#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fx6 s PHE 2004N 0.00 3.10 -0.12 5.58 2.19 -1.25 -4.78 117.98 122.70 1fx6 s PHE 2004Ca 0.00 1.14 -0.08 0.00 0.33 0.00 0.00 56.93 58.33 1fx6 s PHE 2004Cb 0.00 -3.73 -0.04 0.00 -1.31 0.00 0.00 43.02 37.94 1fx6 s PHE 2004CO 0.00 -2.29 0.16 -1.17 1.83 0.00 0.00 175.22 173.74 1fx6 s LEU 2005N -0.49 4.37 -0.33 6.12 2.96 -0.62 -0.61 118.68 130.09 1fx6 s LEU 2005Ca 0.57 0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1fx6 s LEU 2005Cb -0.40 -2.11 0.11 0.00 0.50 0.00 0.00 46.19 44.29 1fx6 s LEU 2005CO 0.43 0.37 0.13 -0.69 -1.32 0.00 0.00 176.35 175.27 1fx6 s VAL 2006N -0.85 0.73 -0.29 1.68 1.01 -0.09 -1.09 120.40 121.49 1fx6 s VAL 2006Ca 0.15 -1.47 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1fx6 s VAL 2006Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1fx6 s VAL 2006CO 0.04 -0.74 0.51 -0.63 0.00 0.00 0.00 175.10 174.28 1fx6 s ILE 2007N 1.49 5.05 0.12 2.22 1.01 -0.56 -2.06 121.20 128.48 1fx6 s ILE 2007Ca 0.11 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.39 1fx6 s ILE 2007Cb -0.18 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1fx6 s ILE 2007CO -0.22 -0.02 0.10 0.00 0.00 0.00 0.00 174.94 174.80 1fx6 s ALA 2008N 2.33 0.53 0.00 9.38 0.00 -0.43 -1.12 121.76 132.45 1fx6 s ALA 2008Ca 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1fx6 s ALA 2008Cb -0.15 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1fx6 s ALA 2008CO 0.11 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1fx6 n GLY 2009N -0.09 1.48 3.79 0.00 0.00 -1.10 -0.25 105.19 109.03 1fx6 n GLY 2009Ca -0.08 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 1fx6 n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fx6 s PRO 2010N -1.84 3.96 0.07 1.61 0.04 -0.90 -0.17 135.00 137.76 1fx6 s PRO 2010Ca 0.00 1.47 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 1fx6 s PRO 2010Cb 0.00 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1fx6 s PRO 2010CO 0.00 -0.31 1.32 0.00 0.04 0.00 0.00 177.00 178.05 1fx6 s ALA 2012N -4.81 3.03 -1.27 0.00 0.00 -1.26 -1.82 121.76 115.64 1fx6 s ALA 2012Ca -0.09 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 1fx6 s ALA 2012Cb 0.04 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1fx6 s ALA 2012CO 0.35 0.39 1.70 0.42 0.00 0.00 0.00 175.76 178.62 1fx6 s ILE 2013N -1.96 4.13 0.46 0.00 1.01 -0.51 -4.75 121.20 119.57 1fx6 s ILE 2013Ca 0.28 -1.82 0.29 0.00 0.00 0.00 0.00 60.65 59.40 1fx6 s ILE 2013Cb -0.08 -5.17 0.32 0.00 0.01 0.00 0.00 42.46 37.54 1fx6 s ILE 2013CO 0.17 -2.01 2.13 -0.33 0.00 0.00 0.00 174.94 174.91 1fx6 h GLU 2014N 7.79 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 124.87 1fx6 h GLU 2014Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1fx6 h GLU 2014Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1fx6 h GLU 2014CO 1.45 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 178.41 1fx6 n SER 2015N -3.63 0.00 0.19 1.42 3.41 -1.26 -5.00 113.62 108.76 1fx6 n SER 2015Ca -0.02 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 1fx6 n SER 2015Cb 0.19 0.00 0.66 0.00 -0.26 0.00 0.00 64.21 64.80 1fx6 n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fx6 h GLU 2016N 0.00 0.00 0.08 4.33 4.11 -1.92 -1.99 114.58 119.19 1fx6 h GLU 2016Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fx6 h GLU 2016Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fx6 h GLU 2016CO 0.00 0.00 -0.04 1.49 0.07 0.00 0.00 179.01 180.53 1fx6 h GLU 2017N 0.00 -0.11 -0.81 1.06 4.81 -1.99 -2.39 114.58 115.16 1fx6 h GLU 2017Ca 0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1fx6 h GLU 2017Cb 0.21 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1fx6 h GLU 2017CO 0.00 0.18 0.48 1.25 -0.73 0.00 0.00 179.01 180.20 1fx6 h LEU 2018N -0.40 0.74 -1.39 1.64 5.85 -1.75 -1.76 115.31 118.24 1fx6 h LEU 2018Ca -0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1fx6 h LEU 2018Cb 0.34 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1fx6 h LEU 2018CO 0.02 0.47 0.03 -0.07 -0.34 0.00 0.00 178.44 178.54 1fx6 h LEU 2019N 0.87 0.40 -0.33 2.25 3.38 -1.42 -1.93 115.31 118.54 1fx6 h LEU 2019Ca 0.36 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 1fx6 h LEU 2019Cb 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1fx6 h LEU 2019CO -0.19 0.44 -0.56 -0.07 0.09 0.00 0.00 178.44 178.15 1fx6 h LEU 2020N 0.42 0.92 -0.27 1.67 3.38 -0.80 0.32 115.31 120.95 1fx6 h LEU 2020Ca 0.10 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1fx6 h LEU 2020Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fx6 h LEU 2020CO 0.00 1.29 0.13 0.50 0.09 0.00 0.00 178.44 180.45 1fx6 h LYS 2021N 0.63 0.39 -0.11 1.13 3.64 -1.05 -0.74 116.57 120.47 1fx6 h LYS 2021Ca 0.01 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1fx6 h LYS 2021Cb 1.16 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1fx6 h LYS 2021CO 0.12 0.39 -0.60 0.28 -2.27 0.00 0.00 179.45 177.37 1fx6 h VAL 2022N 0.31 1.36 -0.32 2.00 2.07 -1.32 -3.02 116.25 117.33 1fx6 h VAL 2022Ca 0.09 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 1fx6 h VAL 2022Cb 0.12 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1fx6 h VAL 2022CO -0.01 0.58 -0.01 1.23 0.02 0.00 0.00 177.57 179.38 1fx6 h GLY 2023N 1.27 0.52 0.87 2.17 0.00 -0.05 -1.21 103.07 106.65 1fx6 h GLY 2023Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1fx6 h GLY 2023CO 0.10 0.28 0.06 -2.09 0.00 0.00 0.00 176.54 174.90 1fx6 h GLU 2024N 0.47 0.38 -0.61 4.80 4.81 -1.01 0.16 114.58 123.57 1fx6 h GLU 2024Ca 0.10 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1fx6 h GLU 2024Cb 0.32 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1fx6 h GLU 2024CO 0.01 0.48 0.01 1.49 -0.73 0.00 0.00 179.01 180.27 1fx6 h GLU 2025N 0.21 1.07 -0.02 1.92 4.57 -1.43 -1.05 114.58 119.84 1fx6 h GLU 2025Ca 0.07 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.83 1fx6 h GLU 2025Cb 0.27 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1fx6 h GLU 2025CO 0.00 1.04 -0.42 0.82 -1.18 0.00 0.00 179.01 179.26 1fx6 h ILE 2026N 0.97 1.31 -0.50 2.32 2.04 -1.09 -1.34 117.51 121.21 1fx6 h ILE 2026Ca 0.17 -1.47 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 1fx6 h ILE 2026Cb 0.55 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1fx6 h ILE 2026CO 0.03 0.42 -0.05 0.50 0.00 0.00 0.00 178.15 179.05 1fx6 h LYS 2027N 0.03 0.91 -0.10 2.37 1.63 -0.12 -1.14 116.57 120.15 1fx6 h LYS 2027Ca -0.00 -0.32 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1fx6 h LYS 2027Cb 0.76 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1fx6 h LYS 2027CO 0.06 0.96 0.03 -0.09 -3.45 0.00 0.00 179.45 176.96 1fx6 h ARG 2028N 0.77 0.16 -0.81 1.90 2.43 -0.64 -2.11 114.38 116.08 1fx6 h ARG 2028Ca 0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1fx6 h ARG 2028Cb 0.59 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1fx6 h ARG 2028CO 0.04 0.31 0.54 -0.07 -1.51 0.00 0.00 179.97 179.27 1fx6 h LEU 2029N -0.02 0.90 -1.00 3.80 -0.00 -1.22 -1.48 115.31 116.28 1fx6 h LEU 2029Ca 0.03 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.98 1fx6 h LEU 2029Cb 0.22 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 40.59 1fx6 h LEU 2029CO -0.00 0.63 0.64 -1.28 -0.00 0.00 0.00 178.44 178.43 1fx6 h SER 2030N 1.05 1.00 1.31 -0.43 0.87 -0.68 0.27 113.55 116.94 1fx6 h SER 2030Ca 0.31 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1fx6 h SER 2030Cb -0.04 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1fx6 h SER 2030CO -0.08 0.60 -0.45 -0.33 -0.53 0.00 0.00 176.83 176.04 1fx6 h GLU 2031N 1.11 0.00 0.06 2.24 4.39 -0.67 -3.29 114.58 118.42 1fx6 h GLU 2031Ca 0.45 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.90 1fx6 h GLU 2031Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1fx6 h GLU 2031CO -0.21 0.45 -1.27 -0.22 -1.16 0.00 0.00 179.01 176.60 1fx6 h LYS 2032N 0.00 0.13 -2.49 2.33 3.64 -0.17 -3.39 116.57 116.62 1fx6 h LYS 2032Ca -0.00 -0.22 -0.64 0.00 -1.27 0.00 0.00 60.65 58.52 1fx6 h LYS 2032Cb 1.23 0.08 -0.40 0.00 -0.41 0.00 0.00 32.23 32.73 1fx6 h LYS 2032CO 0.06 1.02 -0.36 1.19 -2.27 0.00 0.00 179.45 179.09 1fx6 n PHE 2033N -3.38 3.46 0.30 1.91 3.01 0.78 -4.91 117.46 118.63 1fx6 n PHE 2033Ca -0.08 -3.96 0.19 0.00 1.01 0.00 0.00 57.45 54.61 1fx6 n PHE 2033Cb 1.00 -0.71 1.01 0.00 -0.01 0.00 0.00 39.48 40.77 1fx6 n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1fx6 h LYS 2034N 4.64 0.00 0.00 -1.08 1.79 -1.76 -1.03 116.57 119.13 1fx6 h LYS 2034Ca 0.19 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1fx6 h LYS 2034Cb 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1fx6 h LYS 2034CO 0.90 0.00 -0.16 -1.91 -1.08 0.00 0.00 179.45 177.20 1fx6 n GLU 2035N -2.86 0.23 -4.16 3.15 4.07 -1.26 -4.82 120.64 115.00 1fx6 n GLU 2035Ca -0.02 0.16 -0.35 0.00 -0.06 0.00 0.00 57.16 56.89 1fx6 n GLU 2035Cb 0.12 -1.74 -0.08 0.00 -0.06 0.00 0.00 31.44 29.69 1fx6 n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1fx6 s VAL 2036N -3.10 4.74 -0.27 6.31 1.01 -0.39 -3.96 120.40 124.74 1fx6 s VAL 2036Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1fx6 s VAL 2036Cb 0.13 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1fx6 s VAL 2036CO 0.62 0.52 0.25 -0.70 0.00 0.00 0.00 175.10 175.79 1fx6 s GLU 2037N -1.21 3.98 0.00 2.72 2.12 0.22 -4.96 118.70 121.58 1fx6 s GLU 2037Ca 0.17 -0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.27 1fx6 s GLU 2037Cb -0.12 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1fx6 s GLU 2037CO 0.07 -0.20 0.21 -0.06 -0.54 0.00 0.00 175.26 174.73 1fx6 s PHE 2038N 1.83 3.55 -0.06 5.30 0.40 -1.26 -0.92 117.98 126.83 1fx6 s PHE 2038Ca 0.10 0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1fx6 s PHE 2038Cb -0.16 -1.87 0.03 0.00 0.51 0.00 0.00 43.02 41.53 1fx6 s PHE 2038CO 0.10 0.63 -0.02 0.08 0.70 0.00 0.00 175.22 176.71 1fx6 s VAL 2039N -1.34 0.43 0.02 -0.44 1.01 -0.87 -4.14 120.40 115.06 1fx6 s VAL 2039Ca 0.28 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 1fx6 s VAL 2039Cb -0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1fx6 s VAL 2039CO 0.19 0.23 0.97 0.12 0.00 0.00 0.00 175.10 176.61 1fx6 s PHE 2040N 1.41 3.68 0.02 5.22 5.36 0.16 -1.31 117.98 132.52 1fx6 s PHE 2040Ca -0.04 1.71 0.06 0.00 -0.96 0.00 0.00 56.93 57.70 1fx6 s PHE 2040Cb -0.13 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 1fx6 s PHE 2040CO -0.03 0.03 -0.19 0.21 -1.46 0.00 0.00 175.22 173.79 1fx6 s LYS 2041N 0.83 1.34 -0.27 10.12 2.36 0.66 -1.21 119.74 133.57 1fx6 s LYS 2041Ca 0.51 -0.80 -0.27 0.00 -2.55 0.00 0.00 55.97 52.86 1fx6 s LYS 2041Cb -0.21 -1.37 0.17 0.00 -1.05 0.00 0.00 37.83 35.36 1fx6 s LYS 2041CO 0.28 0.36 1.27 0.45 1.55 0.00 0.00 175.35 179.26 1fx6 s SER 2042N -0.89 -0.19 -0.13 1.43 0.15 -1.14 -3.41 113.70 109.51 1fx6 s SER 2042Ca 0.06 0.32 -0.11 0.00 0.70 0.00 0.00 55.95 56.92 1fx6 s SER 2042Cb -0.08 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 1fx6 s SER 2042CO 0.01 -0.10 0.23 -0.44 1.20 0.00 0.00 173.24 174.14 1fx6 s SER 2043N -0.29 6.43 0.13 5.45 0.01 -0.76 -4.44 113.70 120.25 1fx6 s SER 2043Ca 0.05 0.51 0.27 0.00 1.31 0.00 0.00 55.95 58.09 1fx6 s SER 2043Cb -0.04 -2.14 0.89 0.00 0.21 0.00 0.00 66.02 64.94 1fx6 s SER 2043CO -0.10 0.24 1.77 2.22 0.41 0.00 0.00 173.24 177.78 1fx6 n PHE 2044N 2.84 0.60 -3.63 2.43 1.16 -1.26 -1.43 117.46 118.17 1fx6 n PHE 2044Ca -0.15 0.17 -0.05 0.00 -1.87 0.00 0.00 57.45 55.55 1fx6 n PHE 2044Cb 0.53 -0.77 -0.06 0.00 -1.61 0.00 0.00 39.48 37.57 1fx6 n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fx6 s ASP 2045N -4.01 -0.96 -0.99 5.98 2.15 -1.26 -3.59 116.67 114.00 1fx6 s ASP 2045Ca 0.11 1.45 -0.17 0.00 0.43 0.00 0.00 52.55 54.37 1fx6 s ASP 2045Cb 0.15 1.64 0.15 0.00 -0.30 0.00 0.00 42.92 44.55 1fx6 s ASP 2045CO 0.59 -0.22 1.18 -0.54 -0.17 0.00 0.00 175.17 176.01 1fx6 s LYS 2046N 1.99 3.72 0.00 4.34 -0.14 0.82 -4.84 119.74 125.63 1fx6 s LYS 2046Ca -0.09 -2.00 0.28 0.00 -1.36 0.00 0.00 55.97 52.81 1fx6 s LYS 2046Cb -0.07 -4.92 1.36 0.00 -1.68 0.00 0.00 37.83 32.52 1fx6 s LYS 2046CO -0.19 -1.74 1.94 0.00 -0.76 0.00 0.00 175.35 174.60 1fx6 n ALA 2047N 6.17 2.36 -1.83 5.17 0.00 -1.26 -4.04 120.51 127.08 1fx6 n ALA 2047Ca 0.26 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.63 1fx6 n ALA 2047Cb 0.47 -1.45 0.14 0.00 0.00 0.00 0.00 19.45 18.62 1fx6 n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fx6 n ASN 2048N -1.33 1.50 -4.74 0.00 2.04 -1.26 -5.08 115.26 106.39 1fx6 n ASN 2048Ca 0.12 -3.23 -0.37 0.00 -0.44 0.00 0.00 54.58 50.66 1fx6 n ASN 2048Cb 0.24 -0.44 0.06 0.00 -2.53 0.00 0.00 39.78 37.11 1fx6 n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1fx6 s ARG 2049N -2.17 2.69 0.08 -3.83 1.81 -1.26 -4.93 118.95 111.34 1fx6 s ARG 2049Ca 0.35 2.06 -0.20 0.00 -1.72 0.00 0.00 55.73 56.22 1fx6 s ARG 2049Cb 0.35 -1.92 -0.10 0.00 -0.45 0.00 0.00 34.95 32.84 1fx6 s ARG 2049CO -0.09 -1.49 1.55 1.03 -0.68 0.00 0.00 175.30 175.62 1fx6 h SER 2050N 0.73 0.32 -3.08 0.23 0.87 -1.98 -3.44 113.55 107.21 1fx6 h SER 2050Ca -0.51 -0.26 -0.60 0.00 -1.23 0.00 0.00 61.79 59.19 1fx6 h SER 2050Cb 1.33 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.15 1fx6 h SER 2050CO 0.54 0.50 -0.21 -0.55 -0.53 0.00 0.00 176.83 176.58 1fx6 s SER 2051N -5.77 6.74 0.46 6.23 0.15 -1.26 -4.98 113.70 115.27 1fx6 s SER 2051Ca -0.14 0.90 0.25 0.00 0.70 0.00 0.00 55.95 57.67 1fx6 s SER 2051Cb 0.07 -2.22 1.01 0.00 -1.71 0.00 0.00 66.02 63.16 1fx6 s SER 2051CO 0.72 0.25 1.86 -0.29 1.20 0.00 0.00 173.24 176.98 1fx6 h ILE 2052N 3.30 0.51 -0.54 6.45 6.09 -2.03 -3.09 117.51 128.21 1fx6 h ILE 2052Ca -0.50 -1.02 -0.24 0.00 -1.37 0.00 0.00 64.86 61.73 1fx6 h ILE 2052Cb 1.21 1.70 -0.15 0.00 0.47 0.00 0.00 36.82 40.05 1fx6 h ILE 2052CO 0.64 0.19 0.31 1.41 -3.07 0.00 0.00 178.15 177.63 1fx6 n HIS 2053N -3.39 1.70 -4.11 2.19 8.25 -1.26 -4.92 115.22 113.67 1fx6 n HIS 2053Ca -0.00 -1.12 -0.24 0.00 -0.26 0.00 0.00 57.72 56.11 1fx6 n HIS 2053Cb 0.40 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 30.86 1fx6 n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fx6 s SER 2054N -0.38 5.47 0.17 0.41 0.01 -1.17 -5.08 113.70 113.14 1fx6 s SER 2054Ca 0.33 -0.22 -0.31 0.00 1.31 0.00 0.00 55.95 57.06 1fx6 s SER 2054Cb 0.28 -1.39 -0.09 0.00 0.21 0.00 0.00 66.02 65.02 1fx6 s SER 2054CO 0.07 0.01 1.45 0.12 0.41 0.00 0.00 173.24 175.30 1fx6 s PHE 2055N -1.99 3.14 -0.13 2.43 5.36 -1.26 -4.92 117.98 120.61 1fx6 s PHE 2055Ca 0.32 0.88 0.01 0.00 -0.96 0.00 0.00 56.93 57.17 1fx6 s PHE 2055Cb -0.09 -3.79 -0.08 0.00 -0.34 0.00 0.00 43.02 38.72 1fx6 s PHE 2055CO 0.24 -2.75 -0.11 0.54 -1.46 0.00 0.00 175.22 171.67 1fx6 n ARG 2056N 3.53 0.32 -1.39 10.12 1.74 -1.26 -4.75 116.66 124.97 1fx6 n ARG 2056Ca 0.11 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1fx6 n ARG 2056Cb 0.41 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1fx6 n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fx6 n GLY 2057N 2.88 0.17 1.01 -0.13 0.00 -1.26 -0.13 105.19 107.72 1fx6 n GLY 2057Ca -0.23 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.20 1fx6 n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fx6 n HIS 2058N 8.92 0.82 0.00 1.61 8.25 -1.25 -5.04 115.22 128.52 1fx6 n HIS 2058Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 1fx6 n HIS 2058Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1fx6 n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fx6 n GLY 2059N 0.79 1.83 0.12 -1.41 0.00 -1.24 -4.44 105.19 100.84 1fx6 n GLY 2059Ca 0.18 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1fx6 n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fx6 h LEU 2060N 0.00 0.31 -0.31 0.99 5.85 -1.99 -2.42 115.31 117.75 1fx6 h LEU 2060Ca 0.00 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1fx6 h LEU 2060Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1fx6 h LEU 2060CO 0.00 0.61 0.16 -0.33 -0.34 0.00 0.00 178.44 178.54 1fx6 h GLU 2061N 0.01 0.44 -0.25 1.25 5.08 -1.97 0.12 114.58 119.26 1fx6 h GLU 2061Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1fx6 h GLU 2061Cb 0.48 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1fx6 h GLU 2061CO 0.02 0.39 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.45 1fx6 h TYR 2062N 0.37 0.39 0.00 4.33 3.20 -1.78 -0.24 116.97 123.25 1fx6 h TYR 2062Ca 0.11 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1fx6 h TYR 2062Cb 0.09 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1fx6 h TYR 2062CO -0.02 0.44 -0.00 0.78 -1.64 0.00 0.00 178.16 177.71 1fx6 h GLY 2063N 0.76 -0.00 1.20 1.82 0.00 -0.94 -1.88 103.07 104.02 1fx6 h GLY 2063Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1fx6 h GLY 2063CO 0.01 -0.00 0.50 -2.08 0.00 0.00 0.00 176.54 174.97 1fx6 h VAL 2064N -0.57 1.15 0.72 4.60 2.07 -0.63 -0.22 116.25 123.36 1fx6 h VAL 2064Ca -0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1fx6 h VAL 2064Cb 0.57 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1fx6 h VAL 2064CO 0.00 0.18 -0.40 0.50 0.02 0.00 0.00 177.57 177.87 1fx6 h LYS 2065N 0.97 -0.99 -0.79 1.57 3.64 -1.00 -1.31 116.57 118.66 1fx6 h LYS 2065Ca 0.29 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.85 1fx6 h LYS 2065Cb -0.03 0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1fx6 h LYS 2065CO -0.07 -0.66 0.41 0.00 -2.27 0.00 0.00 179.45 176.85 1fx6 h ALA 2066N -1.40 1.12 -0.24 5.00 0.00 -1.05 -0.27 119.26 122.43 1fx6 h ALA 2066Ca -0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1fx6 h ALA 2066Cb 0.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1fx6 h ALA 2066CO 0.13 -0.02 0.04 -0.07 0.00 0.00 0.00 179.25 179.32 1fx6 h LEU 2067N 0.65 0.32 -0.43 0.00 3.38 -0.95 -1.32 115.31 116.96 1fx6 h LEU 2067Ca 0.40 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 1fx6 h LEU 2067Cb 0.46 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1fx6 h LEU 2067CO -0.30 0.35 0.06 0.03 0.09 0.00 0.00 178.44 178.67 1fx6 h ARG 2068N 0.35 0.72 -0.72 1.13 3.08 0.14 -2.41 114.38 116.68 1fx6 h ARG 2068Ca 0.08 -0.20 0.10 0.00 0.07 0.00 0.00 59.98 60.03 1fx6 h ARG 2068Cb 0.17 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1fx6 h ARG 2068CO -0.00 0.76 0.47 -0.22 -1.07 0.00 0.00 179.97 179.91 1fx6 h LYS 2069N 0.58 0.58 -0.11 0.04 1.63 -0.55 0.58 116.57 119.31 1fx6 h LYS 2069Ca 0.13 -0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.72 1fx6 h LYS 2069Cb 0.40 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1fx6 h LYS 2069CO 0.01 0.38 -0.63 0.28 -3.45 0.00 0.00 179.45 176.04 1fx6 h VAL 2070N 0.59 1.34 -0.09 2.00 2.07 -1.17 -0.68 116.25 120.31 1fx6 h VAL 2070Ca 0.33 -1.92 -0.09 0.00 0.82 0.00 0.00 66.70 65.84 1fx6 h VAL 2070Cb 0.50 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1fx6 h VAL 2070CO -0.11 0.59 -0.35 0.50 0.02 0.00 0.00 177.57 178.21 1fx6 h LYS 2071N 0.26 0.17 0.20 1.57 3.64 -0.85 -1.16 116.57 120.40 1fx6 h LYS 2071Ca -0.05 -0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 58.95 1fx6 h LYS 2071Cb 1.28 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1fx6 h LYS 2071CO 0.13 0.51 -1.47 0.93 -2.27 0.00 0.00 179.45 177.29 1fx6 h GLU 2072N 0.15 0.42 0.00 1.90 5.08 -0.93 -0.32 114.58 120.89 1fx6 h GLU 2072Ca 0.02 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1fx6 h GLU 2072Cb 0.70 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1fx6 h GLU 2072CO 0.05 1.34 0.00 1.49 -1.00 0.00 0.00 179.01 180.90 1fx6 h GLU 2073N -0.01 0.00 0.00 2.33 4.81 -1.12 -3.37 114.58 117.22 1fx6 h GLU 2073Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1fx6 h GLU 2073Cb 2.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1fx6 h GLU 2073CO 0.20 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.67 1fx6 n PHE 2074N -2.84 0.00 -2.99 0.92 3.72 -0.44 -5.04 117.46 110.79 1fx6 n PHE 2074Ca 0.04 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 1fx6 n PHE 2074Cb 0.49 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.07 1fx6 n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fx6 n GLY 2075N 0.46 -0.36 3.87 1.37 0.00 -0.13 -5.00 105.19 105.41 1fx6 n GLY 2075Ca 0.00 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1fx6 n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fx6 s LEU 2076N -5.94 4.28 0.58 0.99 1.43 -1.25 -5.05 118.68 113.73 1fx6 s LEU 2076Ca 0.30 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.55 1fx6 s LEU 2076Cb -0.13 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1fx6 s LEU 2076CO 0.37 0.30 1.14 -0.54 0.23 0.00 0.00 176.35 177.85 1fx6 s LYS 2077N -1.69 3.12 0.19 1.70 1.02 -1.26 -4.46 119.74 118.37 1fx6 s LYS 2077Ca 0.24 1.62 0.11 0.00 0.02 0.00 0.00 55.97 57.96 1fx6 s LYS 2077Cb -0.12 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1fx6 s LYS 2077CO 0.14 -1.04 -0.24 0.42 -0.92 0.00 0.00 175.35 173.71 1fx6 s ILE 2078N -1.86 2.37 -0.20 2.17 -1.09 -1.26 -0.67 121.20 120.67 1fx6 s ILE 2078Ca 0.73 -2.03 -0.16 0.00 -2.23 0.00 0.00 60.65 56.95 1fx6 s ILE 2078Cb -0.25 -2.14 0.05 0.00 -1.58 0.00 0.00 42.46 38.55 1fx6 s ILE 2078CO 0.32 -0.12 0.51 0.28 -1.23 0.00 0.00 174.94 174.70 1fx6 s THR 2079N -1.69 -0.00 0.23 2.92 -1.32 -0.35 0.60 115.64 116.03 1fx6 s THR 2079Ca 0.21 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1fx6 s THR 2079Cb -0.08 -0.72 -0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1fx6 s THR 2079CO 0.10 0.01 0.41 0.28 -2.21 0.00 0.00 174.62 173.21 1fx6 s THR 2080N 0.57 0.01 0.08 5.08 -1.32 -1.23 -2.90 115.64 115.93 1fx6 s THR 2080Ca -0.02 -1.44 0.03 0.00 -1.21 0.00 0.00 61.69 59.05 1fx6 s THR 2080Cb -0.04 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1fx6 s THR 2080CO -0.03 -0.05 0.06 1.51 -2.21 0.00 0.00 174.62 173.91 1fx6 s ASP 2081N -3.02 5.44 0.26 8.08 -4.77 -1.26 -1.22 116.67 120.18 1fx6 s ASP 2081Ca 0.23 -0.04 0.08 0.00 -3.30 0.00 0.00 52.55 49.52 1fx6 s ASP 2081Cb 0.01 -1.43 -0.04 0.00 -1.09 0.00 0.00 42.92 40.37 1fx6 s ASP 2081CO 0.07 0.17 0.09 0.27 0.70 0.00 0.00 175.17 176.48 1fx6 s ILE 2082N -1.38 3.93 0.00 2.11 -4.36 -0.90 -4.80 121.20 115.80 1fx6 s ILE 2082Ca 0.29 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 1fx6 s ILE 2082Cb -0.12 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.48 1fx6 s ILE 2082CO 0.21 -0.36 0.00 1.41 0.24 0.00 0.00 174.94 176.45 1fx6 n HIS 2083N -1.01 0.00 -3.74 1.37 8.25 -1.26 -4.37 115.22 114.46 1fx6 n HIS 2083Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.25 1fx6 n HIS 2083Cb 0.58 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.60 1fx6 n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fx6 s GLU 2084N -0.54 0.58 0.22 -0.41 2.02 -1.26 -5.08 118.70 114.22 1fx6 s GLU 2084Ca 0.00 0.14 -0.20 0.00 0.02 0.00 0.00 54.97 54.93 1fx6 s GLU 2084Cb 0.00 0.27 0.19 0.00 0.10 0.00 0.00 34.13 34.69 1fx6 s GLU 2084CO 0.00 -0.13 1.55 0.77 0.02 0.00 0.00 175.26 177.47 1fx6 h SER 2085N 4.58 -1.54 -0.92 -0.19 0.02 -1.91 -1.61 113.55 111.97 1fx6 h SER 2085Ca -0.28 0.31 0.25 0.00 -0.84 0.00 0.00 61.79 61.23 1fx6 h SER 2085Cb 1.18 0.78 -0.05 0.00 0.14 0.00 0.00 62.40 64.45 1fx6 h SER 2085CO 0.34 -0.28 0.64 4.11 -1.14 0.00 0.00 176.83 180.51 1fx6 h TRP 2086N -0.01 0.20 0.00 3.45 5.08 -1.98 -1.15 115.95 121.55 1fx6 h TRP 2086Ca 0.32 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.28 1fx6 h TRP 2086Cb 0.57 -0.06 -0.00 0.00 -3.00 0.00 0.00 29.16 26.67 1fx6 h TRP 2086CO -0.89 0.04 -0.05 1.96 -1.28 0.00 0.00 178.44 178.22 1fx6 h GLN 2087N 0.14 0.00 -0.55 0.12 4.20 -1.72 -3.29 115.11 114.01 1fx6 h GLN 2087Ca 0.46 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.25 1fx6 h GLN 2087Cb 1.58 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.29 1fx6 h GLN 2087CO -0.08 0.05 0.18 0.00 -0.67 0.00 0.00 178.83 178.31 1fx6 h ALA 2088N 1.95 0.68 0.30 3.87 0.00 -1.33 -2.10 119.26 122.63 1fx6 h ALA 2088Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fx6 h ALA 2088Cb 0.48 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1fx6 h ALA 2088CO 0.01 -0.23 -0.15 1.49 0.00 0.00 0.00 179.25 180.37 1fx6 h GLU 2089N 0.35 -0.39 -0.52 0.00 4.81 -1.78 -1.18 114.58 115.87 1fx6 h GLU 2089Ca 0.27 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1fx6 h GLU 2089Cb 0.33 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1fx6 h GLU 2089CO -0.29 -0.08 0.33 -1.00 -0.73 0.00 0.00 179.01 177.23 1fx6 h PRO 2090N -0.74 0.68 -0.27 0.92 0.13 -1.74 -2.58 132.00 128.41 1fx6 h PRO 2090Ca -0.04 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 64.89 1fx6 h PRO 2090Cb 0.50 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1fx6 h PRO 2090CO 0.07 0.47 -0.46 0.28 -0.23 0.00 0.00 178.00 178.13 1fx6 h VAL 2091N 0.70 1.30 -0.03 1.56 2.07 -1.38 -3.04 116.25 117.43 1fx6 h VAL 2091Ca 0.19 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 66.06 1fx6 h VAL 2091Cb -0.06 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1fx6 h VAL 2091CO -0.04 0.53 0.05 0.00 0.02 0.00 0.00 177.57 178.13 1fx6 h ALA 2092N 0.94 1.39 -0.78 1.67 0.00 -0.79 -1.22 119.26 120.46 1fx6 h ALA 2092Ca 0.03 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1fx6 h ALA 2092Cb 1.01 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1fx6 h ALA 2092CO 0.09 -0.06 0.37 0.93 0.00 0.00 0.00 179.25 180.58 1fx6 h GLU 2093N 0.00 0.55 0.00 0.00 4.39 -1.51 -3.32 114.58 114.69 1fx6 h GLU 2093Ca 0.01 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.43 1fx6 h GLU 2093Cb 0.11 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1fx6 h GLU 2093CO -0.00 0.36 -1.93 0.28 -1.16 0.00 0.00 179.01 176.56 1fx6 n VAL 2094N -4.90 0.93 -2.11 3.13 0.31 -0.90 -5.01 118.33 109.78 1fx6 n VAL 2094Ca 0.14 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 1fx6 n VAL 2094Cb 0.37 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.12 1fx6 n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fx6 s ALA 2095N -2.32 3.62 0.10 3.52 0.00 -0.51 -4.57 121.76 121.61 1fx6 s ALA 2095Ca -0.22 1.08 0.06 0.00 0.00 0.00 0.00 51.96 52.88 1fx6 s ALA 2095Cb 0.06 -3.60 -0.22 0.00 0.00 0.00 0.00 23.12 19.36 1fx6 s ALA 2095CO 0.37 -0.84 1.22 -0.44 0.00 0.00 0.00 175.76 176.07 1fx6 h ASP 2096N 7.48 0.04 -3.40 0.00 3.32 -0.15 -3.44 116.42 120.27 1fx6 h ASP 2096Ca -0.41 -0.05 -0.50 0.00 0.02 0.00 0.00 57.03 56.09 1fx6 h ASP 2096Cb 1.20 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 1fx6 h ASP 2096CO 0.90 1.04 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.01 1fx6 s ILE 2097N -2.70 1.05 -0.21 0.35 1.01 -0.91 -2.50 121.20 117.29 1fx6 s ILE 2097Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 1fx6 s ILE 2097Cb 0.10 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1fx6 s ILE 2097CO 0.83 0.34 0.32 -0.63 0.00 0.00 0.00 174.94 175.80 1fx6 s ILE 2098N 0.78 5.26 -0.19 2.92 1.01 0.55 -3.53 121.20 128.00 1fx6 s ILE 2098Ca -0.13 0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 1fx6 s ILE 2098Cb -0.15 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1fx6 s ILE 2098CO 0.02 0.29 0.23 -1.58 0.00 0.00 0.00 174.94 173.91 1fx6 s GLN 2099N 1.13 4.20 -0.23 2.79 0.74 -0.35 -1.00 119.66 126.93 1fx6 s GLN 2099Ca 0.16 -0.05 -0.11 0.00 0.05 0.00 0.00 55.36 55.40 1fx6 s GLN 2099Cb -0.14 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 1fx6 s GLN 2099CO 0.06 0.21 0.18 0.42 -0.55 0.00 0.00 175.29 175.61 1fx6 s ILE 2100N 0.60 5.35 0.64 -2.34 -1.09 -0.14 -2.13 121.20 122.09 1fx6 s ILE 2100Ca 0.13 0.22 -0.18 0.00 -2.23 0.00 0.00 60.65 58.59 1fx6 s ILE 2100Cb -0.13 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1fx6 s ILE 2100CO 0.02 0.35 1.27 -2.84 -1.23 0.00 0.00 174.94 172.51 1fx6 s PRO 2101N 1.02 2.63 0.15 2.79 0.02 -1.26 -1.94 135.00 138.41 1fx6 s PRO 2101Ca 0.08 2.01 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 1fx6 s PRO 2101Cb -0.13 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.59 1fx6 s PRO 2101CO 0.04 -1.52 1.72 0.00 -0.33 0.00 0.00 177.00 176.91 1fx6 h ALA 2102N 0.60 0.34 0.00 -1.55 0.00 -1.90 -1.22 119.26 115.52 1fx6 h ALA 2102Ca -0.51 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1fx6 h ALA 2102Cb 1.33 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1fx6 h ALA 2102CO 0.53 -0.37 -0.02 0.74 0.00 0.00 0.00 179.25 180.14 1fx6 h PHE 2103N 0.14 0.00 -0.47 0.00 0.04 -1.92 -2.76 116.94 111.97 1fx6 h PHE 2103Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1fx6 h PHE 2103Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1fx6 h PHE 2103CO -0.21 0.02 0.00 1.28 -0.60 0.00 0.00 178.31 178.80 1fx6 n LEU 2104N -3.35 3.45 0.00 1.54 4.77 -0.50 -4.56 117.00 118.35 1fx6 n LEU 2104Ca -0.02 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 1fx6 n LEU 2104Cb 0.12 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1fx6 n LEU 2104CO 0.24 0.80 0.49 0.00 -1.33 0.00 0.00 177.39 177.59 1fx6 n ARG 2106N -1.45 2.31 -2.31 0.00 5.12 -1.26 -4.91 116.66 114.15 1fx6 n ARG 2106Ca 0.00 -0.37 -0.40 0.00 -1.93 0.00 0.00 57.85 55.15 1fx6 n ARG 2106Cb 0.02 -1.15 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1fx6 n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1fx6 s GLN 2107N -1.93 2.97 0.19 5.56 -1.52 -0.59 -4.89 119.66 119.45 1fx6 s GLN 2107Ca 0.08 0.22 -0.14 0.00 -1.95 0.00 0.00 55.36 53.57 1fx6 s GLN 2107Cb 0.10 -4.26 0.20 0.00 -0.22 0.00 0.00 33.01 28.83 1fx6 s GLN 2107CO 0.43 -2.36 1.66 1.15 -0.25 0.00 0.00 175.29 175.91 1fx6 h THR 2108N 6.44 0.51 -0.24 -0.19 2.02 -1.91 -1.97 112.91 117.57 1fx6 h THR 2108Ca -0.27 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1fx6 h THR 2108Cb 1.10 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1fx6 h THR 2108CO 1.24 0.01 0.00 0.44 0.37 0.00 0.00 175.52 177.58 1fx6 h ASP 2109N 0.05 0.33 -0.29 4.18 3.32 -1.99 -0.92 116.42 121.10 1fx6 h ASP 2109Ca 0.27 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 1fx6 h ASP 2109Cb 0.41 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1fx6 h ASP 2109CO -0.50 0.39 -0.41 0.25 -1.72 0.00 0.00 179.24 177.25 1fx6 h LEU 2110N 0.35 0.91 -0.25 1.55 5.85 -1.76 -0.03 115.31 121.93 1fx6 h LEU 2110Ca 0.08 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 1fx6 h LEU 2110Cb 0.24 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1fx6 h LEU 2110CO 0.01 1.19 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.91 1fx6 h LEU 2111N 0.69 0.70 -0.63 2.25 3.38 -1.07 -2.39 115.31 118.24 1fx6 h LEU 2111Ca 0.05 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1fx6 h LEU 2111Cb 0.98 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1fx6 h LEU 2111CO 0.09 1.06 0.19 -0.07 0.09 0.00 0.00 178.44 179.81 1fx6 h LEU 2112N 0.36 0.92 -1.03 1.67 3.38 -1.11 -0.68 115.31 118.81 1fx6 h LEU 2112Ca 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1fx6 h LEU 2112Cb 0.89 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1fx6 h LEU 2112CO 0.07 0.89 0.36 0.00 0.09 0.00 0.00 178.44 179.86 1fx6 h ALA 2113N 1.07 1.25 -0.25 1.53 0.00 -0.97 -0.30 119.26 121.59 1fx6 h ALA 2113Ca 0.20 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1fx6 h ALA 2113Cb 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1fx6 h ALA 2113CO -0.01 0.58 -0.27 0.00 0.00 0.00 0.00 179.25 179.55 1fx6 h ALA 2114N 1.36 0.37 -0.75 0.00 0.00 -1.10 -3.15 119.26 115.99 1fx6 h ALA 2114Ca 0.26 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1fx6 h ALA 2114Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1fx6 h ALA 2114CO -0.03 0.38 0.32 0.00 0.00 0.00 0.00 179.25 179.91 1fx6 h ALA 2115N 0.68 1.14 -0.33 0.00 0.00 -0.77 -2.98 119.26 117.00 1fx6 h ALA 2115Ca 0.04 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1fx6 h ALA 2115Cb 0.84 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1fx6 h ALA 2115CO 0.07 0.62 0.23 -0.22 0.00 0.00 0.00 179.25 179.95 1fx6 h LYS 2116N 1.08 0.13 0.00 0.00 3.64 -1.01 -2.37 116.57 118.04 1fx6 h LYS 2116Ca 0.25 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1fx6 h LYS 2116Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1fx6 h LYS 2116CO -0.03 0.09 0.00 1.79 -2.27 0.00 0.00 179.45 179.03 1fx6 h THR 2117N 0.14 0.00 0.00 1.00 1.35 -1.56 -3.46 112.91 110.38 1fx6 h THR 2117Ca 0.15 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1fx6 h THR 2117Cb 0.42 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1fx6 h THR 2117CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1fx6 n GLY 2118N -0.34 2.05 3.72 5.82 0.00 -0.89 -5.05 105.19 110.50 1fx6 n GLY 2118Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1fx6 n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fx6 s ARG 2119N -0.59 0.06 0.51 1.61 1.81 -1.26 -4.91 118.95 116.18 1fx6 s ARG 2119Ca 0.00 0.09 -0.16 0.00 -1.72 0.00 0.00 55.73 53.93 1fx6 s ARG 2119Cb 0.00 -1.73 -0.08 0.00 -0.45 0.00 0.00 34.95 32.69 1fx6 s ARG 2119CO 0.00 -2.89 0.97 0.00 -0.68 0.00 0.00 175.30 172.71 1fx6 s ALA 2120N -3.22 3.08 -0.06 2.13 0.00 -1.04 -4.77 121.76 117.88 1fx6 s ALA 2120Ca 0.68 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1fx6 s ALA 2120Cb -0.12 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1fx6 s ALA 2120CO 0.55 -0.21 -0.17 0.08 0.00 0.00 0.00 175.76 176.01 1fx6 s VAL 2121N -2.60 1.49 -0.25 0.00 1.01 -0.51 -0.33 120.40 119.21 1fx6 s VAL 2121Ca 0.59 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1fx6 s VAL 2121Cb -0.10 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 35.04 1fx6 s VAL 2121CO 0.31 0.43 -0.11 0.21 0.00 0.00 0.00 175.10 175.93 1fx6 s ASN 2122N 0.26 4.34 -0.34 3.32 3.04 -0.17 -0.61 114.94 124.78 1fx6 s ASN 2122Ca -0.10 -1.34 -0.13 0.00 0.04 0.00 0.00 52.86 51.33 1fx6 s ASN 2122Cb -0.14 -1.53 -0.02 0.00 -1.54 0.00 0.00 41.25 38.02 1fx6 s ASN 2122CO 0.04 -0.18 0.26 -0.69 -3.04 0.00 0.00 177.10 173.49 1fx6 s VAL 2123N 1.12 5.27 0.08 -5.21 1.01 -0.06 -0.97 120.40 121.64 1fx6 s VAL 2123Ca -0.08 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1fx6 s VAL 2123Cb -0.20 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1fx6 s VAL 2123CO -0.06 -0.00 1.49 -0.54 0.00 0.00 0.00 175.10 175.99 1fx6 s LYS 2124N 1.77 4.26 -0.13 2.72 -0.14 -0.82 -1.55 119.74 125.86 1fx6 s LYS 2124Ca 0.07 2.15 -0.29 0.00 -1.36 0.00 0.00 55.97 56.54 1fx6 s LYS 2124Cb -0.17 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 1fx6 s LYS 2124CO 0.11 -0.58 1.41 0.21 -0.76 0.00 0.00 175.35 175.74 1fx6 s LYS 2125N 1.86 4.20 0.39 1.68 2.20 -0.23 -4.03 119.74 125.82 1fx6 s LYS 2125Ca 0.68 1.84 -0.25 0.00 -0.36 0.00 0.00 55.97 57.88 1fx6 s LYS 2125Cb -0.37 -3.85 -0.11 0.00 -1.51 0.00 0.00 37.83 31.98 1fx6 s LYS 2125CO 0.30 -0.78 0.98 0.41 -0.36 0.00 0.00 175.35 175.89 1fx6 n GLY 2126N 3.84 -0.31 0.13 5.54 0.00 -1.24 -4.58 105.19 108.56 1fx6 n GLY 2126Ca 0.15 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.44 1fx6 n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fx6 n GLN 2127N 0.32 0.13 0.00 1.61 3.00 -1.26 -1.46 117.38 119.72 1fx6 n GLN 2127Ca 0.09 0.55 0.11 0.00 -0.01 0.00 0.00 57.00 57.74 1fx6 n GLN 2127Cb 0.38 -1.85 -0.02 0.00 0.00 0.00 0.00 30.24 28.75 1fx6 n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fx6 n PHE 2128N -2.11 0.00 -3.27 1.08 1.16 -1.26 -1.22 117.46 111.84 1fx6 n PHE 2128Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 1fx6 n PHE 2128Cb 0.08 -0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 37.85 1fx6 n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fx6 s LEU 2129N -2.90 4.40 0.28 5.98 2.96 -0.53 -5.05 118.68 123.81 1fx6 s LEU 2129Ca 0.11 1.21 -0.12 0.00 -0.22 0.00 0.00 54.13 55.11 1fx6 s LEU 2129Cb 0.17 -3.22 -0.08 0.00 0.50 0.00 0.00 46.19 43.56 1fx6 s LEU 2129CO 0.78 0.14 0.64 0.00 -1.32 0.00 0.00 176.35 176.59 1fx6 s ALA 2130N -1.36 3.45 0.18 5.97 0.00 -1.26 -4.92 121.76 123.82 1fx6 s ALA 2130Ca 0.36 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 1fx6 s ALA 2130Cb -0.17 -2.59 0.18 0.00 0.00 0.00 0.00 23.12 20.54 1fx6 s ALA 2130CO 0.20 0.41 1.71 -1.35 0.00 0.00 0.00 175.76 176.73 1fx6 h PRO 2131N 2.37 0.20 0.00 0.00 0.11 -1.98 -1.49 132.00 131.21 1fx6 h PRO 2131Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fx6 h PRO 2131Cb 1.17 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1fx6 h PRO 2131CO 0.67 0.13 -0.01 0.11 -0.21 0.00 0.00 178.00 178.69 1fx6 h TRP 2132N 0.21 0.00 0.00 0.65 0.09 -1.94 -1.87 115.95 113.08 1fx6 h TRP 2132Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.22 1fx6 h TRP 2132Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.57 1fx6 h TRP 2132CO -0.24 0.01 0.00 -0.25 0.09 0.00 0.00 178.44 178.05 1fx6 n ASP 2133N -3.19 0.00 0.07 0.11 8.00 -0.56 -2.97 116.55 118.02 1fx6 n ASP 2133Ca -0.02 -1.10 0.13 0.00 0.71 0.00 0.00 54.79 54.51 1fx6 n ASP 2133Cb 0.15 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.64 1fx6 n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fx6 n THR 2134N -0.95 0.43 -0.11 -3.53 -2.24 -0.70 -3.71 114.28 103.46 1fx6 n THR 2134Ca 0.22 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1fx6 n THR 2134Cb 0.10 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 67.91 1fx6 n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fx6 h LYS 2135N 0.00 0.31 0.00 -0.78 3.64 -1.74 -0.92 116.57 117.08 1fx6 h LYS 2135Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1fx6 h LYS 2135Cb 0.69 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1fx6 h LYS 2135CO 0.00 0.20 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.37 1fx6 h ASN 2136N 0.32 0.00 -0.13 4.20 -0.26 -1.82 -1.95 115.58 115.93 1fx6 h ASN 2136Ca 0.16 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.87 1fx6 h ASN 2136Cb 0.11 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1fx6 h ASN 2136CO -0.15 0.10 -0.06 0.58 -1.06 0.00 0.00 177.43 176.84 1fx6 h VAL 2137N 0.00 1.31 -0.50 2.81 2.07 -1.34 -2.47 116.25 118.13 1fx6 h VAL 2137Ca -0.00 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1fx6 h VAL 2137Cb 0.45 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1fx6 h VAL 2137CO 0.01 0.32 0.27 0.58 0.02 0.00 0.00 177.57 178.77 1fx6 h VAL 2138N -0.06 1.18 -0.59 2.57 2.07 -1.03 -2.60 116.25 117.79 1fx6 h VAL 2138Ca 0.03 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1fx6 h VAL 2138Cb 0.52 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1fx6 h VAL 2138CO 0.02 0.19 0.39 -0.08 0.02 0.00 0.00 177.57 178.11 1fx6 h GLU 2139N 0.67 0.64 -0.10 1.57 4.81 -1.33 -0.30 114.58 120.54 1fx6 h GLU 2139Ca 0.18 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1fx6 h GLU 2139Cb 0.06 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1fx6 h GLU 2139CO -0.03 0.43 0.03 0.87 -0.73 0.00 0.00 179.01 179.58 1fx6 h LYS 2140N 0.66 0.16 -0.74 1.92 1.57 -1.06 -1.52 116.57 117.56 1fx6 h LYS 2140Ca 0.24 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1fx6 h LYS 2140Cb 0.14 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1fx6 h LYS 2140CO -0.07 0.31 0.30 -0.07 -0.57 0.00 0.00 179.45 179.35 1fx6 h LEU 2141N -0.02 1.01 -0.52 2.94 3.38 -1.13 -1.54 115.31 119.43 1fx6 h LEU 2141Ca 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1fx6 h LEU 2141Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1fx6 h LEU 2141CO -0.00 0.90 0.27 0.11 0.09 0.00 0.00 178.44 179.80 1fx6 h LYS 2142N 1.05 0.73 -0.33 1.13 1.57 -1.00 -0.70 116.57 119.03 1fx6 h LYS 2142Ca 0.25 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1fx6 h LYS 2142Cb 0.20 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1fx6 h LYS 2142CO -0.02 0.59 0.23 0.35 -0.57 0.00 0.00 179.45 180.02 1fx6 h PHE 2143N 0.69 0.21 -0.00 -1.35 3.57 -0.88 -0.59 116.94 118.58 1fx6 h PHE 2143Ca 0.18 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1fx6 h PHE 2143Cb 0.08 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1fx6 h PHE 2143CO -0.01 0.11 0.00 0.41 -2.23 0.00 0.00 178.31 176.59 1fx6 n GLY 2144N -1.54 -0.88 0.39 2.40 0.00 -0.36 -4.89 105.19 100.30 1fx6 n GLY 2144Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1fx6 n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fx6 n GLY 2145N 0.98 0.70 3.76 -0.02 0.00 -0.23 -3.62 105.19 106.77 1fx6 n GLY 2145Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1fx6 n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fx6 s ALA 2146N -2.19 3.31 0.00 4.61 0.00 -0.68 -4.90 121.76 121.91 1fx6 s ALA 2146Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1fx6 s ALA 2146Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1fx6 s ALA 2146CO 0.00 0.21 0.00 1.63 0.00 0.00 0.00 175.76 177.60 1fx6 n LYS 2147N 1.17 3.54 -3.42 0.00 5.02 -1.26 -4.26 118.16 118.95 1fx6 n LYS 2147Ca -0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 1fx6 n LYS 2147Cb 0.48 -0.96 -0.07 0.00 -0.02 0.00 0.00 35.03 34.46 1fx6 n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fx6 s GLU 2148N -1.92 2.87 -0.08 1.97 2.12 -1.26 -5.05 118.70 117.34 1fx6 s GLU 2148Ca 0.00 -1.50 0.05 0.00 0.36 0.00 0.00 54.97 53.87 1fx6 s GLU 2148Cb 0.00 -4.09 -0.00 0.00 0.26 0.00 0.00 34.13 30.29 1fx6 s GLU 2148CO 0.00 -1.11 -0.24 0.42 -0.54 0.00 0.00 175.26 173.79 1fx6 s ILE 2149N 1.57 2.05 0.05 -3.70 1.01 -1.26 -1.42 121.20 119.49 1fx6 s ILE 2149Ca 0.04 -1.03 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1fx6 s ILE 2149Cb -0.26 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1fx6 s ILE 2149CO 0.04 0.56 -0.24 -0.31 0.00 0.00 0.00 174.94 174.99 1fx6 s TYR 2150N 0.16 2.13 -0.09 3.97 1.51 0.22 -2.91 117.35 122.34 1fx6 s TYR 2150Ca -0.13 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1fx6 s TYR 2150Cb -0.16 -1.26 -0.00 0.00 -0.11 0.00 0.00 41.96 40.42 1fx6 s TYR 2150CO 0.07 0.13 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.89 1fx6 s LEU 2151N -1.28 2.09 -0.16 -1.29 1.43 -0.29 -0.88 118.68 118.29 1fx6 s LEU 2151Ca 0.10 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1fx6 s LEU 2151Cb -0.10 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1fx6 s LEU 2151CO 0.02 0.19 -0.10 -0.89 0.23 0.00 0.00 176.35 175.80 1fx6 s THR 2152N 0.17 3.13 -0.13 5.49 2.01 -0.60 -0.81 115.64 124.91 1fx6 s THR 2152Ca -0.14 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 1fx6 s THR 2152Cb -0.17 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.98 1fx6 s THR 2152CO 0.07 0.49 0.97 -0.70 -0.69 0.00 0.00 174.62 174.76 1fx6 s GLU 2153N 0.75 4.38 -0.02 4.92 2.56 0.54 -1.07 118.70 130.76 1fx6 s GLU 2153Ca -0.04 1.30 0.02 0.00 0.00 0.00 0.00 54.97 56.25 1fx6 s GLU 2153Cb -0.15 -3.56 0.04 0.00 2.00 0.00 0.00 34.13 32.46 1fx6 s GLU 2153CO 0.02 -0.34 1.01 2.89 -0.56 0.00 0.00 175.26 178.27 1fx6 n ARG 2154N 5.17 0.17 0.00 4.30 -4.01 -1.26 -0.55 116.66 120.48 1fx6 n ARG 2154Ca 0.08 -1.18 0.00 0.00 -1.04 0.00 0.00 57.85 55.71 1fx6 n ARG 2154Cb 0.48 -0.63 0.00 0.00 -3.04 0.00 0.00 32.46 29.28 1fx6 n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fx6 n GLY 2155N -0.18 1.77 3.15 2.89 0.00 -1.26 -3.90 105.19 107.66 1fx6 n GLY 2155Ca 0.02 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 1fx6 n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fx6 s THR 2156N -2.86 1.17 -0.02 2.61 2.01 0.61 -4.30 115.64 114.86 1fx6 s THR 2156Ca 0.00 -1.03 -0.34 0.00 0.31 0.00 0.00 61.69 60.63 1fx6 s THR 2156Cb 0.00 -1.05 -0.12 0.00 0.01 0.00 0.00 72.50 71.33 1fx6 s THR 2156CO 0.00 0.02 1.81 0.41 -0.69 0.00 0.00 174.62 176.17 1fx6 n THR 2157N 1.87 0.45 -3.67 -0.82 -1.04 -0.35 -1.42 114.28 109.30 1fx6 n THR 2157Ca -0.18 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.05 61.47 1fx6 n THR 2157Cb 0.55 -1.81 -0.12 0.00 -1.82 0.00 0.00 70.33 67.12 1fx6 n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fx6 s PHE 2158N 3.31 2.17 0.00 -1.42 5.36 -0.16 -4.86 117.98 122.37 1fx6 s PHE 2158Ca 0.89 -2.65 0.00 0.00 -0.96 0.00 0.00 56.93 54.21 1fx6 s PHE 2158Cb -0.68 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 1fx6 s PHE 2158CO 0.48 -0.73 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 1fx6 n GLY 2159N 2.90 -0.68 3.88 13.12 0.00 -1.26 -4.37 105.19 118.79 1fx6 n GLY 2159Ca 0.18 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 1fx6 n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fx6 s TYR 2160N 0.00 3.59 -1.51 1.61 2.02 -1.26 -4.44 117.35 117.36 1fx6 s TYR 2160Ca 0.00 0.60 -0.15 0.00 -0.37 0.00 0.00 57.07 57.16 1fx6 s TYR 2160Cb 0.00 -2.01 0.12 0.00 -0.40 0.00 0.00 41.96 39.67 1fx6 s TYR 2160CO 0.00 0.62 0.71 0.09 -1.57 0.00 0.00 175.55 175.40 1fx6 n ASN 2161N 1.21 -3.71 -3.70 2.29 3.02 -1.26 -4.94 115.26 108.16 1fx6 n ASN 2161Ca -0.12 -0.74 -0.13 0.00 -0.03 0.00 0.00 54.58 53.57 1fx6 n ASN 2161Cb 0.53 -3.04 -0.09 0.00 -0.61 0.00 0.00 39.78 36.57 1fx6 n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fx6 s ASN 2162N -3.07 -0.54 0.01 6.41 3.04 -1.26 -5.09 114.94 114.44 1fx6 s ASN 2162Ca 0.61 1.01 0.08 0.00 0.04 0.00 0.00 52.86 54.60 1fx6 s ASN 2162Cb -0.32 1.00 -0.02 0.00 -1.54 0.00 0.00 41.25 40.36 1fx6 s ASN 2162CO 0.75 -0.18 -0.25 -0.76 -3.04 0.00 0.00 177.10 173.62 1fx6 s LEU 2163N 0.48 2.10 0.10 3.21 1.43 -1.26 -0.99 118.68 123.74 1fx6 s LEU 2163Ca -0.02 -0.50 0.10 0.00 -1.03 0.00 0.00 54.13 52.69 1fx6 s LEU 2163Cb -0.04 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 1fx6 s LEU 2163CO -0.02 0.27 -0.26 0.54 0.23 0.00 0.00 176.35 177.11 1fx6 s VAL 2164N -0.67 2.14 -0.32 -1.59 0.11 -0.51 -4.85 120.40 114.71 1fx6 s VAL 2164Ca 0.10 -1.62 -0.11 0.00 -2.93 0.00 0.00 61.98 57.42 1fx6 s VAL 2164Cb -0.09 -1.89 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 1fx6 s VAL 2164CO 0.00 0.14 0.18 -0.69 -3.33 0.00 0.00 175.10 171.41 1fx6 s VAL 2165N -1.00 4.77 -0.68 2.04 1.01 -1.26 -0.28 120.40 125.00 1fx6 s VAL 2165Ca 0.12 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1fx6 s VAL 2165Cb -0.10 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 32.96 1fx6 s VAL 2165CO 0.05 0.02 0.73 -0.62 0.00 0.00 0.00 175.10 175.27 1fx6 s ASP 2166N 1.64 6.38 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.76 1fx6 s ASP 2166Ca 0.05 -1.89 0.04 0.00 -0.52 0.00 0.00 52.55 50.23 1fx6 s ASP 2166Cb -0.17 -2.27 0.23 0.00 -1.46 0.00 0.00 42.92 39.24 1fx6 s ASP 2166CO 0.07 -0.93 0.84 0.49 0.52 0.00 0.00 175.17 176.17 1fx6 n PHE 2167N 5.56 0.00 0.25 -5.34 3.01 -1.26 -1.43 117.46 118.25 1fx6 n PHE 2167Ca -0.01 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.59 1fx6 n PHE 2167Cb 0.44 -0.14 0.59 0.00 -0.01 0.00 0.00 39.48 40.35 1fx6 n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fx6 h ARG 2168N 0.00 0.00 -0.11 -1.08 3.08 -2.04 -3.03 114.38 111.21 1fx6 h ARG 2168Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1fx6 h ARG 2168Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1fx6 h ARG 2168CO 0.00 0.10 -0.24 0.66 -1.07 0.00 0.00 179.97 179.42 1fx6 h SER 2169N 0.00 0.18 0.51 7.04 4.64 -1.67 -3.08 113.55 121.17 1fx6 h SER 2169Ca -0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1fx6 h SER 2169Cb 0.60 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1fx6 h SER 2169CO 0.01 0.43 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.94 1fx6 h LEU 2170N 0.17 -1.03 -1.09 5.97 4.07 -1.76 0.10 115.31 121.75 1fx6 h LEU 2170Ca 0.03 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1fx6 h LEU 2170Cb 0.52 0.33 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 1fx6 h LEU 2170CO 0.04 -0.57 -0.04 1.55 -1.08 0.00 0.00 178.44 178.33 1fx6 h PRO 2171N -0.88 0.59 0.35 1.13 0.13 -1.76 -1.94 132.00 129.61 1fx6 h PRO 2171Ca -0.05 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1fx6 h PRO 2171Cb 0.75 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1fx6 h PRO 2171CO 0.00 0.65 -0.17 0.82 -0.23 0.00 0.00 178.00 179.07 1fx6 h ILE 2172N 0.56 0.67 0.00 -3.56 2.04 -1.42 -3.02 117.51 112.78 1fx6 h ILE 2172Ca 0.11 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1fx6 h ILE 2172Cb 0.42 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1fx6 h ILE 2172CO 0.02 0.04 -0.12 0.24 0.00 0.00 0.00 178.15 178.33 1fx6 h MET 2173N -0.58 0.00 0.00 2.37 2.86 -0.73 -2.60 114.93 116.24 1fx6 h MET 2173Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1fx6 h MET 2173Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1fx6 h MET 2173CO 0.08 0.12 0.00 -0.22 1.06 0.00 0.00 176.91 177.95 1fx6 h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.21 -2.56 116.57 116.15 1fx6 h LYS 2174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1fx6 h LYS 2174Cb 0.33 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1fx6 h LYS 2174CO 0.02 0.00 -0.14 1.96 -3.45 0.00 0.00 179.45 177.84 1fx6 h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.52 -3.32 115.11 116.37 1fx6 h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fx6 h GLN 2175Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1fx6 h GLN 2175CO 0.00 0.14 0.00 -2.67 -0.67 0.00 0.00 178.83 175.63 1fx6 n TRP 2176N -3.56 0.00 -3.55 2.96 2.14 -0.99 -5.11 117.44 109.34 1fx6 n TRP 2176Ca -0.01 -0.05 -0.07 0.00 2.07 0.00 0.00 57.50 59.44 1fx6 n TRP 2176Cb 0.28 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.75 1fx6 n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fx6 s ALA 2177N -0.09 -1.93 0.48 -1.67 0.00 -1.05 -4.99 121.76 112.51 1fx6 s ALA 2177Ca 0.00 1.29 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 1fx6 s ALA 2177Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.16 1fx6 s ALA 2177CO 0.00 -0.62 1.19 0.15 0.00 0.00 0.00 175.76 176.48 1fx6 s LYS 2178N -2.69 3.62 -0.14 0.00 1.02 -1.15 -4.04 119.74 116.36 1fx6 s LYS 2178Ca 0.06 1.83 0.00 0.00 0.02 0.00 0.00 55.97 57.89 1fx6 s LYS 2178Cb -0.01 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1fx6 s LYS 2178CO -0.07 -0.68 -0.14 0.08 -0.92 0.00 0.00 175.35 173.62 1fx6 s VAL 2179N -1.53 2.86 0.03 3.17 1.01 -1.26 -1.14 120.40 123.55 1fx6 s VAL 2179Ca 0.66 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1fx6 s VAL 2179Cb -0.30 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1fx6 s VAL 2179CO 0.36 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 175.23 1fx6 s ILE 2180N 0.52 3.26 -0.21 2.22 -1.09 0.01 0.29 121.20 126.21 1fx6 s ILE 2180Ca -0.09 -1.01 -0.05 0.00 -2.23 0.00 0.00 60.65 57.27 1fx6 s ILE 2180Cb -0.16 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1fx6 s ILE 2180CO 0.04 0.33 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.60 1fx6 s TYR 2181N -1.00 3.01 -0.59 3.97 5.04 -0.53 -0.34 117.35 126.91 1fx6 s TYR 2181Ca 0.17 -0.60 -0.23 0.00 -2.44 0.00 0.00 57.07 53.97 1fx6 s TYR 2181Cb -0.11 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.15 1fx6 s TYR 2181CO 0.08 -0.35 0.91 0.34 -1.34 0.00 0.00 175.55 175.19 1fx6 s ASP 2182N 1.21 6.25 0.44 4.32 -1.08 0.29 0.27 116.67 128.37 1fx6 s ASP 2182Ca 0.03 -0.71 0.24 0.00 -0.52 0.00 0.00 52.55 51.59 1fx6 s ASP 2182Cb -0.15 -2.41 0.60 0.00 -1.46 0.00 0.00 42.92 39.50 1fx6 s ASP 2182CO 0.01 -1.29 1.69 0.00 0.52 0.00 0.00 175.17 176.10 1fx6 h ALA 2183N 9.39 0.95 0.00 3.66 0.00 -1.46 -3.16 119.26 128.63 1fx6 h ALA 2183Ca -0.28 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1fx6 h ALA 2183Cb 1.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1fx6 h ALA 2183CO 1.12 0.14 -2.11 0.25 0.00 0.00 0.00 179.25 178.65 1fx6 n THR 2184N -3.16 0.78 0.74 0.00 -2.24 -1.26 -4.40 114.28 104.74 1fx6 n THR 2184Ca 0.02 -0.69 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 1fx6 n THR 2184Cb 0.50 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 1fx6 n THR 2184CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1fx6 n HIS 2185N -2.56 0.10 0.43 4.78 8.25 -1.26 -4.25 115.22 120.71 1fx6 n HIS 2185Ca -0.18 0.03 0.13 0.00 -0.26 0.00 0.00 57.72 57.44 1fx6 n HIS 2185Cb 0.87 -0.25 0.39 0.00 1.12 0.00 0.00 29.99 32.12 1fx6 n HIS 2185CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1fx6 h SER 2186N 0.00 0.00 0.00 0.41 0.02 -1.66 -3.45 113.55 108.87 1fx6 h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fx6 h SER 2186Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1fx6 h SER 2186CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 1fx6 n VAL 2187N -2.60 0.00 0.01 2.27 0.24 -1.26 -4.65 118.33 112.34 1fx6 n VAL 2187Ca 0.04 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.37 1fx6 n VAL 2187Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.67 1fx6 n VAL 2187CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1fx6 n ARG 2201N 0.00 0.64 0.28 7.34 0.63 -1.26 -4.96 116.66 119.33 1fx6 n ARG 2201Ca 0.00 0.05 0.19 0.00 -0.92 0.00 0.00 57.85 57.17 1fx6 n ARG 2201Cb 0.00 -1.68 0.90 0.00 0.45 0.00 0.00 32.46 32.12 1fx6 n ARG 2201CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1fx6 h GLU 2202N 0.00 0.00 -0.02 -0.14 4.11 -1.99 -2.70 114.58 113.84 1fx6 h GLU 2202Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1fx6 h GLU 2202Cb 1.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1fx6 h GLU 2202CO 0.02 0.00 -0.26 1.19 0.07 0.00 0.00 179.01 180.03 1fx6 n PHE 2203N -2.92 0.00 0.32 2.06 3.72 -1.26 -4.56 117.46 114.82 1fx6 n PHE 2203Ca -0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 1fx6 n PHE 2203Cb 0.16 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.62 1fx6 n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1fx6 h ILE 2204N 3.22 0.44 -0.18 4.37 2.04 -1.76 -2.51 117.51 123.13 1fx6 h ILE 2204Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1fx6 h ILE 2204Cb 0.82 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1fx6 h ILE 2204CO 0.00 0.00 0.04 0.15 0.00 0.00 0.00 178.15 178.35 1fx6 h PHE 2205N -0.78 0.31 -0.81 1.37 -0.00 -1.81 -1.61 116.94 113.61 1fx6 h PHE 2205Ca -0.08 -0.04 0.11 0.00 -0.00 0.00 0.00 57.97 57.97 1fx6 h PHE 2205Cb 0.59 -0.09 -0.08 0.00 -0.00 0.00 0.00 35.95 36.37 1fx6 h PHE 2205CO -0.03 0.42 0.44 -1.35 -0.00 0.00 0.00 178.31 177.79 1fx6 h PRO 2206N 0.11 0.68 0.00 6.41 0.11 -1.80 -1.64 132.00 135.87 1fx6 h PRO 2206Ca 0.06 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 1fx6 h PRO 2206Cb 0.27 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1fx6 h PRO 2206CO 0.00 0.45 -0.75 -0.07 -0.21 0.00 0.00 178.00 177.42 1fx6 h LEU 2207N 0.70 0.00 -0.98 2.35 3.38 -1.28 -2.77 115.31 116.71 1fx6 h LEU 2207Ca 0.41 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.28 1fx6 h LEU 2207Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1fx6 h LEU 2207CO -0.29 0.75 -0.45 -0.29 0.09 0.00 0.00 178.44 178.25 1fx6 h ILE 2208N 0.00 1.33 -0.43 1.22 2.10 -0.76 -1.86 117.51 119.11 1fx6 h ILE 2208Ca -0.01 -1.58 -0.08 0.00 1.08 0.00 0.00 64.86 64.27 1fx6 h ILE 2208Cb 1.34 1.78 -0.01 0.00 -1.09 0.00 0.00 36.82 38.83 1fx6 h ILE 2208CO 0.10 0.46 -0.06 0.03 -1.08 0.00 0.00 178.15 177.60 1fx6 h ARG 2209N 0.11 0.79 -0.85 2.19 3.08 -1.16 -2.77 114.38 115.78 1fx6 h ARG 2209Ca 0.01 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1fx6 h ARG 2209Cb 0.84 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1fx6 h ARG 2209CO 0.06 0.89 0.43 0.00 -1.07 0.00 0.00 179.97 180.29 1fx6 h ALA 2210N 0.87 1.15 -0.53 0.04 0.00 -1.19 -1.55 119.26 118.06 1fx6 h ALA 2210Ca 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fx6 h ALA 2210Cb 0.58 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1fx6 h ALA 2210CO 0.03 0.66 0.35 0.00 0.00 0.00 0.00 179.25 180.29 1fx6 h ALA 2211N 1.26 0.67 0.00 0.00 0.00 -1.19 -0.35 119.26 119.66 1fx6 h ALA 2211Ca 0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1fx6 h ALA 2211Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1fx6 h ALA 2211CO -0.04 0.10 -0.35 -0.39 0.00 0.00 0.00 179.25 178.57 1fx6 h VAL 2212N 0.70 0.68 -0.22 0.00 -1.51 -1.32 0.22 116.25 114.79 1fx6 h VAL 2212Ca 0.20 -1.68 -0.15 0.00 -1.23 0.00 0.00 66.70 63.84 1fx6 h VAL 2212Cb -0.07 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1fx6 h VAL 2212CO -0.05 0.34 -0.48 0.00 -1.23 0.00 0.00 177.57 176.16 1fx6 h ALA 2213N 1.65 0.74 0.01 5.19 0.00 -0.78 -3.21 119.26 122.86 1fx6 h ALA 2213Ca -0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1fx6 h ALA 2213Cb 1.10 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1fx6 h ALA 2213CO 0.05 0.67 -0.43 0.28 0.00 0.00 0.00 179.25 179.81 1fx6 h VAL 2214N 0.47 1.50 0.00 0.00 2.07 -0.92 -3.47 116.25 115.90 1fx6 h VAL 2214Ca 0.02 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1fx6 h VAL 2214Cb 1.01 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1fx6 h VAL 2214CO 0.09 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.87 1fx6 n GLY 2215N 1.12 3.33 3.41 2.17 0.00 0.05 -4.83 105.19 110.44 1fx6 n GLY 2215Ca -0.10 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1fx6 n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fx6 n ASP 2217N -0.26 1.54 0.00 0.00 8.00 0.15 -4.98 116.55 120.99 1fx6 n ASP 2217Ca -0.10 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.03 1fx6 n ASP 2217Cb 0.63 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 1fx6 n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fx6 n GLY 2218N 1.26 0.97 3.33 0.44 0.00 -1.16 -1.58 105.19 108.44 1fx6 n GLY 2218Ca 0.16 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 1fx6 n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fx6 s VAL 2219N -2.00 1.90 -0.17 1.61 1.01 -0.25 -1.45 120.40 121.05 1fx6 s VAL 2219Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1fx6 s VAL 2219Cb 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1fx6 s VAL 2219CO 0.00 -0.08 -0.19 0.12 0.00 0.00 0.00 175.10 174.95 1fx6 s PHE 2220N -1.34 2.65 -0.04 5.22 2.19 0.14 -1.50 117.98 125.30 1fx6 s PHE 2220Ca 0.11 -1.51 0.01 0.00 0.33 0.00 0.00 56.93 55.87 1fx6 s PHE 2220Cb -0.09 -1.84 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 1fx6 s PHE 2220CO 0.05 -0.74 -0.02 -1.64 1.83 0.00 0.00 175.22 174.70 1fx6 s MET 2221N 1.22 0.55 -0.17 10.12 -1.94 -0.28 -1.22 119.30 127.59 1fx6 s MET 2221Ca 0.02 -0.01 -0.20 0.00 -1.71 0.00 0.00 55.69 53.80 1fx6 s MET 2221Cb -0.13 -0.64 -0.03 0.00 2.01 0.00 0.00 34.83 36.03 1fx6 s MET 2221CO -0.10 -0.10 0.56 -1.21 -0.01 0.00 0.00 175.02 174.15 1fx6 s GLU 2222N 0.94 4.25 0.08 2.03 2.02 -1.26 -2.69 118.70 124.07 1fx6 s GLU 2222Ca -0.11 0.52 0.06 0.00 0.02 0.00 0.00 54.97 55.46 1fx6 s GLU 2222Cb -0.14 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 1fx6 s GLU 2222CO -0.01 -0.10 -0.15 -0.08 0.02 0.00 0.00 175.26 174.95 1fx6 s THR 2223N 1.45 1.21 -0.20 3.63 -1.32 0.75 -0.05 115.64 121.11 1fx6 s THR 2223Ca 0.27 -1.40 -0.18 0.00 -1.21 0.00 0.00 61.69 59.17 1fx6 s THR 2223Cb -0.16 -1.20 0.05 0.00 -1.51 0.00 0.00 72.50 69.69 1fx6 s THR 2223CO 0.11 -0.24 0.54 -2.28 -2.21 0.00 0.00 174.62 170.53 1fx6 s HIS 2224N -1.41 -0.62 0.19 9.09 5.04 -0.07 -2.13 115.29 125.38 1fx6 s HIS 2224Ca 0.01 1.47 -0.22 0.00 -1.54 0.00 0.00 55.06 54.78 1fx6 s HIS 2224Cb -0.09 0.23 0.11 0.00 0.04 0.00 0.00 32.58 32.87 1fx6 s HIS 2224CO 0.03 -0.30 1.58 -1.35 -2.34 0.00 0.00 174.74 172.35 1fx6 h PRO 2225N 5.52 -0.16 -2.73 2.88 0.11 -1.94 -2.15 132.00 133.54 1fx6 h PRO 2225Ca -0.29 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.23 1fx6 h PRO 2225Cb 1.18 0.04 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 1fx6 h PRO 2225CO 0.17 -0.11 -0.77 -1.21 -0.21 0.00 0.00 178.00 175.87 1fx6 s GLU 2226N -5.96 1.67 0.36 1.05 2.02 -1.26 -4.33 118.70 112.25 1fx6 s GLU 2226Ca -0.14 -2.71 0.18 0.00 0.02 0.00 0.00 54.97 52.31 1fx6 s GLU 2226Cb 0.16 -2.41 1.20 0.00 0.10 0.00 0.00 34.13 33.17 1fx6 s GLU 2226CO 0.69 -1.33 1.63 -1.35 0.02 0.00 0.00 175.26 174.92 1fx6 h PRO 2227N 5.54 0.19 0.00 0.39 0.11 -1.85 0.12 132.00 136.50 1fx6 h PRO 2227Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1fx6 h PRO 2227Cb 0.83 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1fx6 h PRO 2227CO 0.54 0.13 0.00 -0.85 -0.21 0.00 0.00 178.00 177.61 1fx6 n GLU 2228N -5.10 0.45 0.00 1.05 0.28 -1.26 -1.94 120.64 114.12 1fx6 n GLU 2228Ca 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 1fx6 n GLU 2228Cb 1.12 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.91 1fx6 n GLU 2228CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1fx6 n LYS 2229N -0.57 1.44 -2.04 3.44 5.02 0.41 -5.07 118.16 120.78 1fx6 n LYS 2229Ca 0.02 -0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 55.84 1fx6 n LYS 2229Cb 0.01 -0.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.65 1fx6 n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fx6 s ALA 2230N -0.22 3.52 -0.00 7.82 0.00 -0.82 -4.88 121.76 127.18 1fx6 s ALA 2230Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1fx6 s ALA 2230Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1fx6 s ALA 2230CO 0.00 -0.73 1.32 1.28 0.00 0.00 0.00 175.76 177.63 1fx6 n LEU 2231N 0.87 3.75 0.00 0.00 4.77 -1.26 -4.50 117.00 120.63 1fx6 n LEU 2231Ca 0.01 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 1fx6 n LEU 2231Cb 0.41 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1fx6 n LEU 2231CO 0.60 0.66 0.00 -0.24 -1.33 0.00 0.00 177.39 177.08 1fx6 n SER 2232N 0.81 0.00 -3.96 -1.43 2.88 -1.26 -4.76 113.62 105.90 1fx6 n SER 2232Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1fx6 n SER 2232Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.92 1fx6 n SER 2232CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1fx6 n ASP 2233N 0.00 -0.76 0.18 -3.46 8.00 -1.26 -4.80 116.55 114.46 1fx6 n ASP 2233Ca 0.00 -1.02 0.14 0.00 0.71 0.00 0.00 54.79 54.62 1fx6 n ASP 2233Cb 0.00 -1.25 0.49 0.00 -0.02 0.00 0.00 41.12 40.34 1fx6 n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fx6 h ALA 2234N 1.42 1.00 -0.06 2.24 0.00 -1.79 -1.34 119.26 120.72 1fx6 h ALA 2234Ca -0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1fx6 h ALA 2234Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fx6 h ALA 2234CO 0.50 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.18 1fx6 n SER 2235N -2.62 2.50 0.00 0.00 7.64 -1.26 -4.25 113.62 115.63 1fx6 n SER 2235Ca 0.03 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1fx6 n SER 2235Cb 0.33 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1fx6 n SER 2235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1fx6 n THR 2236N 0.94 0.00 -1.65 0.44 -2.24 -1.10 -3.99 114.28 106.69 1fx6 n THR 2236Ca 0.16 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.44 1fx6 n THR 2236Cb 0.51 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1fx6 n THR 2236CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fx6 n GLN 2237N -1.65 1.66 -2.15 -0.78 6.02 -0.52 -4.91 117.38 115.05 1fx6 n GLN 2237Ca 0.00 0.60 -0.41 0.00 -0.01 0.00 0.00 57.00 57.18 1fx6 n GLN 2237Cb 0.24 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.15 1fx6 n GLN 2237CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1fx6 s LEU 2238N 1.57 4.42 0.10 1.08 2.96 0.93 -4.73 118.68 125.00 1fx6 s LEU 2238Ca 0.85 2.55 -0.31 0.00 -0.22 0.00 0.00 54.13 57.00 1fx6 s LEU 2238Cb -0.83 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.15 1fx6 s LEU 2238CO 0.47 -0.55 1.48 -2.84 -1.32 0.00 0.00 176.35 173.59 1fx6 s PRO 2239N -0.75 4.27 0.28 0.98 0.02 -1.26 -0.89 135.00 137.65 1fx6 s PRO 2239Ca 0.54 2.17 -0.08 0.00 0.02 0.00 0.00 61.00 63.66 1fx6 s PRO 2239Cb -0.39 -3.34 0.47 0.00 0.02 0.00 0.00 34.50 31.27 1fx6 s PRO 2239CO 0.44 -0.55 1.56 1.25 -0.33 0.00 0.00 177.00 179.37 1fx6 h LEU 2240N 7.34 -0.88 -2.13 -5.54 6.46 -1.58 0.40 115.31 119.38 1fx6 h LEU 2240Ca -0.42 0.29 0.08 0.00 -0.12 0.00 0.00 57.88 57.71 1fx6 h LEU 2240Cb 1.20 0.60 -0.01 0.00 -0.73 0.00 0.00 40.66 41.72 1fx6 h LEU 2240CO 0.89 -0.33 0.29 0.77 -0.62 0.00 0.00 178.44 179.45 1fx6 h SER 2241N 0.00 0.00 0.62 1.25 4.64 -1.88 -2.10 113.55 116.08 1fx6 h SER 2241Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1fx6 h SER 2241Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1fx6 h SER 2241CO -1.00 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 174.58 1fx6 n GLN 2242N -3.78 0.01 0.02 4.77 6.02 0.13 -4.39 117.38 120.15 1fx6 n GLN 2242Ca 0.04 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 1fx6 n GLN 2242Cb 0.43 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 1fx6 n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fx6 h LEU 2243N 0.01 -0.22 -0.29 1.08 5.85 -1.44 -2.85 115.31 117.45 1fx6 h LEU 2243Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1fx6 h LEU 2243Cb 0.50 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1fx6 h LEU 2243CO 0.00 -0.10 -0.12 -0.08 -0.34 0.00 0.00 178.44 177.80 1fx6 h GLU 2244N -0.09 -0.06 -0.61 1.25 4.81 -1.79 -0.86 114.58 117.23 1fx6 h GLU 2244Ca 0.05 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1fx6 h GLU 2244Cb 0.16 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1fx6 h GLU 2244CO -0.13 -0.04 0.40 0.78 -0.73 0.00 0.00 179.01 179.29 1fx6 h GLY 2245N -0.07 0.84 1.61 1.92 0.00 -1.82 -0.81 103.07 104.75 1fx6 h GLY 2245Ca 0.15 -0.31 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 1fx6 h GLY 2245CO -0.34 0.29 -0.80 -2.22 0.00 0.00 0.00 176.54 173.47 1fx6 h ILE 2246N 0.79 1.40 -0.28 2.60 2.04 -1.18 -2.00 117.51 120.89 1fx6 h ILE 2246Ca 0.23 -2.28 -0.06 0.00 1.00 0.00 0.00 64.86 63.75 1fx6 h ILE 2246Cb -0.05 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1fx6 h ILE 2246CO -0.05 0.68 -0.04 0.40 0.00 0.00 0.00 178.15 179.13 1fx6 h ILE 2247N 0.24 1.27 -0.51 -0.67 2.04 -0.57 -1.43 117.51 117.88 1fx6 h ILE 2247Ca -0.04 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.79 1fx6 h ILE 2247Cb 1.40 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1fx6 h ILE 2247CO 0.14 0.33 0.33 -0.08 0.00 0.00 0.00 178.15 178.86 1fx6 h GLU 2248N 0.28 0.64 -0.40 2.37 4.57 -1.18 -1.56 114.58 119.31 1fx6 h GLU 2248Ca 0.07 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1fx6 h GLU 2248Cb 0.50 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1fx6 h GLU 2248CO 0.02 0.43 0.20 0.00 -1.18 0.00 0.00 179.01 178.48 1fx6 h ALA 2249N 1.20 0.49 0.00 2.92 0.00 -1.15 -1.82 119.26 120.91 1fx6 h ALA 2249Ca 0.19 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1fx6 h ALA 2249Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1fx6 h ALA 2249CO -0.06 -0.16 -0.46 -0.84 0.00 0.00 0.00 179.25 177.73 1fx6 h ILE 2250N 0.40 1.02 -0.36 0.00 3.07 -1.03 -2.19 117.51 118.42 1fx6 h ILE 2250Ca 0.17 -1.79 -0.15 0.00 1.55 0.00 0.00 64.86 64.64 1fx6 h ILE 2250Cb 0.08 2.06 -0.01 0.00 -0.27 0.00 0.00 36.82 38.68 1fx6 h ILE 2250CO -0.12 0.45 -0.36 -0.07 -1.05 0.00 0.00 178.15 177.00 1fx6 h LEU 2251N 0.00 0.88 -0.36 0.16 3.38 -0.91 -0.60 115.31 117.86 1fx6 h LEU 2251Ca -0.00 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1fx6 h LEU 2251Cb 1.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1fx6 h LEU 2251CO 0.06 1.15 -0.01 -0.33 0.09 0.00 0.00 178.44 179.40 1fx6 h GLU 2252N 0.69 0.65 -0.31 1.13 5.08 -1.19 -0.44 114.58 120.19 1fx6 h GLU 2252Ca 0.06 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1fx6 h GLU 2252Cb 0.93 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1fx6 h GLU 2252CO 0.09 0.76 0.04 0.82 -1.00 0.00 0.00 179.01 179.71 1fx6 h ILE 2253N 0.46 1.24 -0.07 3.13 2.04 -1.34 -2.77 117.51 120.21 1fx6 h ILE 2253Ca 0.10 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1fx6 h ILE 2253Cb 0.47 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1fx6 h ILE 2253CO 0.02 0.28 -0.14 -0.09 0.00 0.00 0.00 178.15 178.22 1fx6 h ARG 2254N 0.34 -0.19 -0.77 2.37 2.43 -1.05 0.32 114.38 117.83 1fx6 h ARG 2254Ca 0.09 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 1fx6 h ARG 2254Cb 0.37 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.86 1fx6 h ARG 2254CO 0.01 -0.12 0.25 1.49 -1.51 0.00 0.00 179.97 180.09 1fx6 h GLU 2255N -0.19 0.34 0.09 0.20 4.22 -0.94 0.60 114.58 118.89 1fx6 h GLU 2255Ca 0.07 -0.02 -0.22 0.00 0.08 0.00 0.00 59.36 59.27 1fx6 h GLU 2255Cb 0.29 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1fx6 h GLU 2255CO -0.18 0.22 -0.91 0.28 -2.18 0.00 0.00 179.01 176.24 1fx6 h VAL 2256N 0.35 1.39 -0.02 0.32 2.07 -1.17 -3.36 116.25 115.83 1fx6 h VAL 2256Ca 0.44 -2.35 -0.17 0.00 0.82 0.00 0.00 66.70 65.43 1fx6 h VAL 2256Cb 0.74 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1fx6 h VAL 2256CO -0.48 0.69 -0.76 0.00 0.02 0.00 0.00 177.57 177.04 1fx6 h ALA 2257N 0.24 0.68 -0.82 1.67 0.00 0.30 -3.26 119.26 118.07 1fx6 h ALA 2257Ca -0.14 -0.66 0.24 0.00 0.00 0.00 0.00 54.91 54.35 1fx6 h ALA 2257Cb 1.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1fx6 h ALA 2257CO 0.18 0.86 0.67 0.66 0.00 0.00 0.00 179.25 181.62 1fx6 h SER 2258N 0.10 0.00 -0.37 0.00 4.64 0.02 0.25 113.55 118.19 1fx6 h SER 2258Ca -0.02 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.40 1fx6 h SER 2258Cb 1.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1fx6 h SER 2258CO 0.11 0.00 0.27 0.50 -0.87 0.00 0.00 176.83 176.84 1fx6 h LYS 2259N 0.00 0.00 -0.23 4.77 3.64 -1.77 -2.56 116.57 120.42 1fx6 h LYS 2259Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1fx6 h LYS 2259Cb 1.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1fx6 h LYS 2259CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1fx6 n TYR 2260N -4.40 0.29 -1.77 1.91 4.02 0.88 -4.98 117.16 113.11 1fx6 n TYR 2260Ca 0.06 -0.18 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 1fx6 n TYR 2260Cb 0.45 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.74 1fx6 n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1fx6 s TYR 2261N -1.38 2.71 0.47 -0.72 2.02 -0.97 -4.93 117.35 114.55 1fx6 s TYR 2261Ca 0.29 0.29 -0.24 0.00 -0.37 0.00 0.00 57.07 57.04 1fx6 s TYR 2261Cb 0.18 -4.11 -0.07 0.00 -0.40 0.00 0.00 41.96 37.56 1fx6 s TYR 2261CO 0.25 -4.30 1.26 -1.21 -1.57 0.00 0.00 175.55 169.98 1fx6 s GLU 2262N 1.64 3.66 0.01 -0.62 8.01 -1.26 -4.94 118.70 125.20 1fx6 s GLU 2262Ca 0.76 2.01 -0.30 0.00 0.01 0.00 0.00 54.97 57.44 1fx6 s GLU 2262Cb -0.47 -2.47 -0.07 0.00 -4.31 0.00 0.00 34.13 26.81 1fx6 s GLU 2262CO 0.33 -0.70 1.56 0.99 0.01 0.00 0.00 175.26 177.45 1fx6 s THR 2263N -1.39 3.41 0.00 3.63 2.01 -1.26 -5.16 115.64 116.87 1fx6 s THR 2263Ca 0.64 0.76 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1fx6 s THR 2263Cb -0.35 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1fx6 s THR 2263CO 0.42 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.33