 0.82 -2.65 0.00 0.00 178.83 178.40 3hxe h ILE 194 N 0.75 1.08 -0.41 2.39 2.04 -0.97 -0.26 117.51 122.13 3hxe h ILE 194 Ca 0.10 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.77 3hxe h ILE 194 Cb 0.79 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3hxe h ILE 194 CO 0.07 0.12 0.18 0.22 0.00 0.00 0.00 178.15 178.73 3hxe h TYR 195 N 0.66 0.32 -0.55 1.37 3.20 -0.96 0.19 116.97 121.22 3hxe h TYR 195 Ca 0.21 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3hxe h TYR 195 Cb -0.01 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3hxe h TYR 195 CO -0.06 0.15 0.27 0.00 -1.64 0.00 0.00 178.16 176.88 3hxe h THR 198 N 0.30 1.26 -0.43 0.00 1.35 -0.56 -0.13 112.91 114.71 3hxe h THR 198 Ca -0.02 -1.09 0.04 0.00 -0.55 0.00 0.00 66.41 64.78 3hxe h THR 198 Cb 1.17 0.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.32 3hxe h THR 198 CO 0.11 0.40 0.20 1.23 -0.25 0.00 0.00 175.52 177.21 3hxe h GLY 199 N 1.01 0.58 0.57 5.82 0.00 -0.58 0.63 103.07 111.10 3hxe h GLY 199 Ca 0.17 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.42 3hxe h GLY 199 CO 0.02 0.09 0.13 -2.75 0.00 0.00 0.00 176.54 174.03 3hxe h PHE 200 N 0.41 0.22 -0.13 5.60 3.04 -0.80 -2.00 116.94 123.28 3hxe h PHE 200 Ca 0.19 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.07 3hxe h PHE 200 Cb 0.11 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 3hxe h PHE 200 CO -0.11 0.07 -0.31 -0.07 -2.02 0.00 0.00 178.31 175.87 3hxe h LEU 201 N 0.28 0.24 -0.21 0.59 3.38 -0.53 -0.64 115.31 118.43 3hxe h LEU 201 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hxe h LEU 201 Cb 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hxe h LEU 201 CO -0.22 0.55 0.08 0.00 0.09 0.00 0.00 178.44 178.94 3hxe h ALA 202 N 1.47 0.27 -0.26 1.53 0.00 -0.60 0.15 119.26 121.82 3hxe h ALA 202 Ca 0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3hxe h ALA 202 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hxe h ALA 202 CO 0.05 -0.15 -0.19 0.82 0.00 0.00 0.00 179.25 179.78 3hxe h ILE 203 N 0.18 1.25 -0.37 0.00 2.04 -0.97 -2.50 117.51 117.14 3hxe h ILE 203 Ca 0.07 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3hxe h ILE 203 Cb 0.17 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3hxe h ILE 203 CO -0.01 0.36 0.00 0.35 0.00 0.00 0.00 178.15 178.86 3hxe n THR 204 N -4.16 0.49 -3.49 -0.27 -2.24 -0.28 -4.98 114.28 99.34 3hxe n THR 204 Ca 0.00 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 60.96 3hxe n THR 204 Cb 0.36 0.56 0.07 0.00 -2.10 0.00 0.00 70.33 69.23 3hxe n THR 204 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hxe n SER 205 N 0.97 -5.62 -0.44 3.42 7.64 -0.68 -4.95 113.62 113.97 3hxe n SER 205 Ca 0.18 -0.51 0.07 0.00 1.01 0.00 0.00 58.87 59.62 3hxe n SER 205 Cb 0.46 -4.70 0.19 0.00 -1.01 0.00 0.00 64.21 59.14 3hxe n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hxe n GLN 206 N -4.59 1.49 0.22 1.43 1.13 0.44 -4.78 117.38 112.73 3hxe n GLN 206 Ca -0.02 -3.08 0.16 0.00 -1.94 0.00 0.00 57.00 52.11 3hxe n GLN 206 Cb 0.57 -1.58 0.69 0.00 0.11 0.00 0.00 30.24 30.03 3hxe n GLN 206 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3hxe h LEU 207 N 0.69 0.00 -2.06 1.08 3.38 -1.92 -1.23 115.31 115.25 3hxe h LEU 207 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hxe h LEU 207 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hxe h LEU 207 CO 0.00 0.00 0.00 1.12 0.09 0.00 0.00 178.44 179.65 3hxe h HIS 208 N 0.00 0.00 -0.00 1.13 2.07 -1.93 -1.94 115.15 114.47 3hxe h HIS 208 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hxe h HIS 208 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3hxe h HIS 208 CO 0.00 0.00 -0.02 1.04 -3.07 0.00 0.00 177.93 175.88 3hxe n GLN 209 N -2.88 0.43 -3.37 5.12 6.02 -0.46 -4.81 117.38 117.42 3hxe n GLN 209 Ca -0.01 -0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.58 3hxe n GLN 209 Cb 0.16 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.86 3hxe n GLN 209 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hxe s VAL 210 N -2.59 4.87 -0.89 5.09 1.01 -0.73 -5.00 120.40 122.15 3hxe s VAL 210 Ca 0.28 0.95 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 3hxe s VAL 210 Cb 0.20 -3.78 0.09 0.00 0.00 0.00 0.00 36.38 32.88 3hxe s VAL 210 CO 0.47 0.44 1.20 0.21 0.00 0.00 0.00 175.10 177.43 3hxe s ASN 211 N -1.34 6.46 0.29 3.32 3.84 -1.26 -4.89 114.94 121.36 3hxe s ASN 211 Ca 0.31 -1.53 0.04 0.00 0.21 0.00 0.00 52.86 51.89 3hxe s ASN 211 Cb -0.17 -2.47 0.45 0.00 -0.55 0.00 0.00 41.25 38.52 3hxe s ASN 211 CO 0.18 -1.33 1.73 0.28 -2.79 0.00 0.00 177.10 175.17 3hxe h SER 212 N 9.36 0.40 -0.30 -4.21 0.02 -1.91 -0.04 113.55 116.87 3hxe h SER 212 Ca 0.05 -0.14 -0.15 0.00 -0.84 0.00 0.00 61.79 60.71 3hxe h SER 212 Cb 1.03 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3hxe h SER 212 CO 1.23 0.68 -0.39 0.44 -1.14 0.00 0.00 176.83 177.65 3hxe h ASP 213 N 0.35 0.86 -0.02 3.07 3.45 -1.93 0.14 116.42 122.34 3hxe h ASP 213 Ca 0.05 -0.50 -0.01 0.00 0.43 0.00 0.00 57.03 57.00 3hxe h ASP 213 Cb 0.68 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3hxe h ASP 213 CO 0.05 1.19 -0.02 0.25 -1.57 0.00 0.00 179.24 179.14 3hxe h LEU 214 N 0.55 0.05 -0.79 1.55 5.85 -1.87 -2.18 115.31 118.48 3hxe h LEU 214 Ca 0.04 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 3hxe h LEU 214 Cb 0.98 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3hxe h LEU 214 CO 0.09 0.54 0.01 0.25 -0.34 0.00 0.00 178.44 178.99 3hxe h LEU 215 N -0.44 0.89 -1.17 2.25 5.85 -1.07 -2.04 115.31 119.58 3hxe h LEU 215 Ca 0.00 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3hxe h LEU 215 Cb 0.52 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3hxe h LEU 215 CO 0.00 0.95 0.06 1.23 -0.34 0.00 0.00 178.44 180.34 3hxe h GLY 216 N 1.00 0.68 0.69 3.75 0.00 -1.00 -0.18 103.07 108.01 3hxe h GLY 216 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3hxe h GLY 216 CO 0.02 0.37 -0.07 -0.25 0.00 0.00 0.00 176.54 176.61 3hxe h TRP 217 N 0.61 0.28 -0.73 5.60 7.01 -1.06 -0.85 115.95 126.81 3hxe h TRP 217 Ca 0.13 -0.08 0.07 0.00 2.11 0.00 0.00 58.89 61.13 3hxe h TRP 217 Cb 0.30 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 3hxe h TRP 217 CO 0.01 0.61 0.41 2.35 -2.79 0.00 0.00 178.44 179.04 3hxe h TRP 218 N -0.13 0.75 -0.13 2.65 7.01 -0.86 -2.05 115.95 123.18 3hxe h TRP 218 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 3hxe h TRP 218 Cb 0.55 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3hxe h TRP 218 CO 0.07 0.34 0.05 -0.07 -2.79 0.00 0.00 178.44 176.04 3hxe h LEU 219 N 0.73 0.19 -1.72 0.65 3.38 -0.98 -3.07 115.31 114.48 3hxe h LEU 219 Ca 0.34 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3hxe h LEU 219 Cb 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3hxe h LEU 219 CO -0.21 0.33 -0.17 0.00 0.09 0.00 0.00 178.44 178.48 3hxe n GLU 221 N -4.05 0.18 0.16 0.00 -0.58 -0.79 -2.12 120.64 113.44 3hxe n GLU 221 Ca -0.02 0.17 0.13 0.00 -0.42 0.00 0.00 57.16 57.01 3hxe n GLU 221 Cb 0.25 -1.50 0.52 0.00 -0.57 0.00 0.00 31.44 30.14 3hxe n GLU 221 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hxe h ARG 222 N 0.00 0.00 -5.89 3.49 2.47 -1.23 -3.44 114.38 109.78 3hxe h ARG 222 Ca 0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.13 3hxe h ARG 222 Cb 0.14 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.39 3hxe h ARG 222 CO 0.00 0.00 0.47 -1.14 0.56 0.00 0.00 179.97 179.86 3hxe s GLN 223 N -3.36 4.24 0.50 0.04 0.74 -0.90 -1.47 119.66 119.44 3hxe s GLN 223 Ca 0.04 1.02 -0.00 0.00 0.05 0.00 0.00 55.36 56.47 3hxe s GLN 223 Cb 0.09 -3.61 0.01 0.00 1.10 0.00 0.00 33.01 30.60 3hxe s GLN 223 CO 0.44 -0.45 0.73 -0.51 -0.55 0.00 0.00 175.29 174.95 3hxe s LEU 224 N 2.58 3.49 0.47 3.68 1.43 -0.04 -4.95 118.68 125.35 3hxe s LEU 224 Ca 0.37 0.26 0.23 0.00 -1.03 0.00 0.00 54.13 53.96 3hxe s LEU 224 Cb -0.16 -3.12 1.26 0.00 0.03 0.00 0.00 46.19 44.20 3hxe s LEU 224 CO 0.09 -0.87 1.89 -0.65 0.23 0.00 0.00 176.35 177.04 3hxe h PRO 225 N 0.24 0.21 0.00 1.29 0.11 -1.95 0.43 132.00 132.32 3hxe h PRO 225 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hxe h PRO 225 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hxe h PRO 225 CO 0.56 0.14 0.00 0.66 -0.21 0.00 0.00 178.00 179.15 3hxe h SER 226 N 0.22 0.00 0.00 -2.05 4.64 -1.95 -3.46 113.55 110.95 3hxe h SER 226 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3hxe h SER 226 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3hxe h SER 226 CO -0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 3hxe n GLY 227 N -1.00 3.19 3.88 -0.77 0.00 0.15 -4.58 105.19 106.07 3hxe n GLY 227 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3hxe n GLY 227 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxe s GLY 228 N -2.94 1.63 -0.11 -0.02 0.00 -1.26 -3.65 107.32 100.98 3hxe s GLY 228 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 3hxe s GLY 228 CO 0.00 0.06 -0.01 1.08 0.00 0.00 0.00 173.10 174.24 3hxe s LEU 229 N -5.33 3.51 0.65 0.66 1.43 -1.26 -0.86 118.68 117.47 3hxe s LEU 229 Ca 0.58 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3hxe s LEU 229 Cb -0.11 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.39 3hxe s LEU 229 CO 0.52 0.31 0.89 0.54 0.23 0.00 0.00 176.35 178.85 3hxe s ASN 230 N -0.50 4.72 0.00 2.29 2.20 -0.54 -1.31 114.94 121.80 3hxe s ASN 230 Ca 0.09 -0.45 0.18 0.00 -0.94 0.00 0.00 52.86 51.74 3hxe s ASN 230 Cb -0.12 -0.07 -0.19 0.00 -2.00 0.00 0.00 41.25 38.87 3hxe s ASN 230 CO 0.02 -1.59 0.80 0.61 -2.94 0.00 0.00 177.10 174.00 3hxe n GLY 231 N -2.57 -0.70 3.59 0.45 0.00 -1.26 -4.83 105.19 99.87 3hxe n GLY 231 Ca 0.14 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 3hxe n GLY 231 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hxe s ARG 232 N -2.71 0.65 0.19 1.61 1.70 -1.26 -0.60 118.95 118.54 3hxe s ARG 232 Ca 0.08 -0.29 -0.32 0.00 -0.47 0.00 0.00 55.73 54.72 3hxe s ARG 232 Cb 0.14 0.27 -0.15 0.00 -0.57 0.00 0.00 34.95 34.64 3hxe s ARG 232 CO 0.74 -0.29 1.30 -2.30 -1.08 0.00 0.00 175.30 173.68 3hxe n PRO 233 N -0.27 1.59 -1.76 3.89 -0.02 -1.26 -2.97 135.00 134.20 3hxe n PRO 233 Ca -0.05 0.57 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 3hxe n PRO 233 Cb 0.61 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 3hxe n PRO 233 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hxe n GLU 234 N 2.03 -0.45 -4.31 -0.52 -0.58 -1.26 -5.03 120.64 110.52 3hxe n GLU 234 Ca 0.14 0.45 -0.24 0.00 -0.42 0.00 0.00 57.16 57.09 3hxe n GLU 234 Cb 0.27 -4.25 -0.08 0.00 -0.57 0.00 0.00 31.44 26.81 3hxe n GLU 234 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3hxe s LYS 235 N -3.62 2.13 0.59 3.49 -0.14 -1.16 -4.90 119.74 116.13 3hxe s LYS 235 Ca 0.00 -1.67 -0.18 0.00 -1.36 0.00 0.00 55.97 52.76 3hxe s LYS 235 Cb 0.00 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 3hxe s LYS 235 CO 0.00 0.18 1.13 -0.51 -0.76 0.00 0.00 175.35 175.38 3hxe s LEU 236 N -3.72 3.60 0.75 3.17 2.01 -1.26 -4.79 118.68 118.43 3hxe s LEU 236 Ca 0.34 2.12 -0.12 0.00 0.01 0.00 0.00 54.13 56.48 3hxe s LEU 236 Cb -0.02 -4.57 0.04 0.00 0.01 0.00 0.00 46.19 41.66 3hxe s LEU 236 CO 0.20 -1.41 1.10 -2.16 1.01 0.00 0.00 176.35 175.08 3hxe s PRO 237 N -3.61 2.38 -0.22 1.29 0.04 -1.26 -4.52 135.00 129.10 3hxe s PRO 237 Ca 0.71 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 3hxe s PRO 237 Cb -0.23 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.47 3hxe s PRO 237 CO 0.33 -1.56 0.53 0.34 0.04 0.00 0.00 177.00 176.69 3hxe s ASP 238 N -3.20 -0.69 0.55 6.66 -1.08 -0.43 -4.76 116.67 113.73 3hxe s ASP 238 Ca 0.63 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 54.06 3hxe s ASP 238 Cb -0.18 1.04 1.44 0.00 -1.46 0.00 0.00 42.92 43.76 3hxe s ASP 238 CO 0.53 -0.21 2.04 1.62 0.52 0.00 0.00 175.17 179.66 3hxe h VAL 239 N 5.20 0.69 0.00 1.11 3.04 -1.25 -1.10 116.25 123.95 3hxe h VAL 239 Ca -0.33 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3hxe h VAL 239 Cb 1.20 0.79 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3hxe h VAL 239 CO 0.23 0.00 -0.02 0.00 -1.01 0.00 0.00 177.57 176.77 3hxe h TYR 241 N 0.00 0.00 -0.69 0.00 0.05 -1.45 0.16 116.97 115.05 3hxe h TYR 241 Ca -0.00 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.98 3hxe h TYR 241 Cb 0.54 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 3hxe h TYR 241 CO 0.00 0.00 0.49 0.77 -1.05 0.00 0.00 178.16 178.37 3hxe h SER 242 N 0.00 0.02 0.00 3.88 0.02 -1.41 -0.21 113.55 115.86 3hxe h SER 242 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3hxe h SER 242 Cb 0.29 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3hxe h SER 242 CO 0.00 0.01 -0.67 1.87 -1.14 0.00 0.00 176.83 176.90 3hxe n TRP 243 N -4.34 0.96 -0.22 3.45 -0.00 0.00 -3.82 117.44 113.46 3hxe n TRP 243 Ca 0.14 0.42 -0.06 0.00 -0.00 0.00 0.00 57.50 57.99 3hxe n TRP 243 Cb 0.75 -0.84 0.04 0.00 -0.00 0.00 0.00 31.31 31.25 3hxe n TRP 243 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 177.69 176.20 3hxe h TRP 244 N -1.00 0.85 -0.01 5.87 4.06 -1.24 0.68 115.95 125.16 3hxe h TRP 244 Ca -0.07 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.84 3hxe h TRP 244 Cb 0.67 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 3hxe h TRP 244 CO -0.15 0.61 -0.05 0.28 -3.56 0.00 0.00 178.44 175.56 3hxe h VAL 245 N 0.85 1.51 -0.67 1.49 2.07 -1.29 -2.99 116.25 117.21 3hxe h VAL 245 Ca 0.22 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3hxe h VAL 245 Cb 0.03 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 3hxe h VAL 245 CO -0.04 0.42 0.13 -0.07 0.02 0.00 0.00 177.57 178.03 3hxe h LEU 246 N -0.57 1.05 -0.91 2.57 4.07 -1.53 -0.32 115.31 119.67 3hxe h LEU 246 Ca -0.00 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 57.63 3hxe h LEU 246 Cb 0.71 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 3hxe h LEU 246 CO 0.01 1.03 0.02 0.00 -1.08 0.00 0.00 178.44 178.42 3hxe h ALA 247 N 1.06 1.10 -0.13 1.53 0.00 -0.98 0.15 119.26 121.98 3hxe h ALA 247 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hxe h ALA 247 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3hxe h ALA 247 CO 0.01 0.58 0.02 0.77 0.00 0.00 0.00 179.25 180.63 3hxe h SER 248 N 0.77 0.21 -0.65 0.00 0.02 -1.34 0.06 113.55 112.61 3hxe h SER 248 Ca 0.15 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3hxe h SER 248 Cb 0.44 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3hxe h SER 248 CO 0.02 0.41 0.40 -0.07 -1.14 0.00 0.00 176.83 176.44 3hxe h LEU 249 N 0.00 0.64 -0.37 5.07 3.38 -0.76 -2.14 115.31 121.14 3hxe h LEU 249 Ca 0.04 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hxe h LEU 249 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hxe h LEU 249 CO 0.00 0.44 0.23 0.50 0.09 0.00 0.00 178.44 179.70 3hxe h LYS 250 N 0.77 0.49 -0.82 1.13 1.63 -0.53 0.15 116.57 119.40 3hxe h LYS 250 Ca 0.27 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 60.10 3hxe h LYS 250 Cb 0.05 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.52 3hxe h LYS 250 CO -0.12 0.36 0.53 0.82 -3.45 0.00 0.00 179.45 177.60 3hxe h ILE 251 N 0.48 1.01 -0.56 2.00 2.04 -0.62 -2.33 117.51 119.53 3hxe h ILE 251 Ca 0.13 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hxe h ILE 251 Cb -0.01 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3hxe h ILE 251 CO -0.03 0.15 0.00 2.30 0.00 0.00 0.00 178.15 180.58 3hxe n ILE 252 N -4.50 1.34 -2.00 -0.67 -5.35 -0.84 -0.60 119.36 106.75 3hxe n ILE 252 Ca 0.13 -0.93 -0.13 0.00 -0.27 0.00 0.00 62.75 61.54 3hxe n ILE 252 Cb 0.25 0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 38.27 3hxe n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hxe n GLY 253 N 1.11 0.28 0.34 3.28 0.00 -0.86 -4.55 105.19 104.79 3hxe n GLY 253 Ca 0.21 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3hxe n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxe n ARG 254 N -2.36 0.92 0.08 1.61 5.12 0.48 -4.67 116.66 117.84 3hxe n ARG 254 Ca -0.15 -2.25 0.17 0.00 -1.93 0.00 0.00 57.85 53.69 3hxe n ARG 254 Cb 0.56 -1.17 0.70 0.00 -1.16 0.00 0.00 32.46 31.39 3hxe n ARG 254 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hxe h LEU 255 N 0.20 0.00 0.00 0.55 5.85 -1.85 -0.75 115.31 119.30 3hxe h LEU 255 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hxe h LEU 255 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3hxe h LEU 255 CO 0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 3hxe n HIS 256 N -4.34 0.00 0.80 1.25 1.44 -1.26 -2.77 115.22 110.34 3hxe n HIS 256 Ca 0.06 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.89 3hxe n HIS 256 Cb 0.46 -0.26 0.51 0.00 0.12 0.00 0.00 29.99 30.82 3hxe n HIS 256 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 3hxe n TRP 257 N -1.26 0.12 -3.84 -1.40 7.02 -0.29 -4.78 117.44 113.01 3hxe n TRP 257 Ca 0.08 0.04 -0.22 0.00 -1.02 0.00 0.00 57.50 56.39 3hxe n TRP 257 Cb 0.13 -0.56 -0.02 0.00 -2.42 0.00 0.00 31.31 28.44 3hxe n TRP 257 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 3hxe s ILE 258 N -3.02 5.23 -0.65 -0.99 -5.25 -1.12 -4.85 121.20 110.55 3hxe s ILE 258 Ca 0.11 -0.86 -0.26 0.00 -0.99 0.00 0.00 60.65 58.65 3hxe s ILE 258 Cb 0.15 -3.85 0.04 0.00 2.95 0.00 0.00 42.46 41.75 3hxe s ILE 258 CO 0.46 -0.37 1.13 -0.62 -1.79 0.00 0.00 174.94 173.75 3hxe s ASP 259 N -3.96 6.27 0.23 4.36 -1.08 -1.26 -4.89 116.67 116.34 3hxe s ASP 259 Ca 0.35 -0.40 -0.08 0.00 -0.52 0.00 0.00 52.55 51.90 3hxe s ASP 259 Cb -0.09 -2.51 0.22 0.00 -1.46 0.00 0.00 42.92 39.08 3hxe s ASP 259 CO 0.30 -1.55 1.89 -0.09 0.52 0.00 0.00 175.17 176.24 3hxe h ARG 260 N 9.67 1.06 -0.14 4.34 2.43 -1.93 -2.17 114.38 127.65 3hxe h ARG 260 Ca -0.27 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 58.62 3hxe h ARG 260 Cb 1.06 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3hxe h ARG 260 CO 1.20 0.70 -0.79 0.93 -1.51 0.00 0.00 179.97 180.50 3hxe h GLU 261 N 1.09 0.73 -0.70 0.20 4.39 -1.99 -0.14 114.58 118.16 3hxe h GLU 261 Ca 0.32 -0.61 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 3hxe h GLU 261 Cb -0.07 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3hxe h GLU 261 CO -0.09 1.22 0.18 0.87 -1.16 0.00 0.00 179.01 180.03 3hxe h LYS 262 N 0.50 1.11 -0.41 2.33 1.57 -1.89 -2.15 116.57 117.62 3hxe h LYS 262 Ca -0.05 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 3hxe h LYS 262 Cb 1.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 3hxe h LYS 262 CO 0.16 0.97 -0.02 1.25 -0.57 0.00 0.00 179.45 181.24 3hxe h LEU 263 N 1.06 0.73 -1.07 2.94 5.85 -1.26 -2.06 115.31 121.50 3hxe h LEU 263 Ca 0.22 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3hxe h LEU 263 Cb 0.35 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3hxe h LEU 263 CO -0.00 0.87 0.58 -0.09 -0.34 0.00 0.00 178.44 179.46 3hxe h ARG 264 N 0.57 1.21 -0.33 1.25 2.43 -0.81 -0.33 114.38 118.37 3hxe h ARG 264 Ca 0.11 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 3hxe h ARG 264 Cb 0.51 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hxe h ARG 264 CO 0.02 0.82 -0.24 0.77 -1.51 0.00 0.00 179.97 179.84 3hxe h SER 265 N 1.24 0.65 -0.21 -3.80 0.02 -1.29 -0.95 113.55 109.21 3hxe h SER 265 Ca 0.33 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3hxe h SER 265 Cb -0.11 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 3hxe h SER 265 CO -0.07 0.88 -0.01 0.15 -1.14 0.00 0.00 176.83 176.64 3hxe h PHE 266 N 0.56 0.41 -0.23 3.45 3.57 -0.61 -2.07 116.94 122.02 3hxe h PHE 266 Ca 0.08 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hxe h PHE 266 Cb 0.71 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3hxe h PHE 266 CO 0.03 0.58 0.14 0.82 -2.23 0.00 0.00 178.31 177.65 3hxe h ILE 267 N 0.12 1.08 -0.72 1.41 2.04 -0.82 -2.29 117.51 118.33 3hxe h ILE 267 Ca 0.06 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3hxe h ILE 267 Cb 0.42 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3hxe h ILE 267 CO 0.01 0.08 0.48 -0.07 0.00 0.00 0.00 178.15 178.65 3hxe h LEU 268 N 0.30 0.80 -1.15 1.44 3.38 -1.21 -2.00 115.31 116.86 3hxe h LEU 268 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hxe h LEU 268 Cb -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hxe h LEU 268 CO -0.02 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3hxe h ALA 269 N 1.56 1.00 0.00 1.53 0.00 -0.80 -2.58 119.26 119.98 3hxe h ALA 269 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hxe h ALA 269 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hxe h ALA 269 CO -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 3hxe s GLN 271 N -3.08 3.31 -0.41 0.00 -0.21 -0.97 -1.45 119.66 116.85 3hxe s GLN 271 Ca 0.11 2.21 -0.17 0.00 0.02 0.00 0.00 55.36 57.53 3hxe s GLN 271 Cb 0.14 -2.35 0.02 0.00 1.00 0.00 0.00 33.01 31.82 3hxe s GLN 271 CO 0.61 -1.04 0.41 0.34 -2.12 0.00 0.00 175.29 173.49 3hxe s ASP 272 N -0.92 6.18 0.49 5.90 3.68 -0.29 -4.78 116.67 126.93 3hxe s ASP 272 Ca 0.69 -0.65 0.25 0.00 2.13 0.00 0.00 52.55 54.97 3hxe s ASP 272 Cb -0.40 -2.21 1.27 0.00 -1.45 0.00 0.00 42.92 40.13 3hxe s ASP 272 CO 0.48 -0.54 2.00 -0.33 0.13 0.00 0.00 175.17 176.91 3hxe h GLU 273 N 8.69 0.00 0.00 4.34 5.08 -1.90 0.91 114.58 131.69 3hxe h GLU 273 Ca -0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3hxe h GLU 273 Cb 1.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hxe h GLU 273 CO 0.78 0.17 -0.12 0.93 -1.00 0.00 0.00 179.01 179.76 3hxe h GLU 274 N 0.00 0.00 0.00 2.33 5.08 -1.99 -3.41 114.58 116.60 3hxe h GLU 274 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hxe h GLU 274 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hxe h GLU 274 CO 0.02 0.05 -0.51 1.79 -1.00 0.00 0.00 179.01 179.37 3hxe h THR 275 N -1.00 0.00 -1.07 1.13 1.35 -1.97 -3.51 112.91 107.84 3hxe h THR 275 Ca -0.00 -0.87 0.13 0.00 -0.55 0.00 0.00 66.41 65.12 3hxe h THR 275 Cb 0.16 1.59 -0.04 0.00 -1.73 0.00 0.00 68.15 68.14 3hxe h THR 275 CO -0.00 0.00 -0.22 0.61 -0.25 0.00 0.00 175.52 175.66 3hxe n GLY 276 N 1.19 -1.74 0.00 5.82 0.00 0.31 -4.55 105.19 106.22 3hxe n GLY 276 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3hxe n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxe n GLY 277 N -2.46 -0.84 3.57 -0.02 0.00 -1.26 -4.46 105.19 99.72 3hxe n GLY 277 Ca -0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 3hxe n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxe s PHE 278 N -3.04 2.71 0.34 1.61 0.40 -1.26 -1.13 117.98 117.60 3hxe s PHE 278 Ca 0.00 -0.18 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 3hxe s PHE 278 Cb 0.00 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 3hxe s PHE 278 CO 0.00 0.44 0.23 0.00 0.70 0.00 0.00 175.22 176.58 3hxe s ALA 279 N -1.28 3.69 0.26 5.36 0.00 -0.53 -2.25 121.76 127.01 3hxe s ALA 279 Ca 0.22 -1.75 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3hxe s ALA 279 Cb -0.11 -0.95 0.49 0.00 0.00 0.00 0.00 23.12 22.56 3hxe s ALA 279 CO 0.14 0.00 1.80 0.38 0.00 0.00 0.00 175.76 178.08 3hxe h ASP 280 N 1.37 0.68 -5.05 0.00 -0.00 -1.88 -3.42 116.42 108.13 3hxe h ASP 280 Ca -0.44 0.07 -0.16 0.00 -0.00 0.00 0.00 57.03 56.50 3hxe h ASP 280 Cb 1.25 -0.06 -0.19 0.00 -0.00 0.00 0.00 39.33 40.34 3hxe h ASP 280 CO 0.61 0.34 -0.69 -0.13 -0.00 0.00 0.00 179.24 179.36 3hxe s ARG 281 N -5.99 0.44 0.26 4.15 0.52 -1.26 -0.86 118.95 116.21 3hxe s ARG 281 Ca -0.12 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 3hxe s ARG 281 Cb 0.21 0.11 -0.14 0.00 0.52 0.00 0.00 34.95 35.65 3hxe s ARG 281 CO 0.79 -0.06 1.13 -2.30 0.02 0.00 0.00 175.30 174.88 3hxe n PRO 282 N 1.02 1.49 0.00 3.54 -0.02 -1.26 -1.47 135.00 138.29 3hxe n PRO 282 Ca -0.20 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3hxe n PRO 282 Cb 0.57 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3hxe n PRO 282 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hxe n GLY 283 N 1.52 2.80 3.93 -1.23 0.00 -1.26 -5.02 105.19 105.93 3hxe n GLY 283 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3hxe n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hxe s ASP 284 N -2.37 3.88 0.17 1.61 -0.00 -0.54 -5.02 116.67 114.40 3hxe s ASP 284 Ca 0.00 0.40 -0.30 0.00 -0.00 0.00 0.00 52.55 52.64 3hxe s ASP 284 Cb 0.00 -0.69 -0.08 0.00 -0.00 0.00 0.00 42.92 42.15 3hxe s ASP 284 CO 0.00 -2.25 1.29 -0.32 -0.00 0.00 0.00 175.17 173.90 3hxe s MET 285 N -5.64 4.40 0.76 8.23 -2.45 -1.26 -4.66 119.30 118.68 3hxe s MET 285 Ca 0.68 2.01 -0.12 0.00 -1.25 0.00 0.00 55.69 57.01 3hxe s MET 285 Cb -0.07 -3.22 0.05 0.00 1.25 0.00 0.00 34.83 32.83 3hxe s MET 285 CO 0.50 -0.25 1.13 0.14 1.05 0.00 0.00 175.02 177.58 3hxe s VAL 286 N 0.29 2.89 0.18 10.11 -7.23 -1.26 -4.53 120.40 120.85 3hxe s VAL 286 Ca 0.57 0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 60.81 3hxe s VAL 286 Cb -0.35 -3.26 0.06 0.00 0.56 0.00 0.00 36.38 33.39 3hxe s VAL 286 CO 0.36 -0.38 0.61 1.51 -0.31 0.00 0.00 175.10 176.90 3hxe s ASP 287 N -4.39 -0.48 0.44 4.85 1.47 -0.96 -4.93 116.67 112.67 3hxe s ASP 287 Ca 0.60 -0.15 0.19 0.00 1.18 0.00 0.00 52.55 54.37 3hxe s ASP 287 Cb -0.11 0.62 1.01 0.00 -0.34 0.00 0.00 42.92 44.09 3hxe s ASP 287 CO 0.51 -1.04 1.92 -0.65 0.68 0.00 0.00 175.17 176.59 3hxe h PRO 288 N 2.02 0.00 0.49 2.11 0.11 -1.98 -1.45 132.00 133.30 3hxe h PRO 288 Ca -0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 3hxe h PRO 288 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3hxe h PRO 288 CO 0.35 0.26 -0.24 0.35 -0.21 0.00 0.00 178.00 178.51 3hxe h PHE 289 N 0.00 -0.61 0.00 0.65 3.04 -1.94 -1.20 116.94 116.87 3hxe h PHE 289 Ca -0.00 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 3hxe h PHE 289 Cb 0.54 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 3hxe h PHE 289 CO 0.00 -0.30 -0.23 0.45 -2.02 0.00 0.00 178.31 176.21 3hxe h HIS 290 N -0.87 0.00 -0.11 0.41 3.86 -1.77 -2.48 115.15 114.20 3hxe h HIS 290 Ca -0.07 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3hxe h HIS 290 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 3hxe h HIS 290 CO -0.00 0.23 -0.00 1.15 0.86 0.00 0.00 177.93 180.16 3hxe h THR 291 N 0.00 1.26 0.02 2.45 2.02 -1.10 -1.60 112.91 115.95 3hxe h THR 291 Ca -0.00 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.38 3hxe h THR 291 Cb 0.60 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 3hxe h THR 291 CO 0.03 0.23 -0.19 0.25 0.37 0.00 0.00 175.52 176.21 3hxe h LEU 292 N -0.09 -0.55 -0.95 2.58 5.85 -0.89 -2.22 115.31 119.03 3hxe h LEU 292 Ca 0.03 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 3hxe h LEU 292 Cb 0.36 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3hxe h LEU 292 CO 0.01 -0.26 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.07 3hxe h PHE 293 N -0.32 0.00 -0.12 1.25 0.04 -1.40 0.23 116.94 116.61 3hxe h PHE 293 Ca 0.05 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 3hxe h PHE 293 Cb 0.38 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3hxe h PHE 293 CO -0.23 0.52 0.06 0.78 -0.60 0.00 0.00 178.31 178.84 3hxe h GLY 294 N 1.62 0.19 0.91 -1.45 0.00 -1.26 0.14 103.07 103.23 3hxe h GLY 294 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3hxe h GLY 294 CO 0.07 0.09 -0.23 -2.22 0.00 0.00 0.00 176.54 174.25 3hxe h ILE 295 N 0.07 1.31 -0.87 2.60 1.08 -0.99 -1.87 117.51 118.84 3hxe h ILE 295 Ca 0.04 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.10 3hxe h ILE 295 Cb 0.13 1.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 3hxe h ILE 295 CO -0.01 0.44 0.45 0.00 -0.69 0.00 0.00 178.15 178.35 3hxe h ALA 296 N 0.69 1.16 -0.33 1.87 0.00 -0.57 -1.63 119.26 120.45 3hxe h ALA 296 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hxe h ALA 296 Cb 0.79 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hxe h ALA 296 CO 0.06 0.66 0.21 0.78 0.00 0.00 0.00 179.25 180.95 3hxe h GLY 297 N 1.23 0.46 0.83 0.00 0.00 -0.61 -1.67 103.07 103.30 3hxe h GLY 297 Ca 0.30 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3hxe h GLY 297 CO -0.04 0.15 0.60 1.41 0.00 0.00 0.00 176.54 178.65 3hxe h LEU 298 N 0.42 0.98 -0.25 3.11 3.38 -1.23 -1.69 115.31 120.03 3hxe h LEU 298 Ca 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hxe h LEU 298 Cb -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hxe h LEU 298 CO -0.05 0.66 0.11 -1.28 0.09 0.00 0.00 178.44 177.97 3hxe h SER 299 N 1.14 0.34 -0.70 -0.43 0.87 -1.03 -2.10 113.55 111.64 3hxe h SER 299 Ca 0.38 -0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 3hxe h SER 299 Cb 0.06 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 3hxe h SER 299 CO -0.14 0.39 0.46 -0.07 -0.53 0.00 0.00 176.83 176.95 3hxe h LEU 300 N 0.27 0.57 0.00 2.23 3.38 -1.00 -1.54 115.31 119.21 3hxe h LEU 300 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hxe h LEU 300 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hxe h LEU 300 CO -0.01 0.35 0.00 0.18 0.09 0.00 0.00 178.44 179.05 3hxe n LEU 301 N -4.49 0.00 -0.25 1.67 4.77 -0.66 -4.91 117.00 113.13 3hxe n LEU 301 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3hxe n LEU 301 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3hxe n LEU 301 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hxe n GLY 302 N 0.63 0.95 3.65 -0.72 0.00 -0.58 -5.04 105.19 104.08 3hxe n GLY 302 Ca 0.19 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3hxe n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hxe s GLU 303 N -3.32 4.12 0.49 1.61 2.56 -0.90 -4.93 118.70 118.33 3hxe s GLU 303 Ca 0.00 1.48 0.27 0.00 0.00 0.00 0.00 54.97 56.72 3hxe s GLU 303 Cb 0.00 -3.80 1.26 0.00 2.00 0.00 0.00 34.13 33.59 3hxe s GLU 303 CO 0.00 -0.85 1.97 1.05 -0.56 0.00 0.00 175.26 176.87 3hxe h GLU 304 N 8.54 0.00 -0.01 4.30 4.11 -1.96 -2.42 114.58 127.15 3hxe h GLU 304 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 3hxe h GLU 304 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hxe h GLU 304 CO 0.99 0.16 0.00 1.04 0.07 0.00 0.00 179.01 181.27 3hxe n GLN 305 N -3.49 1.23 -5.00 1.06 6.02 -1.26 -4.83 117.38 111.11 3hxe n GLN 305 Ca -0.01 -0.33 -0.32 0.00 -0.01 0.00 0.00 57.00 56.33 3hxe n GLN 305 Cb 0.32 -1.48 -0.15 0.00 1.02 0.00 0.00 30.24 29.95 3hxe n GLN 305 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hxe s ILE 306 N -2.00 2.68 0.49 5.09 1.01 -0.91 -4.83 121.20 122.74 3hxe s ILE 306 Ca 0.44 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 3hxe s ILE 306 Cb 0.21 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.56 3hxe s ILE 306 CO 0.35 0.57 1.37 0.29 0.00 0.00 0.00 174.94 177.51 3hxe n LYS 307 N 2.88 1.95 -1.75 2.79 5.02 0.29 -4.85 118.16 124.49 3hxe n LYS 307 Ca -0.18 0.70 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 3hxe n LYS 307 Cb 0.52 -2.56 -0.01 0.00 -0.02 0.00 0.00 35.03 32.96 3hxe n LYS 307 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hxe n PRO 308 N -0.50 2.67 -4.86 1.97 -0.02 -1.26 -4.87 135.00 128.13 3hxe n PRO 308 Ca 0.08 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.18 3hxe n PRO 308 Cb 0.43 -2.72 -0.13 0.00 -0.02 0.00 0.00 33.50 31.05 3hxe n PRO 308 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hxe s VAL 309 N -0.18 3.05 -0.01 -1.45 0.11 -1.26 -0.56 120.40 120.10 3hxe s VAL 309 Ca 0.62 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 3hxe s VAL 309 Cb -0.50 -2.22 -0.07 0.00 -1.53 0.00 0.00 36.38 32.06 3hxe s VAL 309 CO 0.51 0.57 1.75 -0.55 -3.33 0.00 0.00 175.10 174.05 3hxe s SER 310 N -0.40 6.59 0.55 3.54 0.15 0.27 -4.73 113.70 119.68 3hxe s SER 310 Ca 0.05 2.40 0.32 0.00 0.70 0.00 0.00 55.95 59.42 3hxe s SER 310 Cb -0.12 -2.54 1.56 0.00 -1.71 0.00 0.00 66.02 63.21 3hxe s SER 310 CO 0.02 -0.96 2.08 1.55 1.20 0.00 0.00 173.24 177.13 3hxe h PRO 311 N 9.66 0.00 0.04 5.44 0.13 -1.91 -0.10 132.00 145.25 3hxe h PRO 311 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 3hxe h PRO 311 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hxe h PRO 311 CO 0.95 0.07 -0.43 0.28 -0.23 0.00 0.00 178.00 178.64 3hxe h VAL 312 N 0.00 1.58 -0.01 1.56 2.07 -1.91 -3.41 116.25 116.13 3hxe h VAL 312 Ca -0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3hxe h VAL 312 Cb 0.38 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3hxe h VAL 312 CO 0.01 0.60 -0.34 0.49 0.02 0.00 0.00 177.57 178.35 3hxe n PHE 313 N -4.44 0.00 -3.91 1.57 3.01 -1.22 -4.95 117.46 107.52 3hxe n PHE 313 Ca -0.15 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.98 3hxe n PHE 313 Cb 0.61 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.09 3hxe n PHE 313 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hxe s MET 315 N -6.64 0.76 0.06 0.00 -1.94 -1.26 -4.97 119.30 105.31 3hxe s MET 315 Ca 0.31 -1.16 -0.36 0.00 -1.71 0.00 0.00 55.69 52.77 3hxe s MET 315 Cb -0.14 0.27 -0.16 0.00 2.01 0.00 0.00 34.83 36.82 3hxe s MET 315 CO 0.91 -0.20 1.48 -2.30 -0.01 0.00 0.00 175.02 174.90 3hxe n PRO 316 N 0.01 1.48 -0.31 2.03 -0.02 -1.26 -0.57 135.00 136.36 3hxe n PRO 316 Ca -0.13 0.53 0.25 0.00 -2.02 0.00 0.00 63.50 62.14 3hxe n PRO 316 Cb 0.62 -2.23 0.57 0.00 -0.02 0.00 0.00 33.50 32.44 3hxe n PRO 316 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hxe h GLU 317 N 5.47 0.29 0.00 -0.52 4.39 -1.12 -0.77 114.58 122.32 3hxe h GLU 317 Ca -0.47 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3hxe h GLU 317 Cb 1.31 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3hxe h GLU 317 CO 0.84 0.19 -0.16 1.05 -1.16 0.00 0.00 179.01 179.76 3hxe h GLU 318 N 0.30 0.00 -0.31 2.33 4.11 -1.89 0.61 114.58 119.72 3hxe h GLU 318 Ca 0.57 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.97 3hxe h GLU 318 Cb 1.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 3hxe h GLU 318 CO -0.22 0.16 0.06 0.28 0.07 0.00 0.00 179.01 179.36 3hxe h VAL 319 N 0.00 1.23 -0.25 -1.06 2.07 -1.50 -2.26 116.25 114.49 3hxe h VAL 319 Ca -0.00 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 3hxe h VAL 319 Cb 0.29 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3hxe h VAL 319 CO 0.02 0.26 -0.42 -0.07 0.02 0.00 0.00 177.57 177.38 3hxe h LEU 320 N 0.34 0.64 -0.32 2.57 3.38 -1.22 -2.53 115.31 118.17 3hxe h LEU 320 Ca 0.10 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3hxe h LEU 320 Cb 0.33 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3hxe h LEU 320 CO 0.00 0.98 -0.12 -0.61 0.09 0.00 0.00 178.44 178.79 3hxe h GLN 321 N 0.49 -0.05 -1.00 1.13 4.15 -0.94 0.91 115.11 119.80 3hxe h GLN 321 Ca 0.04 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.59 3hxe h GLN 321 Cb 0.94 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.55 3hxe h GLN 321 CO 0.08 -0.04 0.63 -0.09 -1.93 0.00 0.00 178.83 177.49 3hxe h ARG 322 N -0.06 0.95 -0.01 1.69 2.43 -1.00 -2.17 114.38 116.21 3hxe h ARG 322 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3hxe h ARG 322 Cb 0.30 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hxe h ARG 322 CO -0.36 0.63 -0.25 1.33 -1.51 0.00 0.00 179.97 179.80 3hxe n VAL 323 N -4.62 0.00 -3.18 0.20 0.24 -1.00 -4.97 118.33 105.00 3hxe n VAL 323 Ca 0.19 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 3hxe n VAL 323 Cb 0.37 0.85 0.06 0.00 -1.47 0.00 0.00 33.84 33.65 3hxe n VAL 323 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3hxe n ASN 324 N -0.03 -3.91 -3.78 -1.34 4.05 0.26 -5.00 115.26 105.51 3hxe n ASN 324 Ca 0.13 -0.41 -0.30 0.00 0.45 0.00 0.00 54.58 54.45 3hxe n ASN 324 Cb 0.42 -3.78 -0.14 0.00 1.23 0.00 0.00 39.78 37.51 3hxe n ASN 324 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3hxe s VAL 325 N -3.24 1.34 -0.34 3.44 -7.23 -0.85 -5.03 120.40 108.49 3hxe s VAL 325 Ca 0.25 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.43 3hxe s VAL 325 Cb -0.11 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 34.98 3hxe s VAL 325 CO 0.52 -0.73 0.19 -1.10 -0.31 0.00 0.00 175.10 173.67 3hxe s GLN 326 N 1.05 0.49 0.40 4.82 -0.21 -1.26 -4.71 119.66 120.23 3hxe s GLN 326 Ca 0.13 -1.14 -0.27 0.00 0.02 0.00 0.00 55.36 54.09 3hxe s GLN 326 Cb -0.20 -1.34 -0.10 0.00 1.00 0.00 0.00 33.01 32.37 3hxe s GLN 326 CO -0.14 -1.15 1.49 -2.30 -2.12 0.00 0.00 175.29 171.07 3hxe n PRO 327 N 4.36 2.60 -2.20 2.91 -0.02 -1.26 -4.97 135.00 136.43 3hxe n PRO 327 Ca 0.07 0.91 -0.41 0.00 -2.02 0.00 0.00 63.50 62.05 3hxe n PRO 327 Cb 0.38 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.16 3hxe n PRO 327 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hxe s GLU 328 N -2.20 4.39 0.58 -0.52 2.02 -1.26 -5.04 118.70 116.67 3hxe s GLU 328 Ca 0.55 2.09 0.09 0.00 0.02 0.00 0.00 54.97 57.72 3hxe s GLU 328 Cb -0.46 -3.16 0.09 0.00 0.10 0.00 0.00 34.13 30.70 3hxe s GLU 328 CO 0.62 -0.21 0.75 1.28 0.02 0.00 0.00 175.26 177.72 3hxe n LEU 329 N 2.06 0.00 -0.03 1.80 4.77 -1.26 -4.88 117.00 119.46 3hxe n LEU 329 Ca 0.04 -2.60 -0.13 0.00 -0.03 0.00 0.00 56.01 53.29 3hxe n LEU 329 Cb 0.42 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 3hxe n LEU 329 CO 0.58 -0.69 0.58 0.58 -1.33 0.00 0.00 177.39 177.10 3hxe h VAL 330 N 0.19 1.44 0.00 4.08 2.07 -1.11 -3.49 116.25 119.44 3hxe h VAL 330 Ca -0.29 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3hxe h VAL 330 Cb 1.27 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 3hxe h VAL 330 CO 0.42 0.37 0.00 -1.54 0.02 0.00 0.00 177.57 176.84