#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fxp s PHE 2004N 0.00 3.42 -0.09 5.58 2.19 -1.24 -4.77 117.98 123.07 1fxp s PHE 2004Ca 0.00 1.39 -0.15 0.00 0.33 0.00 0.00 56.93 58.50 1fxp s PHE 2004Cb 0.00 -3.44 -0.05 0.00 -1.31 0.00 0.00 43.02 38.22 1fxp s PHE 2004CO 0.00 -1.26 0.37 -1.17 1.83 0.00 0.00 175.22 175.00 1fxp s LEU 2005N -0.02 4.33 -0.23 6.12 2.96 -0.77 -0.92 118.68 130.16 1fxp s LEU 2005Ca 0.54 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1fxp s LEU 2005Cb -0.32 -2.52 0.06 0.00 0.50 0.00 0.00 46.19 43.91 1fxp s LEU 2005CO 0.35 0.16 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.84 1fxp s VAL 2006N -0.06 1.26 -0.26 1.68 1.01 -0.59 -0.71 120.40 122.73 1fxp s VAL 2006Ca 0.21 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1fxp s VAL 2006Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1fxp s VAL 2006CO 0.09 -0.19 0.13 -0.63 0.00 0.00 0.00 175.10 174.50 1fxp s ILE 2007N 1.51 4.86 0.12 2.22 1.01 0.03 -1.59 121.20 129.36 1fxp s ILE 2007Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1fxp s ILE 2007Cb -0.18 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.01 1fxp s ILE 2007CO -0.08 0.30 0.32 0.00 0.00 0.00 0.00 174.94 175.48 1fxp s ALA 2008N 1.62 -0.56 0.00 9.38 0.00 -0.73 -0.48 121.76 131.00 1fxp s ALA 2008Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1fxp s ALA 2008Cb -0.15 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1fxp s ALA 2008CO 0.07 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1fxp n GLY 2009N -0.17 0.86 3.77 0.00 0.00 -1.20 -1.14 105.19 107.31 1fxp n GLY 2009Ca -0.14 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 1fxp n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fxp s PRO 2010N -1.90 4.00 0.15 1.61 0.04 -1.07 -1.22 135.00 136.61 1fxp s PRO 2010Ca 0.00 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 1fxp s PRO 2010Cb 0.00 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1fxp s PRO 2010CO 0.00 -0.36 1.59 0.00 0.04 0.00 0.00 177.00 178.27 1fxp s ALA 2012N -5.91 2.53 -1.24 0.00 0.00 -1.26 -1.20 121.76 114.67 1fxp s ALA 2012Ca -0.15 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.01 1fxp s ALA 2012Cb 0.11 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1fxp s ALA 2012CO 0.65 0.45 1.70 0.42 0.00 0.00 0.00 175.76 178.99 1fxp s ILE 2013N -1.58 4.05 0.24 0.00 1.01 -0.20 -4.73 121.20 119.99 1fxp s ILE 2013Ca 0.20 -1.64 0.35 0.00 0.00 0.00 0.00 60.65 59.56 1fxp s ILE 2013Cb -0.08 -5.13 0.39 0.00 0.01 0.00 0.00 42.46 37.65 1fxp s ILE 2013CO 0.09 -1.94 2.07 -0.33 0.00 0.00 0.00 174.94 174.83 1fxp h GLU 2014N 8.13 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 125.21 1fxp h GLU 2014Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1fxp h GLU 2014Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1fxp h GLU 2014CO 1.44 0.02 0.00 -1.13 -1.00 0.00 0.00 179.01 178.33 1fxp n SER 2015N -3.13 0.00 0.33 1.42 3.41 -1.26 -4.97 113.62 109.43 1fxp n SER 2015Ca -0.00 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.82 1fxp n SER 2015Cb 0.26 0.00 1.15 0.00 -0.26 0.00 0.00 64.21 65.36 1fxp n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fxp h GLU 2016N 0.00 0.00 -0.16 4.33 4.11 -1.93 -0.58 114.58 120.35 1fxp h GLU 2016Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1fxp h GLU 2016Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1fxp h GLU 2016CO 0.00 0.00 0.03 1.49 0.07 0.00 0.00 179.01 180.60 1fxp h GLU 2017N 0.00 0.27 -0.65 1.06 4.81 -1.98 -1.27 114.58 116.83 1fxp h GLU 2017Ca 0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1fxp h GLU 2017Cb 0.09 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1fxp h GLU 2017CO -0.00 0.43 0.24 1.25 -0.73 0.00 0.00 179.01 180.19 1fxp h LEU 2018N 0.06 0.91 -1.13 1.64 5.85 -1.49 -2.61 115.31 118.54 1fxp h LEU 2018Ca 0.05 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1fxp h LEU 2018Cb 0.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1fxp h LEU 2018CO 0.00 0.85 0.59 -0.07 -0.34 0.00 0.00 178.44 179.47 1fxp h LEU 2019N 0.92 1.00 -0.50 2.25 3.38 -1.26 -1.90 115.31 119.20 1fxp h LEU 2019Ca 0.21 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1fxp h LEU 2019Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1fxp h LEU 2019CO -0.01 0.71 -0.15 -0.07 0.09 0.00 0.00 178.44 179.00 1fxp h LEU 2020N 1.17 0.99 -0.58 1.67 3.38 -0.94 0.33 115.31 121.33 1fxp h LEU 2020Ca 0.34 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1fxp h LEU 2020Cb -0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1fxp h LEU 2020CO -0.08 1.14 0.17 0.50 0.09 0.00 0.00 178.44 180.26 1fxp h LYS 2021N 0.84 0.91 -0.24 1.13 3.64 -1.10 -0.14 116.57 121.61 1fxp h LYS 2021Ca 0.12 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 1fxp h LYS 2021Cb 0.72 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1fxp h LYS 2021CO 0.06 0.82 -0.33 0.28 -2.27 0.00 0.00 179.45 178.00 1fxp h VAL 2022N 0.82 1.32 -0.22 2.00 2.07 -1.24 -3.00 116.25 117.99 1fxp h VAL 2022Ca 0.19 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.20 1fxp h VAL 2022Cb 0.30 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1fxp h VAL 2022CO -0.00 0.48 0.15 1.23 0.02 0.00 0.00 177.57 179.45 1fxp h GLY 2023N 0.35 0.22 0.99 2.17 0.00 -0.11 -1.12 103.07 105.57 1fxp h GLY 2023Ca 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1fxp h GLY 2023CO 0.08 0.07 0.10 -2.09 0.00 0.00 0.00 176.54 174.70 1fxp h GLU 2024N 0.19 0.86 -0.25 4.80 4.81 -0.88 -0.64 114.58 123.47 1fxp h GLU 2024Ca 0.09 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 58.95 1fxp h GLU 2024Cb 0.13 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1fxp h GLU 2024CO -0.02 0.83 -0.45 1.49 -0.73 0.00 0.00 179.01 180.13 1fxp h GLU 2025N 0.74 0.74 0.00 1.92 4.57 -1.25 -2.27 114.58 119.04 1fxp h GLU 2025Ca 0.16 -0.47 -0.07 0.00 -1.18 0.00 0.00 59.36 57.81 1fxp h GLU 2025Cb 0.38 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1fxp h GLU 2025CO 0.01 1.09 -0.31 0.82 -1.18 0.00 0.00 179.01 179.44 1fxp h ILE 2026N 0.48 1.19 -0.41 2.32 2.04 -1.16 -1.36 117.51 120.61 1fxp h ILE 2026Ca 0.01 -1.08 -0.14 0.00 1.00 0.00 0.00 64.86 64.65 1fxp h ILE 2026Cb 1.06 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1fxp h ILE 2026CO 0.10 0.31 -0.30 0.50 0.00 0.00 0.00 178.15 178.76 1fxp h LYS 2027N 0.00 0.93 -0.49 2.37 1.63 -0.98 0.07 116.57 120.11 1fxp h LYS 2027Ca -0.00 -0.45 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 1fxp h LYS 2027Cb 0.56 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1fxp h LYS 2027CO 0.04 1.11 0.16 -0.09 -3.45 0.00 0.00 179.45 177.21 1fxp h ARG 2028N 0.76 0.75 -0.21 1.90 2.43 -0.78 -1.22 114.38 118.00 1fxp h ARG 2028Ca 0.08 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1fxp h ARG 2028Cb 0.88 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1fxp h ARG 2028CO 0.08 0.71 -0.34 -0.07 -1.51 0.00 0.00 179.97 178.84 1fxp h LEU 2029N 0.65 0.47 -0.92 3.80 -0.00 -1.21 -1.55 115.31 116.55 1fxp h LEU 2029Ca 0.16 -0.18 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 1fxp h LEU 2029Cb 0.26 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.73 1fxp h LEU 2029CO -0.01 0.78 0.58 -1.28 -0.00 0.00 0.00 178.44 178.51 1fxp h SER 2030N 0.39 0.92 1.81 -0.43 0.87 -0.40 0.43 113.55 117.13 1fxp h SER 2030Ca 0.04 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1fxp h SER 2030Cb 0.78 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1fxp h SER 2030CO 0.06 0.58 -0.15 -0.33 -0.53 0.00 0.00 176.83 176.46 1fxp h GLU 2031N 1.05 0.00 0.04 2.24 4.39 -0.84 -3.30 114.58 118.16 1fxp h GLU 2031Ca 0.40 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.81 1fxp h GLU 2031Cb 0.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1fxp h GLU 2031CO -0.17 0.15 -1.57 -0.22 -1.16 0.00 0.00 179.01 176.04 1fxp h LYS 2032N 0.00 0.08 -2.91 2.33 3.64 -0.20 -3.41 116.57 116.10 1fxp h LYS 2032Ca -0.00 -0.13 -0.64 0.00 -1.27 0.00 0.00 60.65 58.60 1fxp h LYS 2032Cb 1.09 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.56 1fxp h LYS 2032CO 0.02 0.78 -0.40 1.19 -2.27 0.00 0.00 179.45 178.77 1fxp n PHE 2033N -3.23 3.55 0.26 1.91 3.01 0.14 -4.87 117.46 118.23 1fxp n PHE 2033Ca -0.15 -4.16 0.05 0.00 1.01 0.00 0.00 57.45 54.20 1fxp n PHE 2033Cb 1.03 -0.76 0.24 0.00 -0.01 0.00 0.00 39.48 39.98 1fxp n PHE 2033CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1fxp n LYS 2034N 1.73 0.04 -0.06 -1.08 4.76 -1.26 -1.24 118.16 121.05 1fxp n LYS 2034Ca 0.23 0.41 0.06 0.00 -2.87 0.00 0.00 58.31 56.14 1fxp n LYS 2034Cb 0.37 -1.59 0.26 0.00 -1.84 0.00 0.00 35.03 32.23 1fxp n LYS 2034CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1fxp n GLU 2035N -1.66 1.35 -4.23 1.97 4.07 -1.26 -4.82 120.64 116.07 1fxp n GLU 2035Ca 0.01 -0.54 -0.17 0.00 -0.06 0.00 0.00 57.16 56.41 1fxp n GLU 2035Cb 0.10 -1.22 -0.13 0.00 -0.06 0.00 0.00 31.44 30.12 1fxp n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1fxp s VAL 2036N -1.84 0.70 -0.38 6.31 1.01 -0.37 -3.61 120.40 122.21 1fxp s VAL 2036Ca 0.20 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1fxp s VAL 2036Cb 0.10 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1fxp s VAL 2036CO 0.15 -0.04 0.24 -0.70 0.00 0.00 0.00 175.10 174.75 1fxp s GLU 2037N -0.83 2.93 0.01 2.72 2.12 -0.10 -4.97 118.70 120.58 1fxp s GLU 2037Ca -0.01 -1.02 -0.18 0.00 0.36 0.00 0.00 54.97 54.11 1fxp s GLU 2037Cb -0.06 -3.83 -0.06 0.00 0.26 0.00 0.00 34.13 30.44 1fxp s GLU 2037CO 0.00 -0.70 0.53 -0.06 -0.54 0.00 0.00 175.26 174.49 1fxp s PHE 2038N 1.61 3.71 -0.11 5.30 0.40 -1.26 -1.55 117.98 126.09 1fxp s PHE 2038Ca 0.03 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 1fxp s PHE 2038Cb -0.19 -2.49 0.02 0.00 0.51 0.00 0.00 43.02 40.87 1fxp s PHE 2038CO 0.08 0.47 -0.10 0.08 0.70 0.00 0.00 175.22 176.46 1fxp s VAL 2039N -0.58 1.13 -0.04 -0.44 1.01 -0.62 -4.11 120.40 116.75 1fxp s VAL 2039Ca 0.28 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1fxp s VAL 2039Cb -0.18 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1fxp s VAL 2039CO 0.16 0.38 0.95 0.12 0.00 0.00 0.00 175.10 176.71 1fxp s PHE 2040N 1.40 3.61 0.03 5.22 5.36 -0.13 -1.77 117.98 131.70 1fxp s PHE 2040Ca -0.00 1.61 0.07 0.00 -0.96 0.00 0.00 56.93 57.65 1fxp s PHE 2040Cb -0.13 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 1fxp s PHE 2040CO -0.05 -0.06 -0.21 0.21 -1.46 0.00 0.00 175.22 173.64 1fxp s LYS 2041N 1.27 1.50 -0.27 10.12 2.36 -0.29 -1.10 119.74 133.34 1fxp s LYS 2041Ca 0.49 -0.91 -0.26 0.00 -2.55 0.00 0.00 55.97 52.74 1fxp s LYS 2041Cb -0.20 -1.58 0.14 0.00 -1.05 0.00 0.00 37.83 35.14 1fxp s LYS 2041CO 0.24 0.41 1.15 0.45 1.55 0.00 0.00 175.35 179.15 1fxp s SER 2042N -1.02 -0.32 -0.13 1.43 0.15 -1.16 -3.38 113.70 109.27 1fxp s SER 2042Ca 0.08 0.56 -0.15 0.00 0.70 0.00 0.00 55.95 57.14 1fxp s SER 2042Cb -0.09 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1fxp s SER 2042CO 0.01 -0.14 0.35 -0.44 1.20 0.00 0.00 173.24 174.22 1fxp s SER 2043N -0.10 6.54 0.11 5.45 0.01 -0.34 -4.51 113.70 120.86 1fxp s SER 2043Ca 0.04 0.64 0.27 0.00 1.31 0.00 0.00 55.95 58.20 1fxp s SER 2043Cb -0.04 -2.21 0.83 0.00 0.21 0.00 0.00 66.02 64.81 1fxp s SER 2043CO -0.07 0.12 1.71 2.22 0.41 0.00 0.00 173.24 177.62 1fxp n PHE 2044N 3.29 0.49 -3.65 2.43 1.16 -1.26 -1.03 117.46 118.88 1fxp n PHE 2044Ca -0.11 0.14 -0.07 0.00 -1.87 0.00 0.00 57.45 55.54 1fxp n PHE 2044Cb 0.52 -0.69 -0.07 0.00 -1.61 0.00 0.00 39.48 37.63 1fxp n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fxp s ASP 2045N -3.85 -0.86 -0.98 5.98 2.15 -1.26 -3.47 116.67 114.38 1fxp s ASP 2045Ca 0.11 1.38 -0.15 0.00 0.43 0.00 0.00 52.55 54.33 1fxp s ASP 2045Cb 0.15 1.39 0.19 0.00 -0.30 0.00 0.00 42.92 44.35 1fxp s ASP 2045CO 0.61 -0.23 1.06 -0.54 -0.17 0.00 0.00 175.17 175.90 1fxp s LYS 2046N 1.80 3.80 0.00 4.34 -0.14 0.21 -4.86 119.74 124.89 1fxp s LYS 2046Ca -0.09 -2.40 0.28 0.00 -1.36 0.00 0.00 55.97 52.40 1fxp s LYS 2046Cb -0.07 -4.71 1.48 0.00 -1.68 0.00 0.00 37.83 32.85 1fxp s LYS 2046CO -0.18 -1.51 1.99 0.00 -0.76 0.00 0.00 175.35 174.88 1fxp n ALA 2047N 4.83 2.43 -1.99 5.17 0.00 -1.26 -3.97 120.51 125.71 1fxp n ALA 2047Ca 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.55 1fxp n ALA 2047Cb 0.46 -1.46 0.12 0.00 0.00 0.00 0.00 19.45 18.57 1fxp n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fxp n ASN 2048N -1.23 1.80 -4.75 0.00 2.04 -1.26 -5.08 115.26 106.77 1fxp n ASN 2048Ca 0.15 -3.19 -0.36 0.00 -0.44 0.00 0.00 54.58 50.73 1fxp n ASN 2048Cb 0.20 -0.44 0.04 0.00 -2.53 0.00 0.00 39.78 37.06 1fxp n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1fxp s ARG 2049N -2.30 2.90 0.13 -3.83 1.81 -1.25 -4.92 118.95 111.48 1fxp s ARG 2049Ca 0.37 1.93 -0.15 0.00 -1.72 0.00 0.00 55.73 56.17 1fxp s ARG 2049Cb 0.38 -1.95 -0.02 0.00 -0.45 0.00 0.00 34.95 32.91 1fxp s ARG 2049CO -0.09 -1.29 1.58 0.77 -0.68 0.00 0.00 175.30 175.58 1fxp h SER 2050N 0.89 0.70 -2.80 0.23 0.02 -1.98 -3.44 113.55 107.18 1fxp h SER 2050Ca -0.51 -0.30 -0.64 0.00 -0.84 0.00 0.00 61.79 59.50 1fxp h SER 2050Cb 1.31 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 1fxp h SER 2050CO 0.55 0.83 -0.39 -0.55 -1.14 0.00 0.00 176.83 176.13 1fxp s SER 2051N -6.20 6.52 0.44 3.07 0.15 -1.26 -4.97 113.70 111.44 1fxp s SER 2051Ca -0.13 0.61 0.23 0.00 0.70 0.00 0.00 55.95 57.37 1fxp s SER 2051Cb 0.10 -2.12 0.95 0.00 -1.71 0.00 0.00 66.02 63.25 1fxp s SER 2051CO 0.79 0.35 1.85 -0.29 1.20 0.00 0.00 173.24 177.14 1fxp h ILE 2052N 3.68 0.64 -0.70 6.45 6.09 -2.03 -3.14 117.51 128.50 1fxp h ILE 2052Ca -0.53 -1.11 -0.46 0.00 -1.37 0.00 0.00 64.86 61.39 1fxp h ILE 2052Cb 1.22 1.73 -0.19 0.00 0.47 0.00 0.00 36.82 40.04 1fxp h ILE 2052CO 0.61 0.24 0.58 1.41 -3.07 0.00 0.00 178.15 177.92 1fxp n HIS 2053N -3.48 2.14 -4.44 2.19 8.25 -1.26 -4.92 115.22 113.69 1fxp n HIS 2053Ca -0.00 -2.33 -0.23 0.00 -0.26 0.00 0.00 57.72 54.90 1fxp n HIS 2053Cb 0.41 -1.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.28 1fxp n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fxp s SER 2054N -0.51 3.37 0.07 0.41 0.01 -1.19 -5.10 113.70 110.76 1fxp s SER 2054Ca 0.44 -1.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 1fxp s SER 2054Cb 0.34 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 66.23 1fxp s SER 2054CO -0.02 -0.00 1.59 0.12 0.41 0.00 0.00 173.24 175.33 1fxp s PHE 2055N -2.59 2.59 -0.18 2.43 5.36 -1.26 -4.90 117.98 119.43 1fxp s PHE 2055Ca 0.28 0.46 0.01 0.00 -0.96 0.00 0.00 56.93 56.72 1fxp s PHE 2055Cb -0.04 -3.90 -0.12 0.00 -0.34 0.00 0.00 43.02 38.62 1fxp s PHE 2055CO 0.13 -3.52 -0.17 0.54 -1.46 0.00 0.00 175.22 170.75 1fxp n ARG 2056N 5.32 0.45 -0.98 10.12 1.74 -1.26 -4.74 116.66 127.31 1fxp n ARG 2056Ca 0.15 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1fxp n ARG 2056Cb 0.41 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1fxp n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fxp n GLY 2057N 2.59 0.45 0.97 -0.13 0.00 -1.26 -0.62 105.19 107.20 1fxp n GLY 2057Ca -0.32 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.05 1fxp n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fxp n HIS 2058N 9.00 0.55 0.00 1.61 8.25 -1.25 -5.05 115.22 128.33 1fxp n HIS 2058Ca 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 1fxp n HIS 2058Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1fxp n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fxp n GLY 2059N 1.15 1.54 0.16 -1.41 0.00 -1.23 -4.41 105.19 101.00 1fxp n GLY 2059Ca 0.17 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1fxp n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fxp h LEU 2060N 0.00 0.44 -0.19 0.99 5.85 -1.99 -1.88 115.31 118.53 1fxp h LEU 2060Ca 0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1fxp h LEU 2060Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1fxp h LEU 2060CO 0.00 0.49 0.11 -0.33 -0.34 0.00 0.00 178.44 178.36 1fxp h GLU 2061N 0.36 0.26 -0.80 1.25 5.08 -1.97 0.52 114.58 119.28 1fxp h GLU 2061Ca 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1fxp h GLU 2061Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1fxp h GLU 2061CO -0.01 0.24 0.44 -0.92 -1.00 0.00 0.00 179.01 177.76 1fxp h TYR 2062N 0.21 1.09 -0.14 4.33 3.20 -1.76 -2.15 116.97 121.75 1fxp h TYR 2062Ca 0.07 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1fxp h TYR 2062Cb 0.06 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 1fxp h TYR 2062CO -0.04 0.76 -0.00 0.78 -1.64 0.00 0.00 178.16 178.02 1fxp h GLY 2063N 1.11 0.27 1.32 1.82 0.00 -1.06 -1.36 103.07 105.16 1fxp h GLY 2063Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1fxp h GLY 2063CO -0.05 0.18 0.40 -2.08 0.00 0.00 0.00 176.54 175.00 1fxp h VAL 2064N -0.02 1.19 -0.36 4.60 2.07 -0.83 -0.42 116.25 122.48 1fxp h VAL 2064Ca 0.04 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1fxp h VAL 2064Cb 0.38 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1fxp h VAL 2064CO 0.01 0.20 -0.08 0.50 0.02 0.00 0.00 177.57 178.21 1fxp h LYS 2065N 0.92 0.69 -0.41 1.57 3.64 -1.29 -0.15 116.57 121.54 1fxp h LYS 2065Ca 0.24 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1fxp h LYS 2065Cb -0.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1fxp h LYS 2065CO -0.05 0.84 0.16 0.00 -2.27 0.00 0.00 179.45 178.14 1fxp h ALA 2066N 0.82 0.53 -0.52 5.00 0.00 -0.69 -1.98 119.26 122.42 1fxp h ALA 2066Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1fxp h ALA 2066Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1fxp h ALA 2066CO 0.03 0.14 0.03 -0.07 0.00 0.00 0.00 179.25 179.38 1fxp h LEU 2067N 0.52 0.82 -1.10 0.00 3.38 -1.02 -2.09 115.31 115.83 1fxp h LEU 2067Ca 0.14 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1fxp h LEU 2067Cb 0.19 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1fxp h LEU 2067CO -0.01 0.87 0.61 -0.09 0.09 0.00 0.00 178.44 179.91 1fxp h ARG 2068N 0.81 1.17 -0.76 1.13 2.43 -0.72 -1.60 114.38 116.83 1fxp h ARG 2068Ca 0.16 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1fxp h ARG 2068Cb 0.44 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1fxp h ARG 2068CO 0.02 0.77 0.29 -0.22 -1.51 0.00 0.00 179.97 179.32 1fxp h LYS 2069N 1.20 1.15 -0.41 0.20 1.63 -0.70 -1.72 116.57 117.93 1fxp h LYS 2069Ca 0.36 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1fxp h LYS 2069Cb -0.05 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 1fxp h LYS 2069CO -0.10 0.94 0.16 0.28 -3.45 0.00 0.00 179.45 177.28 1fxp h VAL 2070N 1.11 1.20 -0.15 2.00 2.07 -0.86 0.14 116.25 121.76 1fxp h VAL 2070Ca 0.25 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1fxp h VAL 2070Cb 0.23 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1fxp h VAL 2070CO -0.02 0.22 -0.27 0.50 0.02 0.00 0.00 177.57 178.02 1fxp h LYS 2071N 0.51 0.28 0.13 1.57 3.64 -1.19 -1.26 116.57 120.26 1fxp h LYS 2071Ca 0.13 -0.10 -0.29 0.00 -1.27 0.00 0.00 60.65 59.12 1fxp h LYS 2071Cb 0.20 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1fxp h LYS 2071CO -0.01 0.54 -1.25 0.93 -2.27 0.00 0.00 179.45 177.39 1fxp h GLU 2072N 0.25 0.53 0.00 1.90 5.08 -1.08 0.34 114.58 121.60 1fxp h GLU 2072Ca 0.04 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1fxp h GLU 2072Cb 0.62 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1fxp h GLU 2072CO 0.04 1.33 -0.25 1.49 -1.00 0.00 0.00 179.01 180.63 1fxp h GLU 2073N 0.22 0.00 0.00 2.33 4.81 -0.93 -3.38 114.58 117.63 1fxp h GLU 2073Ca -0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1fxp h GLU 2073Cb 1.93 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.31 1fxp h GLU 2073CO 0.23 0.00 -0.15 1.19 -0.73 0.00 0.00 179.01 179.55 1fxp n PHE 2074N -2.74 0.00 -2.57 0.92 3.72 -0.48 -5.03 117.46 111.28 1fxp n PHE 2074Ca 0.04 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.28 1fxp n PHE 2074Cb 0.50 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.05 1fxp n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fxp n GLY 2075N 0.77 -0.20 3.88 1.37 0.00 0.12 -5.00 105.19 106.12 1fxp n GLY 2075Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1fxp n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fxp s LEU 2076N -4.58 4.39 0.70 0.99 1.43 -1.25 -5.04 118.68 115.32 1fxp s LEU 2076Ca 0.12 0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 1fxp s LEU 2076Cb -0.05 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.66 1fxp s LEU 2076CO 0.15 0.29 1.18 -0.54 0.23 0.00 0.00 176.35 177.66 1fxp s LYS 2077N -1.53 2.36 0.13 1.70 1.02 -1.26 -4.42 119.74 117.74 1fxp s LYS 2077Ca 0.24 1.67 0.09 0.00 0.02 0.00 0.00 55.97 57.99 1fxp s LYS 2077Cb -0.13 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 1fxp s LYS 2077CO 0.13 -1.64 -0.22 0.42 -0.92 0.00 0.00 175.35 173.12 1fxp s ILE 2078N -2.05 1.90 -0.14 2.17 -1.09 -1.26 -0.96 121.20 119.76 1fxp s ILE 2078Ca 0.73 -1.72 -0.13 0.00 -2.23 0.00 0.00 60.65 57.29 1fxp s ILE 2078Cb -0.27 -1.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.89 1fxp s ILE 2078CO 0.43 -0.10 0.38 0.28 -1.23 0.00 0.00 174.94 174.71 1fxp s THR 2079N -1.41 -0.00 0.14 2.92 -1.32 -0.26 0.10 115.64 115.81 1fxp s THR 2079Ca 0.11 0.01 -0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1fxp s THR 2079Cb -0.09 -0.54 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1fxp s THR 2079CO 0.06 0.00 0.43 0.28 -2.21 0.00 0.00 174.62 173.18 1fxp s THR 2080N 0.26 0.06 0.14 5.08 -1.32 -1.20 -2.98 115.64 115.67 1fxp s THR 2080Ca -0.00 -0.61 -0.01 0.00 -1.21 0.00 0.00 61.69 59.85 1fxp s THR 2080Cb -0.03 -1.26 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 1fxp s THR 2080CO -0.00 -0.26 0.32 1.51 -2.21 0.00 0.00 174.62 173.98 1fxp s ASP 2081N -2.82 6.41 0.23 8.08 -4.77 -1.26 -1.31 116.67 121.23 1fxp s ASP 2081Ca 0.04 0.40 0.09 0.00 -3.30 0.00 0.00 52.55 49.78 1fxp s ASP 2081Cb 0.01 -2.01 -0.04 0.00 -1.09 0.00 0.00 42.92 39.79 1fxp s ASP 2081CO -0.10 0.06 -0.04 0.27 0.70 0.00 0.00 175.17 176.06 1fxp s ILE 2082N -1.68 3.36 0.00 2.11 -4.36 -0.90 -4.81 121.20 114.92 1fxp s ILE 2082Ca 0.38 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1fxp s ILE 2082Cb -0.12 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1fxp s ILE 2082CO 0.27 -0.25 0.00 1.41 0.24 0.00 0.00 174.94 176.61 1fxp n HIS 2083N -0.48 0.00 -3.86 1.37 8.25 -1.26 -4.40 115.22 114.85 1fxp n HIS 2083Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1fxp n HIS 2083Cb 0.57 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 1fxp n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fxp s GLU 2084N -1.52 0.55 0.30 -0.41 2.02 -1.26 -5.07 118.70 113.30 1fxp s GLU 2084Ca 0.00 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 54.61 1fxp s GLU 2084Cb 0.00 0.23 0.79 0.00 0.10 0.00 0.00 34.13 35.24 1fxp s GLU 2084CO 0.00 -0.14 1.69 0.77 0.02 0.00 0.00 175.26 177.60 1fxp h SER 2085N 4.05 0.33 0.28 -0.19 0.02 -1.91 -1.64 113.55 114.50 1fxp h SER 2085Ca -0.31 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1fxp h SER 2085Cb 1.19 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 1fxp h SER 2085CO 0.42 -0.03 -0.00 4.11 -1.14 0.00 0.00 176.83 180.19 1fxp h TRP 2086N 0.38 0.00 0.00 3.45 5.08 -1.97 -2.70 115.95 120.18 1fxp h TRP 2086Ca 0.59 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.56 1fxp h TRP 2086Cb 1.16 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1fxp h TRP 2086CO -0.13 0.00 0.00 1.96 -1.28 0.00 0.00 178.44 178.99 1fxp h GLN 2087N 0.00 0.00 -0.08 0.12 4.20 -1.73 -3.36 115.11 114.26 1fxp h GLN 2087Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1fxp h GLN 2087Cb 0.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1fxp h GLN 2087CO 0.00 0.00 -0.14 0.00 -0.67 0.00 0.00 178.83 178.02 1fxp h ALA 2088N 2.18 -0.10 0.57 3.87 0.00 -1.63 -2.27 119.26 121.89 1fxp h ALA 2088Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1fxp h ALA 2088Cb 0.86 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1fxp h ALA 2088CO 0.00 -0.61 -0.45 1.49 0.00 0.00 0.00 179.25 179.68 1fxp h GLU 2089N -0.20 -0.96 -0.31 0.00 4.81 -1.80 0.77 114.58 116.89 1fxp h GLU 2089Ca 0.08 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1fxp h GLU 2089Cb 0.30 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1fxp h GLU 2089CO -0.20 -0.64 0.17 -1.00 -0.73 0.00 0.00 179.01 176.60 1fxp h PRO 2090N -1.00 0.41 -0.18 0.92 0.13 -1.77 -2.49 132.00 128.02 1fxp h PRO 2090Ca -0.07 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 64.83 1fxp h PRO 2090Cb 0.84 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1fxp h PRO 2090CO 0.00 0.31 -0.67 0.28 -0.23 0.00 0.00 178.00 177.69 1fxp h VAL 2091N 0.42 1.30 0.00 1.56 2.07 -1.22 -3.08 116.25 117.30 1fxp h VAL 2091Ca 0.11 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1fxp h VAL 2091Cb 0.02 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1fxp h VAL 2091CO -0.02 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.17 1fxp n ALA 2092N -2.56 1.07 0.08 1.67 0.00 0.25 -1.22 120.51 119.79 1fxp n ALA 2092Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1fxp n ALA 2092Cb 0.68 -1.01 0.16 0.00 0.00 0.00 0.00 19.45 19.28 1fxp n ALA 2092CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fxp h GLU 2093N 0.00 0.28 0.00 0.00 4.39 -1.55 -3.38 114.58 114.32 1fxp h GLU 2093Ca 0.00 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 1fxp h GLU 2093Cb 0.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1fxp h GLU 2093CO 0.00 0.72 -1.45 0.28 -1.16 0.00 0.00 179.01 177.40 1fxp n VAL 2094N -3.95 0.45 -1.92 3.13 0.31 -0.70 -5.02 118.33 110.62 1fxp n VAL 2094Ca -0.02 -0.15 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 1fxp n VAL 2094Cb 0.55 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 32.36 1fxp n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fxp s ALA 2095N -2.15 3.64 0.10 3.52 0.00 -0.36 -4.53 121.76 121.98 1fxp s ALA 2095Ca -0.11 1.12 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1fxp s ALA 2095Cb 0.03 -3.73 -0.24 0.00 0.00 0.00 0.00 23.12 19.18 1fxp s ALA 2095CO 0.17 -1.27 1.20 -0.44 0.00 0.00 0.00 175.76 175.41 1fxp h ASP 2096N 9.07 0.19 -3.22 0.00 3.32 -0.67 -3.43 116.42 121.67 1fxp h ASP 2096Ca -0.42 -0.20 -0.56 0.00 0.02 0.00 0.00 57.03 55.86 1fxp h ASP 2096Cb 1.20 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.33 1fxp h ASP 2096CO 0.94 1.16 -0.82 -0.63 -1.72 0.00 0.00 179.24 178.17 1fxp s ILE 2097N -2.68 1.31 -0.24 0.35 1.01 -0.76 -2.22 121.20 117.97 1fxp s ILE 2097Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1fxp s ILE 2097Cb 0.09 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1fxp s ILE 2097CO 0.85 0.41 0.43 -0.63 0.00 0.00 0.00 174.94 176.00 1fxp s ILE 2098N 1.31 5.14 -0.07 2.92 1.01 0.57 -3.25 121.20 128.83 1fxp s ILE 2098Ca -0.01 0.74 -0.14 0.00 0.00 0.00 0.00 60.65 61.23 1fxp s ILE 2098Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1fxp s ILE 2098CO -0.05 0.17 0.37 -1.58 0.00 0.00 0.00 174.94 173.84 1fxp s GLN 2099N 1.88 4.03 -0.22 2.79 0.74 -0.42 -1.09 119.66 127.36 1fxp s GLN 2099Ca 0.19 0.29 -0.06 0.00 0.05 0.00 0.00 55.36 55.82 1fxp s GLN 2099Cb -0.15 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1fxp s GLN 2099CO 0.09 0.49 0.04 0.42 -0.55 0.00 0.00 175.29 175.78 1fxp s ILE 2100N -0.38 4.21 0.62 -2.34 -1.09 0.18 -2.11 121.20 120.29 1fxp s ILE 2100Ca 0.21 -0.22 -0.19 0.00 -2.23 0.00 0.00 60.65 58.23 1fxp s ILE 2100Cb -0.15 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 1fxp s ILE 2100CO 0.09 0.39 1.17 -2.65 -1.23 0.00 0.00 174.94 172.72 1fxp n PRO 2101N 4.49 1.08 -0.18 2.79 -0.02 -1.26 -1.47 135.00 140.42 1fxp n PRO 2101Ca -0.17 0.42 -0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1fxp n PRO 2101Cb 0.52 -2.39 0.07 0.00 -0.02 0.00 0.00 33.50 31.67 1fxp n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fxp h ALA 2102N 0.59 0.72 0.00 3.55 0.00 -1.89 -1.48 119.26 120.75 1fxp h ALA 2102Ca -0.50 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1fxp h ALA 2102Cb 1.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1fxp h ALA 2102CO 0.52 -0.09 -0.02 0.74 0.00 0.00 0.00 179.25 180.40 1fxp h PHE 2103N 0.51 0.00 -0.56 0.00 0.04 -1.92 -2.80 116.94 112.21 1fxp h PHE 2103Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1fxp h PHE 2103Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1fxp h PHE 2103CO -0.11 0.02 0.00 1.28 -0.60 0.00 0.00 178.31 178.89 1fxp n LEU 2104N -3.19 3.80 0.03 1.54 4.77 -0.58 -4.60 117.00 118.77 1fxp n LEU 2104Ca -0.02 -2.16 0.04 0.00 -0.03 0.00 0.00 56.01 53.84 1fxp n LEU 2104Cb 0.17 -0.43 0.18 0.00 -2.33 0.00 0.00 43.42 41.01 1fxp n LEU 2104CO 0.24 0.85 0.62 0.00 -1.33 0.00 0.00 177.39 177.77 1fxp n ARG 2106N -1.63 0.97 -2.49 0.00 5.12 -1.26 -4.90 116.66 112.46 1fxp n ARG 2106Ca 0.01 -1.34 -0.41 0.00 -1.93 0.00 0.00 57.85 54.18 1fxp n ARG 2106Cb 0.06 -1.24 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 1fxp n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1fxp s GLN 2107N -1.02 3.15 0.19 5.56 -1.52 -0.71 -4.89 119.66 120.42 1fxp s GLN 2107Ca 0.16 -0.21 -0.16 0.00 -1.95 0.00 0.00 55.36 53.20 1fxp s GLN 2107Cb 0.11 -4.28 0.16 0.00 -0.22 0.00 0.00 33.01 28.77 1fxp s GLN 2107CO 0.16 -2.22 1.64 1.15 -0.25 0.00 0.00 175.29 175.76 1fxp h THR 2108N 6.18 0.43 -0.27 -0.19 2.02 -1.90 -2.09 112.91 117.08 1fxp h THR 2108Ca -0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1fxp h THR 2108Cb 1.06 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1fxp h THR 2108CO 1.28 0.00 0.07 0.44 0.37 0.00 0.00 175.52 177.68 1fxp h ASP 2109N -0.04 0.35 -0.26 4.18 3.32 -1.98 0.16 116.42 122.14 1fxp h ASP 2109Ca 0.24 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1fxp h ASP 2109Cb 0.41 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1fxp h ASP 2109CO -0.54 0.36 -0.21 0.25 -1.72 0.00 0.00 179.24 177.37 1fxp h LEU 2110N 0.38 0.64 -0.17 1.55 5.85 -1.77 0.24 115.31 122.03 1fxp h LEU 2110Ca 0.09 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1fxp h LEU 2110Cb 0.15 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1fxp h LEU 2110CO -0.00 0.96 0.06 -0.07 -0.34 0.00 0.00 178.44 179.04 1fxp h LEU 2111N 0.32 0.24 -0.82 2.25 3.38 -1.05 -1.06 115.31 118.58 1fxp h LEU 2111Ca 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1fxp h LEU 2111Cb 0.76 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1fxp h LEU 2111CO 0.06 0.36 0.41 -0.07 0.09 0.00 0.00 178.44 179.29 1fxp h LEU 2112N 0.11 1.05 -0.64 1.67 3.38 -0.94 -0.27 115.31 119.67 1fxp h LEU 2112Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1fxp h LEU 2112Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1fxp h LEU 2112CO -0.00 0.88 0.28 0.00 0.09 0.00 0.00 178.44 179.69 1fxp h ALA 2113N 1.22 0.82 -0.33 1.53 0.00 -0.76 -0.26 119.26 121.48 1fxp h ALA 2113Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1fxp h ALA 2113Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1fxp h ALA 2113CO -0.04 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.66 1fxp h ALA 2114N 1.12 0.44 -0.45 0.00 0.00 -0.83 -2.97 119.26 116.57 1fxp h ALA 2114Ca 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1fxp h ALA 2114Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1fxp h ALA 2114CO -0.02 0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.60 1fxp h ALA 2115N 0.88 1.53 0.00 0.00 0.00 -0.74 -2.64 119.26 118.28 1fxp h ALA 2115Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fxp h ALA 2115Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1fxp h ALA 2115CO 0.01 0.38 -0.11 -0.22 0.00 0.00 0.00 179.25 179.31 1fxp h LYS 2116N 0.63 0.00 0.00 0.00 3.64 -0.88 -2.48 116.57 117.48 1fxp h LYS 2116Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1fxp h LYS 2116Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1fxp h LYS 2116CO -0.02 0.11 0.00 0.25 -2.27 0.00 0.00 179.45 177.52 1fxp n THR 2117N -3.69 0.81 -0.15 1.00 -2.24 -1.00 -4.87 114.28 104.15 1fxp n THR 2117Ca -0.02 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1fxp n THR 2117Cb 0.22 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1fxp n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fxp n GLY 2118N 0.02 2.13 3.85 3.38 0.00 -0.93 -5.02 105.19 108.63 1fxp n GLY 2118Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1fxp n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fxp s ARG 2119N -0.19 1.43 0.55 1.61 1.81 -1.26 -4.91 118.95 117.97 1fxp s ARG 2119Ca 0.00 0.12 -0.17 0.00 -1.72 0.00 0.00 55.73 53.96 1fxp s ARG 2119Cb 0.00 -1.89 -0.06 0.00 -0.45 0.00 0.00 34.95 32.55 1fxp s ARG 2119CO 0.00 -1.97 1.03 0.00 -0.68 0.00 0.00 175.30 173.69 1fxp s ALA 2120N -3.48 2.85 -0.06 2.13 0.00 -0.94 -4.77 121.76 117.48 1fxp s ALA 2120Ca 0.64 0.39 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1fxp s ALA 2120Cb -0.12 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1fxp s ALA 2120CO 0.51 -0.54 -0.11 0.08 0.00 0.00 0.00 175.76 175.70 1fxp s VAL 2121N -2.38 1.02 -0.24 0.00 1.01 -0.62 -0.31 120.40 118.88 1fxp s VAL 2121Ca 0.63 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 1fxp s VAL 2121Cb -0.14 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1fxp s VAL 2121CO 0.31 0.33 -0.09 0.21 0.00 0.00 0.00 175.10 175.86 1fxp s ASN 2122N 0.71 4.21 -0.26 3.32 3.04 -0.25 -0.91 114.94 124.79 1fxp s ASN 2122Ca -0.14 -0.98 -0.10 0.00 0.04 0.00 0.00 52.86 51.68 1fxp s ASN 2122Cb -0.16 -1.62 -0.05 0.00 -1.54 0.00 0.00 41.25 37.89 1fxp s ASN 2122CO 0.03 -0.13 0.16 -0.69 -3.04 0.00 0.00 177.10 173.42 1fxp s VAL 2123N 1.27 5.09 -0.02 -5.21 1.01 0.05 -0.64 120.40 121.95 1fxp s VAL 2123Ca -0.02 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1fxp s VAL 2123Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1fxp s VAL 2123CO -0.06 0.29 1.24 -0.54 0.00 0.00 0.00 175.10 176.03 1fxp s LYS 2124N 1.59 4.36 -0.05 2.72 -0.14 -0.54 -0.94 119.74 126.72 1fxp s LYS 2124Ca 0.07 1.75 -0.30 0.00 -1.36 0.00 0.00 55.97 56.13 1fxp s LYS 2124Cb -0.15 -3.51 -0.05 0.00 -1.68 0.00 0.00 37.83 32.43 1fxp s LYS 2124CO 0.08 -0.43 1.53 0.21 -0.76 0.00 0.00 175.35 175.98 1fxp s LYS 2125N 1.99 4.21 0.41 1.68 2.20 0.18 -4.00 119.74 126.42 1fxp s LYS 2125Ca 0.58 2.05 -0.25 0.00 -0.36 0.00 0.00 55.97 57.99 1fxp s LYS 2125Cb -0.27 -3.83 -0.10 0.00 -1.51 0.00 0.00 37.83 32.12 1fxp s LYS 2125CO 0.24 -0.75 1.16 0.41 -0.36 0.00 0.00 175.35 176.05 1fxp n GLY 2126N 3.92 0.21 0.00 5.54 0.00 -1.24 -4.57 105.19 109.04 1fxp n GLY 2126Ca 0.16 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.39 1fxp n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fxp n GLN 2127N 0.16 0.00 -0.00 1.61 3.00 -1.26 -1.31 117.38 119.58 1fxp n GLN 2127Ca 0.08 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 1fxp n GLN 2127Cb 0.39 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.02 1fxp n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fxp n PHE 2128N -1.49 0.00 -3.23 1.08 1.16 -1.26 -1.13 117.46 112.59 1fxp n PHE 2128Ca 0.01 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.20 1fxp n PHE 2128Cb 0.04 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 37.84 1fxp n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fxp s LEU 2129N -2.89 4.54 0.34 5.98 2.96 -0.43 -5.05 118.68 124.13 1fxp s LEU 2129Ca 0.06 1.31 -0.17 0.00 -0.22 0.00 0.00 54.13 55.12 1fxp s LEU 2129Cb 0.14 -2.95 -0.09 0.00 0.50 0.00 0.00 46.19 43.78 1fxp s LEU 2129CO 0.74 0.26 0.78 0.00 -1.32 0.00 0.00 176.35 176.81 1fxp s ALA 2130N -1.10 3.27 0.19 5.97 0.00 -1.26 -4.88 121.76 123.95 1fxp s ALA 2130Ca 0.30 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 1fxp s ALA 2130Cb -0.20 -2.86 0.20 0.00 0.00 0.00 0.00 23.12 20.26 1fxp s ALA 2130CO 0.20 0.29 1.68 -1.35 0.00 0.00 0.00 175.76 176.58 1fxp h PRO 2131N 2.30 0.10 0.00 0.00 0.11 -1.98 -1.11 132.00 131.43 1fxp h PRO 2131Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fxp h PRO 2131Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1fxp h PRO 2131CO 0.64 0.07 0.00 0.11 -0.21 0.00 0.00 178.00 178.61 1fxp h TRP 2132N 0.11 0.00 -0.00 0.65 0.09 -1.94 -2.23 115.95 112.62 1fxp h TRP 2132Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.24 1fxp h TRP 2132Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.63 1fxp h TRP 2132CO -0.33 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 177.95 1fxp n ASP 2133N -2.77 0.28 0.01 0.11 8.00 -0.42 -3.06 116.55 118.70 1fxp n ASP 2133Ca -0.01 -1.11 0.13 0.00 0.71 0.00 0.00 54.79 54.51 1fxp n ASP 2133Cb 0.17 -0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.73 1fxp n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fxp n THR 2134N -0.77 0.07 -0.24 -3.53 -2.24 -0.84 -3.60 114.28 103.13 1fxp n THR 2134Ca 0.23 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1fxp n THR 2134Cb 0.15 -0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.18 1fxp n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fxp h LYS 2135N 0.00 0.90 0.00 -0.78 3.64 -1.75 -1.70 116.57 116.89 1fxp h LYS 2135Ca 0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1fxp h LYS 2135Cb 0.53 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1fxp h LYS 2135CO 0.00 0.62 -0.29 -0.91 -2.27 0.00 0.00 179.45 176.60 1fxp h ASN 2136N 0.92 0.00 -0.30 4.20 -0.26 -1.82 -2.11 115.58 116.22 1fxp h ASN 2136Ca 0.24 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.95 1fxp h ASN 2136Cb -0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 1fxp h ASN 2136CO -0.05 0.29 0.04 0.58 -1.06 0.00 0.00 177.43 177.22 1fxp h VAL 2137N 0.00 1.24 -0.60 2.81 2.07 -1.48 -2.18 116.25 118.11 1fxp h VAL 2137Ca -0.00 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1fxp h VAL 2137Cb 0.54 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1fxp h VAL 2137CO 0.04 0.27 0.26 0.58 0.02 0.00 0.00 177.57 178.74 1fxp h VAL 2138N 0.31 1.22 -0.71 2.57 2.07 -1.10 -2.64 116.25 117.96 1fxp h VAL 2138Ca 0.09 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1fxp h VAL 2138Cb 0.36 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1fxp h VAL 2138CO 0.01 0.26 0.43 -0.08 0.02 0.00 0.00 177.57 178.22 1fxp h GLU 2139N 0.83 0.80 -0.33 1.57 4.81 -1.25 0.49 114.58 121.50 1fxp h GLU 2139Ca 0.20 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1fxp h GLU 2139Cb 0.17 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1fxp h GLU 2139CO -0.02 0.53 0.11 0.87 -0.73 0.00 0.00 179.01 179.77 1fxp h LYS 2140N 0.83 0.25 -0.77 1.92 1.57 -1.09 0.77 116.57 120.04 1fxp h LYS 2140Ca 0.30 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1fxp h LYS 2140Cb 0.09 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1fxp h LYS 2140CO -0.14 0.16 0.32 -0.07 -0.57 0.00 0.00 179.45 179.16 1fxp h LEU 2141N 0.25 1.06 -0.37 2.94 3.38 -1.01 -0.31 115.31 121.26 1fxp h LEU 2141Ca 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1fxp h LEU 2141Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1fxp h LEU 2141CO -0.15 0.94 0.07 0.11 0.09 0.00 0.00 178.44 179.49 1fxp h LYS 2142N 1.12 0.61 -0.66 1.13 1.57 -0.45 0.56 116.57 120.44 1fxp h LYS 2142Ca 0.26 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1fxp h LYS 2142Cb 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1fxp h LYS 2142CO -0.02 0.67 0.44 0.35 -0.57 0.00 0.00 179.45 180.31 1fxp h PHE 2143N 0.45 0.72 0.00 -1.35 3.57 -0.54 -0.91 116.94 118.89 1fxp h PHE 2143Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1fxp h PHE 2143Cb 0.35 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1fxp h PHE 2143CO 0.02 0.40 0.00 0.41 -2.23 0.00 0.00 178.31 176.92 1fxp n GLY 2144N -1.45 -1.06 0.12 2.40 0.00 -0.15 -4.89 105.19 100.15 1fxp n GLY 2144Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1fxp n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fxp n GLY 2145N 1.00 0.97 3.77 -0.02 0.00 -0.34 -3.82 105.19 106.74 1fxp n GLY 2145Ca 0.19 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1fxp n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxp s ALA 2146N -2.00 3.41 -0.04 4.61 0.00 0.13 -4.85 121.76 123.02 1fxp s ALA 2146Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1fxp s ALA 2146Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1fxp s ALA 2146CO 0.00 0.24 -0.00 1.63 0.00 0.00 0.00 175.76 177.63 1fxp n LYS 2147N 1.75 2.35 -3.53 0.00 5.02 -1.26 -4.31 118.16 118.19 1fxp n LYS 2147Ca -0.04 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 1fxp n LYS 2147Cb 0.49 -1.10 -0.09 0.00 -0.02 0.00 0.00 35.03 34.31 1fxp n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fxp s GLU 2148N -2.10 2.70 -0.08 1.97 2.12 -1.26 -5.06 118.70 116.99 1fxp s GLU 2148Ca -0.03 -1.49 0.04 0.00 0.36 0.00 0.00 54.97 53.85 1fxp s GLU 2148Cb 0.01 -3.92 -0.00 0.00 0.26 0.00 0.00 34.13 30.48 1fxp s GLU 2148CO 0.14 -1.03 -0.23 0.42 -0.54 0.00 0.00 175.26 174.02 1fxp s ILE 2149N 1.48 1.99 0.08 -3.70 1.01 -1.26 -1.58 121.20 119.22 1fxp s ILE 2149Ca 0.04 -0.99 0.09 0.00 0.00 0.00 0.00 60.65 59.78 1fxp s ILE 2149Cb -0.24 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1fxp s ILE 2149CO 0.03 0.55 -0.24 -0.31 0.00 0.00 0.00 174.94 174.96 1fxp s TYR 2150N 0.21 2.09 -0.09 3.97 1.51 -0.09 -3.01 117.35 121.94 1fxp s TYR 2150Ca -0.14 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.56 1fxp s TYR 2150Cb -0.17 -1.19 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1fxp s TYR 2150CO 0.07 0.20 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.98 1fxp s LEU 2151N -1.61 2.02 -0.18 -1.29 1.43 -0.48 -0.77 118.68 117.81 1fxp s LEU 2151Ca 0.10 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1fxp s LEU 2151Cb -0.10 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 1fxp s LEU 2151CO 0.04 0.15 -0.07 -0.89 0.23 0.00 0.00 176.35 175.80 1fxp s THR 2152N 0.35 3.38 -0.16 5.49 2.01 -0.12 -0.97 115.64 125.62 1fxp s THR 2152Ca -0.17 -0.52 -0.28 0.00 0.31 0.00 0.00 61.69 61.03 1fxp s THR 2152Cb -0.17 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1fxp s THR 2152CO 0.08 0.47 0.96 -0.70 -0.69 0.00 0.00 174.62 174.74 1fxp s GLU 2153N 0.84 4.33 -0.02 4.92 2.56 0.19 -0.65 118.70 130.88 1fxp s GLU 2153Ca -0.02 1.26 0.10 0.00 0.00 0.00 0.00 54.97 56.31 1fxp s GLU 2153Cb -0.15 -3.58 0.17 0.00 2.00 0.00 0.00 34.13 32.57 1fxp s GLU 2153CO 0.01 -0.42 1.08 2.89 -0.56 0.00 0.00 175.26 178.26 1fxp n ARG 2154N 5.49 0.21 0.00 4.30 -4.01 -1.26 -0.81 116.66 120.58 1fxp n ARG 2154Ca 0.08 -1.57 0.00 0.00 -1.04 0.00 0.00 57.85 55.33 1fxp n ARG 2154Cb 0.48 -0.52 0.00 0.00 -3.04 0.00 0.00 32.46 29.38 1fxp n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fxp n GLY 2155N -0.06 0.92 3.19 2.89 0.00 -1.26 -3.95 105.19 106.92 1fxp n GLY 2155Ca 0.04 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 1fxp n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fxp s THR 2156N -2.87 1.29 0.03 2.61 2.01 0.17 -4.26 115.64 114.62 1fxp s THR 2156Ca 0.00 -1.20 -0.34 0.00 0.31 0.00 0.00 61.69 60.46 1fxp s THR 2156Cb 0.00 -1.18 -0.12 0.00 0.01 0.00 0.00 72.50 71.21 1fxp s THR 2156CO 0.00 -0.04 1.76 0.41 -0.69 0.00 0.00 174.62 176.07 1fxp n THR 2157N 1.59 0.34 -3.64 -0.82 -1.04 -0.28 -1.51 114.28 108.92 1fxp n THR 2157Ca -0.19 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.47 1fxp n THR 2157Cb 0.54 -1.77 -0.12 0.00 -1.82 0.00 0.00 70.33 67.15 1fxp n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fxp s PHE 2158N 2.75 1.72 0.00 -1.42 5.36 -0.71 -4.86 117.98 120.82 1fxp s PHE 2158Ca 0.86 -2.30 0.00 0.00 -0.96 0.00 0.00 56.93 54.54 1fxp s PHE 2158Cb -0.67 -1.64 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1fxp s PHE 2158CO 0.45 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.84 1fxp n GLY 2159N 3.50 -0.48 3.86 13.12 0.00 -1.26 -4.34 105.19 119.59 1fxp n GLY 2159Ca 0.12 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1fxp n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fxp s TYR 2160N 0.00 3.65 -1.54 1.61 2.02 -1.26 -4.47 117.35 117.37 1fxp s TYR 2160Ca 0.00 0.75 -0.12 0.00 -0.37 0.00 0.00 57.07 57.33 1fxp s TYR 2160Cb 0.00 -2.11 0.09 0.00 -0.40 0.00 0.00 41.96 39.53 1fxp s TYR 2160CO 0.00 0.66 0.87 0.09 -1.57 0.00 0.00 175.55 175.60 1fxp n ASN 2161N 1.67 -3.79 -3.65 2.29 3.02 -1.26 -4.96 115.26 108.59 1fxp n ASN 2161Ca -0.15 -0.85 -0.14 0.00 -0.03 0.00 0.00 54.58 53.41 1fxp n ASN 2161Cb 0.53 -3.62 -0.08 0.00 -0.61 0.00 0.00 39.78 36.01 1fxp n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fxp s ASN 2162N -3.50 -0.60 -0.02 6.41 3.04 -1.26 -5.10 114.94 113.92 1fxp s ASN 2162Ca 0.56 1.02 0.06 0.00 0.04 0.00 0.00 52.86 54.54 1fxp s ASN 2162Cb -0.29 1.01 -0.01 0.00 -1.54 0.00 0.00 41.25 40.42 1fxp s ASN 2162CO 0.85 -0.31 -0.19 -0.76 -3.04 0.00 0.00 177.10 173.65 1fxp s LEU 2163N -0.12 2.03 0.08 3.21 1.43 -1.26 -1.74 118.68 122.31 1fxp s LEU 2163Ca -0.03 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1fxp s LEU 2163Cb -0.03 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1fxp s LEU 2163CO 0.03 0.23 -0.26 0.54 0.23 0.00 0.00 176.35 177.12 1fxp s VAL 2164N -0.44 2.21 -0.34 -1.59 0.11 -0.57 -4.85 120.40 114.93 1fxp s VAL 2164Ca 0.07 -1.55 -0.12 0.00 -2.93 0.00 0.00 61.98 57.45 1fxp s VAL 2164Cb -0.07 -1.91 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1fxp s VAL 2164CO -0.01 0.24 0.22 -0.69 -3.33 0.00 0.00 175.10 171.54 1fxp s VAL 2165N -0.92 5.03 -0.64 2.04 1.01 -1.26 -0.65 120.40 125.01 1fxp s VAL 2165Ca 0.13 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1fxp s VAL 2165Cb -0.10 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.78 1fxp s VAL 2165CO 0.04 -0.03 0.74 -0.62 0.00 0.00 0.00 175.10 175.23 1fxp s ASP 2166N 1.67 6.26 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.68 1fxp s ASP 2166Ca 0.05 -1.59 0.06 0.00 -0.52 0.00 0.00 52.55 50.55 1fxp s ASP 2166Cb -0.18 -2.30 0.29 0.00 -1.46 0.00 0.00 42.92 39.28 1fxp s ASP 2166CO 0.09 -1.07 1.09 0.49 0.52 0.00 0.00 175.17 176.30 1fxp n PHE 2167N 6.14 0.00 0.29 -5.34 3.01 -1.26 -1.20 117.46 119.11 1fxp n PHE 2167Ca -0.05 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.60 1fxp n PHE 2167Cb 0.43 -0.36 0.83 0.00 -0.01 0.00 0.00 39.48 40.38 1fxp n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fxp h ARG 2168N 0.00 0.00 -0.02 -1.08 3.08 -2.03 -2.73 114.38 111.60 1fxp h ARG 2168Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1fxp h ARG 2168Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1fxp h ARG 2168CO 0.00 0.00 -0.27 0.66 -1.07 0.00 0.00 179.97 179.29 1fxp h SER 2169N 0.00 0.03 0.70 7.04 4.64 -1.58 -3.02 113.55 121.35 1fxp h SER 2169Ca -0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1fxp h SER 2169Cb 0.37 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1fxp h SER 2169CO 0.00 0.30 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.85 1fxp h LEU 2170N 0.02 -0.79 -1.53 5.97 4.07 -1.70 -0.59 115.31 120.76 1fxp h LEU 2170Ca 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1fxp h LEU 2170Cb 0.49 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1fxp h LEU 2170CO 0.04 -0.57 -0.24 1.55 -1.08 0.00 0.00 178.44 178.14 1fxp h PRO 2171N -0.94 0.00 -0.11 1.13 0.13 -1.74 -1.99 132.00 128.48 1fxp h PRO 2171Ca -0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1fxp h PRO 2171Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1fxp h PRO 2171CO 0.16 0.24 -0.09 0.82 -0.23 0.00 0.00 178.00 178.90 1fxp h ILE 2172N 0.00 1.35 0.00 -3.56 2.04 -1.38 -3.19 117.51 112.76 1fxp h ILE 2172Ca -0.00 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1fxp h ILE 2172Cb 0.51 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1fxp h ILE 2172CO 0.03 0.34 -0.25 0.24 0.00 0.00 0.00 178.15 178.52 1fxp h MET 2173N -0.14 0.00 0.00 2.37 2.86 -0.99 -2.92 114.93 116.11 1fxp h MET 2173Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1fxp h MET 2173Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1fxp h MET 2173CO 0.02 0.25 0.00 -0.22 1.06 0.00 0.00 176.91 178.02 1fxp h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.35 -2.34 116.57 116.23 1fxp h LYS 2174Ca -0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1fxp h LYS 2174Cb 0.75 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1fxp h LYS 2174CO 0.03 0.00 -0.27 1.96 -3.45 0.00 0.00 179.45 177.72 1fxp h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.60 -3.33 115.11 116.28 1fxp h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fxp h GLN 2175Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1fxp h GLN 2175CO 0.00 0.27 0.00 -2.67 -0.67 0.00 0.00 178.83 175.76 1fxp n TRP 2176N -4.00 0.00 -3.60 2.96 2.14 -0.93 -5.10 117.44 108.90 1fxp n TRP 2176Ca -0.02 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.48 1fxp n TRP 2176Cb 0.34 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.82 1fxp n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fxp s ALA 2177N -0.02 -1.73 0.37 -1.67 0.00 -0.93 -4.99 121.76 112.79 1fxp s ALA 2177Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1fxp s ALA 2177Cb 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 1fxp s ALA 2177CO 0.00 -0.84 1.11 0.15 0.00 0.00 0.00 175.76 176.18 1fxp s LYS 2178N -3.25 4.25 -0.12 0.00 1.02 -1.16 -4.01 119.74 116.47 1fxp s LYS 2178Ca 0.08 1.71 0.00 0.00 0.02 0.00 0.00 55.97 57.78 1fxp s LYS 2178Cb -0.01 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1fxp s LYS 2178CO -0.05 -0.12 -0.12 0.08 -0.92 0.00 0.00 175.35 174.22 1fxp s VAL 2179N -1.44 3.13 -0.07 3.17 1.01 -1.26 -1.38 120.40 123.57 1fxp s VAL 2179Ca 0.54 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1fxp s VAL 2179Cb -0.28 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1fxp s VAL 2179CO 0.35 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 175.22 1fxp s ILE 2180N 0.12 3.04 -0.23 2.22 -1.09 -0.15 -0.17 121.20 124.96 1fxp s ILE 2180Ca -0.06 -0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 57.56 1fxp s ILE 2180Cb -0.15 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1fxp s ILE 2180CO 0.05 0.58 0.11 -0.47 -1.23 0.00 0.00 174.94 173.97 1fxp s TYR 2181N -0.48 3.24 -0.54 3.97 5.04 -0.40 -0.63 117.35 127.54 1fxp s TYR 2181Ca 0.06 0.05 -0.22 0.00 -2.44 0.00 0.00 57.07 54.52 1fxp s TYR 2181Cb -0.12 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 40.04 1fxp s TYR 2181CO 0.02 -0.00 0.81 0.34 -1.34 0.00 0.00 175.55 175.38 1fxp s ASP 2182N 0.98 6.28 0.42 4.32 -1.08 0.01 0.14 116.67 127.74 1fxp s ASP 2182Ca 0.06 -0.65 0.23 0.00 -0.52 0.00 0.00 52.55 51.66 1fxp s ASP 2182Cb -0.14 -2.37 0.47 0.00 -1.46 0.00 0.00 42.92 39.42 1fxp s ASP 2182CO 0.03 -1.11 1.64 0.00 0.52 0.00 0.00 175.17 176.26 1fxp h ALA 2183N 9.20 0.93 0.00 3.66 0.00 -1.18 -3.24 119.26 128.64 1fxp h ALA 2183Ca -0.27 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.16 1fxp h ALA 2183Cb 1.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1fxp h ALA 2183CO 1.05 0.17 -2.22 0.25 0.00 0.00 0.00 179.25 178.50 1fxp n THR 2184N -3.16 1.45 0.62 0.00 -2.24 -1.26 -4.42 114.28 105.28 1fxp n THR 2184Ca 0.03 -0.84 0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1fxp n THR 2184Cb 0.54 -0.64 0.14 0.00 -2.10 0.00 0.00 70.33 68.27 1fxp n THR 2184CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1fxp n HIS 2185N -2.84 0.40 0.54 4.78 8.25 -1.26 -3.93 115.22 121.16 1fxp n HIS 2185Ca -0.29 0.12 0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1fxp n HIS 2185Cb 1.13 -0.54 0.45 0.00 1.12 0.00 0.00 29.99 32.14 1fxp n HIS 2185CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1fxp n SER 2186N -1.99 0.71 -0.00 0.41 7.64 -1.22 -3.32 113.62 115.85 1fxp n SER 2186Ca 0.03 0.61 0.04 0.00 1.01 0.00 0.00 58.87 60.57 1fxp n SER 2186Cb 0.43 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 62.78 1fxp n SER 2186CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1fxp n VAL 2187N -2.22 0.00 -2.07 0.44 0.24 -1.26 -4.65 118.33 108.82 1fxp n VAL 2187Ca 0.04 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.79 1fxp n VAL 2187Cb 0.34 0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 33.63 1fxp n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fxp s GLN 2188N -1.92 2.61 -0.00 7.34 -2.07 -1.21 -4.94 119.66 119.47 1fxp s GLN 2188Ca 0.03 -0.32 0.01 0.00 -1.82 0.00 0.00 55.36 53.26 1fxp s GLN 2188Cb 0.07 -5.07 -0.01 0.00 -1.09 0.00 0.00 33.01 26.91 1fxp s GLN 2188CO 0.39 -3.32 0.01 -2.13 -1.32 0.00 0.00 175.29 168.92 1fxp n ARG 2201N 8.86 2.02 0.25 9.60 0.63 -1.26 -4.41 116.66 132.36 1fxp n ARG 2201Ca 0.40 -0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.50 1fxp n ARG 2201Cb 0.47 -1.01 0.86 0.00 0.45 0.00 0.00 32.46 33.22 1fxp n ARG 2201CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1fxp h GLU 2202N 0.00 0.00 -0.01 -0.14 4.11 -2.00 -2.53 114.58 114.01 1fxp h GLU 2202Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1fxp h GLU 2202Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1fxp h GLU 2202CO 0.00 0.00 -0.67 1.19 0.07 0.00 0.00 179.01 179.60 1fxp n PHE 2203N -2.74 0.00 0.19 2.06 3.72 -1.26 -4.59 117.46 114.84 1fxp n PHE 2203Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1fxp n PHE 2203Cb 0.12 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1fxp n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1fxp h ILE 2204N 1.54 0.32 -0.07 4.37 2.04 -1.72 -2.48 117.51 121.51 1fxp h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1fxp h ILE 2204Cb 0.66 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1fxp h ILE 2204CO 0.00 0.00 0.02 0.15 0.00 0.00 0.00 178.15 178.32 1fxp h PHE 2205N -0.65 0.12 -0.65 1.37 -0.00 -1.81 -1.97 116.94 113.35 1fxp h PHE 2205Ca -0.01 -0.01 0.10 0.00 -0.00 0.00 0.00 57.97 58.05 1fxp h PHE 2205Cb 0.61 -0.03 -0.08 0.00 -0.00 0.00 0.00 35.95 36.45 1fxp h PHE 2205CO -0.22 0.31 0.25 -1.35 -0.00 0.00 0.00 178.31 177.30 1fxp h PRO 2206N -0.10 0.41 -0.00 6.41 0.11 -1.81 -0.93 132.00 136.09 1fxp h PRO 2206Ca 0.02 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1fxp h PRO 2206Cb 0.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1fxp h PRO 2206CO 0.00 0.27 -0.61 -0.07 -0.21 0.00 0.00 178.00 177.38 1fxp h LEU 2207N 0.42 0.02 -0.56 2.35 3.38 -1.38 -1.79 115.31 117.76 1fxp h LEU 2207Ca 0.33 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 1fxp h LEU 2207Cb 0.43 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1fxp h LEU 2207CO -0.33 0.62 -0.41 -0.29 0.09 0.00 0.00 178.44 178.12 1fxp h ILE 2208N 0.01 1.29 -0.71 1.22 2.10 -0.76 -0.43 117.51 120.23 1fxp h ILE 2208Ca -0.01 -1.59 0.00 0.00 1.08 0.00 0.00 64.86 64.34 1fxp h ILE 2208Cb 1.08 1.52 -0.03 0.00 -1.09 0.00 0.00 36.82 38.29 1fxp h ILE 2208CO 0.08 0.51 0.44 0.03 -1.08 0.00 0.00 178.15 178.14 1fxp h ARG 2209N 0.57 0.95 -0.61 2.19 3.08 -0.91 -2.09 114.38 117.56 1fxp h ARG 2209Ca 0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1fxp h ARG 2209Cb 0.95 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1fxp h ARG 2209CO 0.09 0.66 0.30 0.00 -1.07 0.00 0.00 179.97 179.95 1fxp h ALA 2210N 1.24 0.79 -0.50 0.04 0.00 -0.96 -1.59 119.26 118.27 1fxp h ALA 2210Ca 0.26 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1fxp h ALA 2210Cb -0.06 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1fxp h ALA 2210CO -0.05 0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.79 1fxp h ALA 2211N 1.13 0.63 0.00 0.00 0.00 -0.47 -0.42 119.26 120.13 1fxp h ALA 2211Ca 0.21 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1fxp h ALA 2211Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1fxp h ALA 2211CO -0.03 -0.12 -0.50 -0.39 0.00 0.00 0.00 179.25 178.21 1fxp h VAL 2212N 0.47 1.03 -0.19 0.00 -1.51 -1.24 0.12 116.25 114.93 1fxp h VAL 2212Ca 0.22 -1.97 -0.17 0.00 -1.23 0.00 0.00 66.70 63.55 1fxp h VAL 2212Cb 0.16 2.18 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1fxp h VAL 2212CO -0.17 0.49 -0.59 0.00 -1.23 0.00 0.00 177.57 176.07 1fxp h ALA 2213N 1.50 0.62 -0.06 5.19 0.00 -0.74 -3.17 119.26 122.59 1fxp h ALA 2213Ca -0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1fxp h ALA 2213Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1fxp h ALA 2213CO 0.07 0.70 -0.20 0.28 0.00 0.00 0.00 179.25 180.09 1fxp h VAL 2214N 0.46 1.44 0.00 0.00 2.07 -0.96 -3.47 116.25 115.79 1fxp h VAL 2214Ca -0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1fxp h VAL 2214Cb 1.15 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1fxp h VAL 2214CO 0.11 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.76 1fxp n GLY 2215N 0.60 3.03 3.39 2.17 0.00 0.42 -4.82 105.19 109.98 1fxp n GLY 2215Ca -0.08 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1fxp n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxp n ASP 2217N -0.28 1.23 0.00 0.00 8.00 0.77 -5.00 116.55 121.27 1fxp n ASP 2217Ca -0.04 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1fxp n ASP 2217Cb 0.63 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1fxp n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fxp n GLY 2218N 1.38 0.40 3.13 0.44 0.00 -1.11 -1.84 105.19 107.58 1fxp n GLY 2218Ca 0.11 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 1fxp n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fxp s VAL 2219N -2.00 1.05 -0.14 1.61 1.01 0.11 -1.28 120.40 120.77 1fxp s VAL 2219Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1fxp s VAL 2219Cb 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 1fxp s VAL 2219CO 0.00 0.03 -0.17 0.12 0.00 0.00 0.00 175.10 175.08 1fxp s PHE 2220N -0.77 2.74 -0.15 5.22 2.19 0.12 -0.79 117.98 126.54 1fxp s PHE 2220Ca 0.02 -1.02 -0.08 0.00 0.33 0.00 0.00 56.93 56.17 1fxp s PHE 2220Cb -0.07 -1.85 0.05 0.00 -1.31 0.00 0.00 43.02 39.84 1fxp s PHE 2220CO 0.01 -0.45 0.35 0.00 1.83 0.00 0.00 175.22 176.97 1fxp s MET 2221N 0.68 0.33 0.01 10.12 0.23 0.37 -0.63 119.30 130.41 1fxp s MET 2221Ca -0.08 0.69 -0.26 0.00 -1.03 0.00 0.00 55.69 55.01 1fxp s MET 2221Cb -0.16 -0.05 -0.05 0.00 -1.53 0.00 0.00 34.83 33.05 1fxp s MET 2221CO 0.02 -0.16 0.80 -1.21 -2.03 0.00 0.00 175.02 172.45 1fxp s GLU 2222N 1.30 4.51 0.00 3.16 2.02 -1.26 -3.25 118.70 125.18 1fxp s GLU 2222Ca -0.09 1.11 0.03 0.00 0.02 0.00 0.00 54.97 56.04 1fxp s GLU 2222Cb -0.09 -3.40 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 1fxp s GLU 2222CO -0.11 0.16 -0.08 -0.08 0.02 0.00 0.00 175.26 175.17 1fxp s THR 2223N 0.37 0.66 -0.07 3.63 -1.32 -0.35 0.02 115.64 118.58 1fxp s THR 2223Ca 0.41 -0.48 -0.06 0.00 -1.21 0.00 0.00 61.69 60.35 1fxp s THR 2223Cb -0.20 -0.58 0.02 0.00 -1.51 0.00 0.00 72.50 70.23 1fxp s THR 2223CO 0.23 0.10 0.18 -2.28 -2.21 0.00 0.00 174.62 170.64 1fxp s HIS 2224N -0.38 -0.19 0.24 9.09 5.04 -0.43 -2.61 115.29 126.05 1fxp s HIS 2224Ca 0.01 0.46 -0.06 0.00 -1.54 0.00 0.00 55.06 53.93 1fxp s HIS 2224Cb -0.04 0.06 0.43 0.00 0.04 0.00 0.00 32.58 33.07 1fxp s HIS 2224CO -0.00 -0.10 1.67 -1.35 -2.34 0.00 0.00 174.74 172.61 1fxp h PRO 2225N 5.81 0.18 -2.51 2.88 0.11 -1.95 -2.64 132.00 133.89 1fxp h PRO 2225Ca -0.25 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.25 1fxp h PRO 2225Cb 1.20 -0.04 -0.39 0.00 0.11 0.00 0.00 31.00 31.87 1fxp h PRO 2225CO 0.40 0.12 -0.88 0.39 -0.21 0.00 0.00 178.00 177.82 1fxp n GLU 2226N -5.24 0.69 -0.33 1.05 1.02 -1.26 -4.48 120.64 112.10 1fxp n GLU 2226Ca 0.13 -3.54 0.26 0.00 -0.02 0.00 0.00 57.16 54.00 1fxp n GLU 2226Cb 0.45 -1.81 0.50 0.00 -0.02 0.00 0.00 31.44 30.56 1fxp n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1fxp h PRO 2227N 5.43 0.07 -0.13 3.49 0.11 -1.85 0.35 132.00 139.48 1fxp h PRO 2227Ca 0.23 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1fxp h PRO 2227Cb 0.86 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1fxp h PRO 2227CO 0.47 0.05 0.03 1.05 -0.21 0.00 0.00 178.00 179.39 1fxp h GLU 2228N 0.07 0.18 -0.02 1.05 4.11 -1.93 -1.14 114.58 116.90 1fxp h GLU 2228Ca 0.77 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 60.18 1fxp h GLU 2228Cb 1.91 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1fxp h GLU 2228CO -0.76 0.17 -0.01 1.63 0.07 0.00 0.00 179.01 180.12 1fxp n LYS 2229N -4.46 1.70 -1.90 1.06 5.02 0.12 -4.93 118.16 114.78 1fxp n LYS 2229Ca -0.01 -1.03 -0.35 0.00 -2.02 0.00 0.00 58.31 54.89 1fxp n LYS 2229Cb 0.13 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1fxp n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fxp s ALA 2230N -2.01 2.47 -2.29 7.82 0.00 -0.43 -4.92 121.76 122.40 1fxp s ALA 2230Ca 0.37 0.94 0.20 0.00 0.00 0.00 0.00 51.96 53.47 1fxp s ALA 2230Cb 0.21 -3.44 0.64 0.00 0.00 0.00 0.00 23.12 20.53 1fxp s ALA 2230CO 0.34 -1.28 1.49 1.28 0.00 0.00 0.00 175.76 177.58 1fxp n LEU 2231N -1.85 2.04 -3.59 0.00 4.77 -1.26 -4.64 117.00 112.47 1fxp n LEU 2231Ca 0.13 -0.88 -0.15 0.00 -0.03 0.00 0.00 56.01 55.09 1fxp n LEU 2231Cb 0.50 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 1fxp n LEU 2231CO 0.45 0.44 0.47 -0.55 -1.33 0.00 0.00 177.39 176.87 1fxp s SER 2232N -1.49 -0.68 -1.56 -1.43 0.15 -1.26 -4.67 113.70 102.76 1fxp s SER 2232Ca 0.33 1.09 -0.08 0.00 0.70 0.00 0.00 55.95 57.99 1fxp s SER 2232Cb 0.18 1.03 0.07 0.00 -1.71 0.00 0.00 66.02 65.59 1fxp s SER 2232CO 0.26 -0.38 0.46 0.47 1.20 0.00 0.00 173.24 175.26 1fxp n ASP 2233N 1.91 -1.10 0.30 5.45 8.00 -1.26 -4.82 116.55 125.02 1fxp n ASP 2233Ca -0.16 -1.08 0.19 0.00 0.71 0.00 0.00 54.79 54.45 1fxp n ASP 2233Cb 0.56 -2.56 0.85 0.00 -0.02 0.00 0.00 41.12 39.95 1fxp n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fxp h ALA 2234N 0.86 1.00 -0.00 2.24 0.00 -1.82 -1.02 119.26 120.51 1fxp h ALA 2234Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1fxp h ALA 2234Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1fxp h ALA 2234CO 0.71 0.00 -0.59 0.43 0.00 0.00 0.00 179.25 179.80 1fxp n SER 2235N -3.08 0.85 0.00 0.00 7.64 -1.26 -4.05 113.62 113.72 1fxp n SER 2235Ca -0.01 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1fxp n SER 2235Cb 0.23 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1fxp n SER 2235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1fxp n THR 2236N -1.23 0.00 -1.99 0.44 -2.24 -1.00 -4.09 114.28 104.17 1fxp n THR 2236Ca 0.07 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1fxp n THR 2236Cb 0.35 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 1fxp n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fxp s GLN 2237N -1.18 4.24 0.14 -0.78 -0.21 -0.42 -4.85 119.66 116.61 1fxp s GLN 2237Ca 0.00 2.30 -0.30 0.00 0.02 0.00 0.00 55.36 57.38 1fxp s GLN 2237Cb 0.00 -3.16 -0.07 0.00 1.00 0.00 0.00 33.01 30.78 1fxp s GLN 2237CO 0.00 -0.54 1.19 -1.17 -2.12 0.00 0.00 175.29 172.65 1fxp s LEU 2238N 0.80 4.43 0.22 2.90 2.96 0.10 -4.74 118.68 125.36 1fxp s LEU 2238Ca 0.67 2.15 -0.31 0.00 -0.22 0.00 0.00 54.13 56.41 1fxp s LEU 2238Cb -0.42 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.56 1fxp s LEU 2238CO 0.34 -0.38 1.64 -2.84 -1.32 0.00 0.00 176.35 173.78 1fxp s PRO 2239N 0.17 4.15 0.33 0.98 0.02 -1.26 -1.31 135.00 138.07 1fxp s PRO 2239Ca 0.54 2.53 0.11 0.00 0.02 0.00 0.00 61.00 64.20 1fxp s PRO 2239Cb -0.31 -3.08 0.94 0.00 0.02 0.00 0.00 34.50 32.06 1fxp s PRO 2239CO 0.34 -0.67 1.72 1.25 -0.33 0.00 0.00 177.00 179.31 1fxp h LEU 2240N 6.22 0.64 -1.65 -5.54 6.46 -1.69 -0.73 115.31 119.02 1fxp h LEU 2240Ca -0.44 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1fxp h LEU 2240Cb 1.21 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1fxp h LEU 2240CO 0.90 0.06 0.00 0.77 -0.62 0.00 0.00 178.44 179.55 1fxp h SER 2241N 0.53 0.00 0.35 1.25 4.64 -1.89 -2.67 113.55 115.76 1fxp h SER 2241Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1fxp h SER 2241Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1fxp h SER 2241CO -0.49 0.00 -0.72 0.00 -0.87 0.00 0.00 176.83 174.75 1fxp n GLN 2242N -2.73 0.04 -0.07 4.77 6.02 -0.28 -4.45 117.38 120.67 1fxp n GLN 2242Ca -0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1fxp n GLN 2242Cb 0.18 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 1fxp n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fxp h LEU 2243N 0.00 0.09 -0.19 1.08 5.85 -1.51 -2.74 115.31 117.89 1fxp h LEU 2243Ca 0.00 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1fxp h LEU 2243Cb 0.53 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1fxp h LEU 2243CO 0.00 0.09 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.07 1fxp h GLU 2244N 0.21 0.02 -0.73 1.25 4.81 -1.78 -1.32 114.58 117.03 1fxp h GLU 2244Ca 0.12 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1fxp h GLU 2244Cb 0.10 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1fxp h GLU 2244CO -0.14 0.01 0.44 0.78 -0.73 0.00 0.00 179.01 179.38 1fxp h GLY 2245N 0.02 1.08 1.06 1.92 0.00 -1.81 -1.00 103.07 104.34 1fxp h GLY 2245Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.01 1fxp h GLY 2245CO -0.18 0.23 -0.01 -2.22 0.00 0.00 0.00 176.54 174.35 1fxp h ILE 2246N 0.82 1.27 -0.37 2.60 2.04 -1.17 -1.12 117.51 121.58 1fxp h ILE 2246Ca 0.32 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1fxp h ILE 2246Cb 0.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1fxp h ILE 2246CO -0.16 0.41 0.14 0.40 0.00 0.00 0.00 178.15 178.94 1fxp h ILE 2247N 0.88 1.20 -0.81 -0.67 2.04 -0.81 0.15 117.51 119.48 1fxp h ILE 2247Ca 0.16 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1fxp h ILE 2247Cb 0.56 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1fxp h ILE 2247CO 0.03 0.22 0.46 -0.08 0.00 0.00 0.00 178.15 178.77 1fxp h GLU 2248N 0.45 1.12 -0.33 2.37 4.57 -1.09 -1.24 114.58 120.43 1fxp h GLU 2248Ca 0.12 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1fxp h GLU 2248Cb 0.20 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1fxp h GLU 2248CO -0.01 0.82 0.15 0.00 -1.18 0.00 0.00 179.01 178.79 1fxp h ALA 2249N 1.24 0.43 0.00 2.92 0.00 -0.82 -1.88 119.26 121.15 1fxp h ALA 2249Ca 0.29 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1fxp h ALA 2249Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1fxp h ALA 2249CO -0.05 -0.01 -0.45 -0.84 0.00 0.00 0.00 179.25 177.91 1fxp h ILE 2250N 0.39 1.22 -0.37 0.00 3.07 -0.64 -1.56 117.51 119.63 1fxp h ILE 2250Ca 0.11 -1.58 -0.12 0.00 1.55 0.00 0.00 64.86 64.81 1fxp h ILE 2250Cb 0.13 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 38.55 1fxp h ILE 2250CO -0.01 0.44 -0.25 -0.07 -1.05 0.00 0.00 178.15 177.20 1fxp h LEU 2251N 0.00 0.86 -0.21 0.16 3.38 -1.01 -0.06 115.31 118.43 1fxp h LEU 2251Ca -0.00 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1fxp h LEU 2251Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1fxp h LEU 2251CO 0.06 1.11 0.05 -0.33 0.09 0.00 0.00 178.44 179.42 1fxp h GLU 2252N 0.62 0.34 -0.37 1.13 5.08 -1.14 -0.65 114.58 119.59 1fxp h GLU 2252Ca 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1fxp h GLU 2252Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1fxp h GLU 2252CO 0.07 0.47 0.19 0.82 -1.00 0.00 0.00 179.01 179.56 1fxp h ILE 2253N 0.16 1.15 -0.70 3.13 2.04 -1.26 -2.75 117.51 119.28 1fxp h ILE 2253Ca 0.07 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1fxp h ILE 2253Cb 0.29 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1fxp h ILE 2253CO 0.00 0.16 0.44 -0.09 0.00 0.00 0.00 178.15 178.67 1fxp h ARG 2254N 0.46 0.85 -0.49 2.37 2.43 -0.92 0.76 114.38 119.85 1fxp h ARG 2254Ca 0.13 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1fxp h ARG 2254Cb 0.09 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 1fxp h ARG 2254CO -0.02 0.56 0.16 1.49 -1.51 0.00 0.00 179.97 180.65 1fxp h GLU 2255N 0.87 0.31 0.01 0.20 4.22 -0.84 0.23 114.58 119.59 1fxp h GLU 2255Ca 0.28 -0.02 -0.17 0.00 0.08 0.00 0.00 59.36 59.53 1fxp h GLU 2255Cb 0.00 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1fxp h GLU 2255CO -0.10 0.21 -0.66 0.28 -2.18 0.00 0.00 179.01 176.55 1fxp h VAL 2256N 0.32 1.42 -0.02 0.32 2.07 -1.22 -3.35 116.25 115.79 1fxp h VAL 2256Ca 0.24 -2.13 -0.14 0.00 0.82 0.00 0.00 66.70 65.49 1fxp h VAL 2256Cb 0.27 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1fxp h VAL 2256CO -0.26 0.62 -0.63 0.00 0.02 0.00 0.00 177.57 177.32 1fxp h ALA 2257N 0.31 0.92 -0.60 1.67 0.00 -0.68 -3.24 119.26 117.64 1fxp h ALA 2257Ca -0.09 -0.57 0.17 0.00 0.00 0.00 0.00 54.91 54.43 1fxp h ALA 2257Cb 1.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1fxp h ALA 2257CO 0.13 0.77 0.54 0.66 0.00 0.00 0.00 179.25 181.35 1fxp h SER 2258N 0.06 0.00 -0.17 0.00 4.64 -0.67 0.35 113.55 117.75 1fxp h SER 2258Ca -0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1fxp h SER 2258Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1fxp h SER 2258CO 0.09 0.00 0.12 0.50 -0.87 0.00 0.00 176.83 176.67 1fxp h LYS 2259N 0.00 0.03 -0.14 4.77 3.64 -1.76 -2.60 116.57 120.52 1fxp h LYS 2259Ca 0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1fxp h LYS 2259Cb 1.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1fxp h LYS 2259CO -0.00 0.02 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 1fxp n TYR 2260N -4.49 0.16 -1.71 1.91 4.02 0.12 -4.97 117.16 112.19 1fxp n TYR 2260Ca 0.01 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.90 57.39 1fxp n TYR 2260Cb 0.23 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 1fxp n TYR 2260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1fxp n TYR 2261N 1.28 2.69 -2.16 -0.72 4.01 -0.98 -4.92 117.16 116.36 1fxp n TYR 2261Ca 0.14 0.08 -0.40 0.00 -0.16 0.00 0.00 57.90 57.57 1fxp n TYR 2261Cb 0.56 -2.65 -0.02 0.00 -0.31 0.00 0.00 39.34 36.91 1fxp n TYR 2261CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1fxp s GLU 2262N 1.02 4.26 -0.07 -0.72 8.01 -1.26 -4.94 118.70 125.00 1fxp s GLU 2262Ca 0.75 2.12 -0.30 0.00 0.01 0.00 0.00 54.97 57.55 1fxp s GLU 2262Cb -0.53 -2.97 -0.05 0.00 -4.31 0.00 0.00 34.13 26.27 1fxp s GLU 2262CO 0.34 -0.23 1.62 0.99 0.01 0.00 0.00 175.26 177.99 1fxp s THR 2263N -1.20 3.64 0.00 3.63 2.01 -1.26 -5.16 115.64 117.30 1fxp s THR 2263Ca 0.51 0.77 0.00 0.00 0.31 0.00 0.00 61.69 63.28 1fxp s THR 2263Cb -0.38 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1fxp s THR 2263CO 0.49 -0.08 0.00 0.00 -0.69 0.00 0.00 174.62 174.34