#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fws s LYS 2003N 0.00 2.90 0.21 3.49 -2.85 -1.26 -5.06 119.74 117.17 1fws s LYS 2003Ca 0.00 -1.14 -0.32 0.00 -1.00 0.00 0.00 55.97 53.51 1fws s LYS 2003Cb 0.00 -2.59 -0.13 0.00 -2.06 0.00 0.00 37.83 33.05 1fws s LYS 2003CO 0.00 0.21 1.49 0.34 0.10 0.00 0.00 175.35 177.49 1fws n PHE 2004N -1.36 2.27 -3.68 1.78 -0.00 -1.25 -4.62 117.46 110.61 1fws n PHE 2004Ca -0.04 0.35 -0.37 0.00 -0.00 0.00 0.00 57.45 57.39 1fws n PHE 2004Cb 0.59 -2.51 -0.06 0.00 -0.00 0.00 0.00 39.48 37.50 1fws n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1fws s LEU 2005N 0.37 4.35 -0.25 -2.13 2.96 -0.72 -0.78 118.68 122.49 1fws s LEU 2005Ca 0.72 0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 55.20 1fws s LEU 2005Cb -0.65 -2.28 0.07 0.00 0.50 0.00 0.00 46.19 43.83 1fws s LEU 2005CO 0.45 0.28 0.02 -0.69 -1.32 0.00 0.00 176.35 175.09 1fws s VAL 2006N -0.49 1.08 -0.30 1.68 1.01 -0.34 -0.64 120.40 122.41 1fws s VAL 2006Ca 0.17 -1.15 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 1fws s VAL 2006Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1fws s VAL 2006CO 0.06 -0.33 0.29 -0.63 0.00 0.00 0.00 175.10 174.48 1fws s ILE 2007N 1.57 5.23 0.06 2.22 1.01 -0.03 -1.10 121.20 130.16 1fws s ILE 2007Ca 0.01 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1fws s ILE 2007Cb -0.18 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 1fws s ILE 2007CO -0.12 0.09 0.16 0.00 0.00 0.00 0.00 174.94 175.07 1fws s ALA 2008N 1.90 -0.20 0.00 9.38 0.00 -0.28 -0.44 121.76 132.13 1fws s ALA 2008Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1fws s ALA 2008Cb -0.16 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1fws s ALA 2008CO 0.11 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1fws n GLY 2009N 0.34 0.15 3.76 0.00 0.00 -1.13 -0.70 105.19 107.62 1fws n GLY 2009Ca -0.17 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 1fws n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fws s PRO 2010N -1.88 4.59 0.15 1.61 0.04 -1.00 0.10 135.00 138.60 1fws s PRO 2010Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1fws s PRO 2010Cb 0.00 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 1fws s PRO 2010CO 0.00 0.18 1.57 0.00 0.04 0.00 0.00 177.00 178.79 1fws s ALA 2012N -5.80 2.75 -1.26 0.00 0.00 -1.26 -1.36 121.76 114.84 1fws s ALA 2012Ca -0.15 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.00 1fws s ALA 2012Cb 0.11 -0.48 0.10 0.00 0.00 0.00 0.00 23.12 22.86 1fws s ALA 2012CO 0.65 0.40 1.63 0.42 0.00 0.00 0.00 175.76 178.85 1fws s ILE 2013N -1.91 4.39 0.30 0.00 1.01 -0.35 -4.74 121.20 119.91 1fws s ILE 2013Ca 0.25 -2.07 0.34 0.00 0.00 0.00 0.00 60.65 59.17 1fws s ILE 2013Cb -0.07 -5.10 0.37 0.00 0.01 0.00 0.00 42.46 37.66 1fws s ILE 2013CO 0.13 -1.90 2.08 -0.33 0.00 0.00 0.00 174.94 174.92 1fws h GLU 2014N 7.56 0.00 0.00 2.79 5.08 -1.95 -3.41 114.58 124.65 1fws h GLU 2014Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1fws h GLU 2014Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1fws h GLU 2014CO 1.39 0.05 0.00 -1.13 -1.00 0.00 0.00 179.01 178.32 1fws n SER 2015N -3.23 0.00 0.26 1.42 3.41 -1.26 -4.99 113.62 109.23 1fws n SER 2015Ca -0.01 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.78 1fws n SER 2015Cb 0.25 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 64.98 1fws n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fws h GLU 2016N 0.00 0.00 0.01 4.33 4.11 -1.93 -1.97 114.58 119.12 1fws h GLU 2016Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1fws h GLU 2016Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fws h GLU 2016CO 0.00 0.00 -0.00 1.49 0.07 0.00 0.00 179.01 180.57 1fws h GLU 2017N 0.00 -0.01 -0.82 1.06 4.81 -1.98 -0.48 114.58 117.16 1fws h GLU 2017Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1fws h GLU 2017Cb 0.32 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1fws h GLU 2017CO 0.00 0.13 0.52 1.25 -0.73 0.00 0.00 179.01 180.18 1fws h LEU 2018N -0.15 0.85 -1.08 1.64 5.85 -1.75 -1.73 115.31 118.93 1fws h LEU 2018Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1fws h LEU 2018Cb 0.15 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1fws h LEU 2018CO 0.00 0.57 0.35 -0.07 -0.34 0.00 0.00 178.44 178.95 1fws h LEU 2019N 0.99 0.89 -0.47 2.25 3.38 -1.11 -1.88 115.31 119.38 1fws h LEU 2019Ca 0.34 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1fws h LEU 2019Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1fws h LEU 2019CO -0.13 0.75 -0.09 -0.07 0.09 0.00 0.00 178.44 178.99 1fws h LEU 2020N 0.99 0.88 -0.18 1.67 3.38 -0.26 0.41 115.31 122.21 1fws h LEU 2020Ca 0.25 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1fws h LEU 2020Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1fws h LEU 2020CO -0.03 1.03 0.09 0.50 0.09 0.00 0.00 178.44 180.11 1fws h LYS 2021N 0.72 0.25 -0.38 1.13 3.64 -1.04 -0.44 116.57 120.46 1fws h LYS 2021Ca 0.12 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 1fws h LYS 2021Cb 0.63 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1fws h LYS 2021CO 0.04 0.28 -0.31 0.28 -2.27 0.00 0.00 179.45 177.47 1fws h VAL 2022N 0.16 1.28 -0.50 2.00 2.07 -1.28 -2.90 116.25 117.08 1fws h VAL 2022Ca 0.06 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1fws h VAL 2022Cb 0.11 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1fws h VAL 2022CO -0.01 0.49 0.29 1.23 0.02 0.00 0.00 177.57 179.59 1fws h GLY 2023N 0.91 0.72 0.97 2.17 0.00 0.10 -0.97 103.07 106.97 1fws h GLY 2023Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1fws h GLY 2023CO 0.08 0.28 0.22 -2.09 0.00 0.00 0.00 176.54 175.03 1fws h GLU 2024N 0.68 0.75 -0.38 4.80 4.81 -0.88 0.20 114.58 124.56 1fws h GLU 2024Ca 0.18 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1fws h GLU 2024Cb -0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1fws h GLU 2024CO -0.03 0.65 -0.31 1.49 -0.73 0.00 0.00 179.01 180.08 1fws h GLU 2025N 0.68 0.89 -0.14 1.92 4.57 -1.35 -1.49 114.58 119.65 1fws h GLU 2025Ca 0.17 -0.44 -0.09 0.00 -1.18 0.00 0.00 59.36 57.82 1fws h GLU 2025Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1fws h GLU 2025CO -0.02 1.09 -0.32 0.82 -1.18 0.00 0.00 179.01 179.40 1fws h ILE 2026N 0.70 1.27 -0.30 2.32 2.04 -1.01 -1.44 117.51 121.09 1fws h ILE 2026Ca 0.07 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1fws h ILE 2026Cb 0.89 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1fws h ILE 2026CO 0.08 0.40 0.06 0.50 0.00 0.00 0.00 178.15 179.20 1fws h LYS 2027N 0.25 0.49 0.17 2.37 1.63 -0.39 -0.04 116.57 121.05 1fws h LYS 2027Ca 0.03 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1fws h LYS 2027Cb 0.70 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1fws h LYS 2027CO 0.05 0.57 -0.16 -0.09 -3.45 0.00 0.00 179.45 176.38 1fws h ARG 2028N 0.33 -0.34 -0.50 1.90 2.43 -0.90 -1.60 114.38 115.69 1fws h ARG 2028Ca 0.09 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1fws h ARG 2028Cb 0.31 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1fws h ARG 2028CO 0.00 -0.23 0.33 -0.07 -1.51 0.00 0.00 179.97 178.50 1fws h LEU 2029N -0.35 0.50 -1.21 3.80 4.07 -1.21 -0.07 115.31 120.85 1fws h LEU 2029Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1fws h LEU 2029Cb 0.33 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 1fws h LEU 2029CO -0.03 0.35 0.45 -1.28 -1.08 0.00 0.00 178.44 176.85 1fws h SER 2030N 0.59 0.87 1.75 -0.43 0.87 -0.22 0.19 113.55 117.18 1fws h SER 2030Ca 0.20 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1fws h SER 2030Cb 0.07 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1fws h SER 2030CO -0.05 0.66 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.40 1fws h GLU 2031N 1.01 0.00 0.11 2.24 4.39 -0.15 -3.29 114.58 118.89 1fws h GLU 2031Ca 0.27 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.66 1fws h GLU 2031Cb -0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1fws h GLU 2031CO -0.05 0.18 -1.57 -0.22 -1.16 0.00 0.00 179.01 176.19 1fws h LYS 2032N 0.00 0.24 -2.76 2.33 3.64 -0.06 -3.40 116.57 116.57 1fws h LYS 2032Ca -0.00 -0.42 -0.66 0.00 -1.27 0.00 0.00 60.65 58.30 1fws h LYS 2032Cb 1.11 0.15 -0.38 0.00 -0.41 0.00 0.00 32.23 32.70 1fws h LYS 2032CO 0.02 1.10 -0.26 1.19 -2.27 0.00 0.00 179.45 179.23 1fws n PHE 2033N -3.44 3.53 0.28 1.91 3.01 0.57 -4.91 117.46 118.41 1fws n PHE 2033Ca -0.17 -3.95 0.18 0.00 1.01 0.00 0.00 57.45 54.51 1fws n PHE 2033Cb 1.04 -0.82 0.98 0.00 -0.01 0.00 0.00 39.48 40.67 1fws n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1fws h LYS 2034N 5.06 0.00 -0.00 -1.08 1.79 -1.78 -1.02 116.57 119.53 1fws h LYS 2034Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1fws h LYS 2034Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1fws h LYS 2034CO 0.89 0.00 -0.13 -1.91 -1.08 0.00 0.00 179.45 177.22 1fws n GLU 2035N -2.78 0.50 -4.36 3.15 4.07 -1.26 -4.81 120.64 115.15 1fws n GLU 2035Ca -0.02 -0.16 -0.35 0.00 -0.06 0.00 0.00 57.16 56.57 1fws n GLU 2035Cb 0.08 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 29.87 1fws n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1fws s VAL 2036N -2.61 4.26 -0.40 6.31 1.01 -0.39 -3.87 120.40 124.71 1fws s VAL 2036Ca 0.25 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1fws s VAL 2036Cb 0.20 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1fws s VAL 2036CO 0.50 0.58 0.43 -0.70 0.00 0.00 0.00 175.10 175.91 1fws s GLU 2037N -0.59 3.23 0.09 2.72 2.12 0.04 -4.98 118.70 121.33 1fws s GLU 2037Ca 0.10 -0.65 -0.15 0.00 0.36 0.00 0.00 54.97 54.64 1fws s GLU 2037Cb -0.12 -3.92 -0.06 0.00 0.26 0.00 0.00 34.13 30.28 1fws s GLU 2037CO 0.02 -0.77 0.50 -0.06 -0.54 0.00 0.00 175.26 174.40 1fws s PHE 2038N 2.14 3.67 -0.07 5.30 0.40 -1.26 -1.20 117.98 126.96 1fws s PHE 2038Ca 0.13 1.04 -0.01 0.00 -0.60 0.00 0.00 56.93 57.49 1fws s PHE 2038Cb -0.17 -2.34 0.03 0.00 0.51 0.00 0.00 43.02 41.05 1fws s PHE 2038CO 0.13 0.53 -0.01 0.08 0.70 0.00 0.00 175.22 176.65 1fws s VAL 2039N -1.30 0.41 -0.05 -0.44 1.01 -0.26 -4.18 120.40 115.60 1fws s VAL 2039Ca 0.32 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1fws s VAL 2039Cb -0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1fws s VAL 2039CO 0.18 0.25 1.02 0.12 0.00 0.00 0.00 175.10 176.67 1fws s PHE 2040N 1.73 3.54 0.01 5.22 5.36 -0.43 -1.12 117.98 132.30 1fws s PHE 2040Ca 0.01 1.59 0.07 0.00 -0.96 0.00 0.00 56.93 57.65 1fws s PHE 2040Cb -0.13 -3.19 -0.02 0.00 -0.34 0.00 0.00 43.02 39.34 1fws s PHE 2040CO -0.04 -0.29 -0.22 0.21 -1.46 0.00 0.00 175.22 173.42 1fws s LYS 2041N 1.59 1.63 -0.29 10.12 2.36 0.12 -1.50 119.74 133.78 1fws s LYS 2041Ca 0.51 -0.88 -0.22 0.00 -2.55 0.00 0.00 55.97 52.83 1fws s LYS 2041Cb -0.20 -1.67 0.15 0.00 -1.05 0.00 0.00 37.83 35.06 1fws s LYS 2041CO 0.23 0.44 1.13 0.45 1.55 0.00 0.00 175.35 179.15 1fws s SER 2042N -0.86 -0.34 -0.03 1.43 0.15 -1.20 -3.16 113.70 109.70 1fws s SER 2042Ca 0.09 0.62 -0.21 0.00 0.70 0.00 0.00 55.95 57.14 1fws s SER 2042Cb -0.09 0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 64.98 1fws s SER 2042CO 0.01 -0.10 0.60 -0.44 1.20 0.00 0.00 173.24 174.50 1fws s SER 2043N 0.54 6.94 0.04 5.45 0.01 -0.47 -4.57 113.70 121.65 1fws s SER 2043Ca -0.00 1.12 0.28 0.00 1.31 0.00 0.00 55.95 58.66 1fws s SER 2043Cb -0.04 -2.36 1.02 0.00 0.21 0.00 0.00 66.02 64.84 1fws s SER 2043CO -0.11 0.05 1.80 2.22 0.41 0.00 0.00 173.24 177.61 1fws n PHE 2044N 3.02 0.18 -3.65 2.43 1.16 -1.26 -1.21 117.46 118.14 1fws n PHE 2044Ca -0.06 0.05 -0.07 0.00 -1.87 0.00 0.00 57.45 55.50 1fws n PHE 2044Cb 0.51 -0.54 -0.07 0.00 -1.61 0.00 0.00 39.48 37.76 1fws n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fws s ASP 2045N -3.31 -0.89 -0.94 5.98 2.15 -1.25 -3.83 116.67 114.58 1fws s ASP 2045Ca 0.13 1.42 -0.14 0.00 0.43 0.00 0.00 52.55 54.38 1fws s ASP 2045Cb 0.17 1.40 0.20 0.00 -0.30 0.00 0.00 42.92 44.39 1fws s ASP 2045CO 0.58 -0.23 0.99 -0.54 -0.17 0.00 0.00 175.17 175.80 1fws s LYS 2046N 1.77 3.75 0.00 4.34 -0.14 0.62 -4.86 119.74 125.22 1fws s LYS 2046Ca -0.09 -2.41 0.29 0.00 -1.36 0.00 0.00 55.97 52.40 1fws s LYS 2046Cb -0.06 -4.65 1.61 0.00 -1.68 0.00 0.00 37.83 33.04 1fws s LYS 2046CO -0.19 -1.46 2.05 0.00 -0.76 0.00 0.00 175.35 174.99 1fws n ALA 2047N 4.63 2.51 -1.92 5.17 0.00 -1.26 -3.94 120.51 125.70 1fws n ALA 2047Ca 0.21 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1fws n ALA 2047Cb 0.46 -1.47 0.13 0.00 0.00 0.00 0.00 19.45 18.57 1fws n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1fws n ASN 2048N -1.14 1.43 -4.73 0.00 2.04 -1.26 -5.09 115.26 106.51 1fws n ASN 2048Ca 0.18 -3.13 -0.36 0.00 -0.44 0.00 0.00 54.58 50.83 1fws n ASN 2048Cb 0.16 -0.43 0.08 0.00 -2.53 0.00 0.00 39.78 37.06 1fws n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1fws s ARG 2049N -1.95 2.37 0.09 -3.83 1.81 -1.25 -4.93 118.95 111.25 1fws s ARG 2049Ca 0.35 1.98 -0.18 0.00 -1.72 0.00 0.00 55.73 56.16 1fws s ARG 2049Cb 0.37 -1.84 -0.08 0.00 -0.45 0.00 0.00 34.95 32.95 1fws s ARG 2049CO -0.10 -1.71 1.51 0.77 -0.68 0.00 0.00 175.30 175.09 1fws h SER 2050N 0.24 0.46 -2.70 0.23 0.02 -1.98 -3.44 113.55 106.37 1fws h SER 2050Ca -0.50 -0.32 -0.66 0.00 -0.84 0.00 0.00 61.79 59.47 1fws h SER 2050Cb 1.32 -0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1fws h SER 2050CO 0.52 0.67 -0.48 -0.55 -1.14 0.00 0.00 176.83 175.84 1fws s SER 2051N -5.98 6.38 0.56 3.07 0.15 -1.26 -4.99 113.70 111.63 1fws s SER 2051Ca -0.14 0.42 0.33 0.00 0.70 0.00 0.00 55.95 57.27 1fws s SER 2051Cb 0.08 -2.04 1.58 0.00 -1.71 0.00 0.00 66.02 63.92 1fws s SER 2051CO 0.75 0.35 2.08 -0.29 1.20 0.00 0.00 173.24 177.34 1fws h ILE 2052N 3.54 0.23 -0.21 6.45 6.09 -2.03 -2.70 117.51 128.88 1fws h ILE 2052Ca -0.53 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.49 1fws h ILE 2052Cb 1.21 1.38 0.00 0.00 0.47 0.00 0.00 36.82 39.88 1fws h ILE 2052CO 0.62 0.06 0.00 1.41 -3.07 0.00 0.00 178.15 177.17 1fws n HIS 2053N -3.29 0.27 -2.56 2.19 8.25 -1.26 -4.94 115.22 113.88 1fws n HIS 2053Ca -0.01 -0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.05 1fws n HIS 2053Cb 0.25 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.37 1fws n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1fws s SER 2054N -1.53 5.94 0.18 0.41 0.01 -1.02 -5.03 113.70 112.67 1fws s SER 2054Ca 0.33 0.79 -0.31 0.00 1.31 0.00 0.00 55.95 58.07 1fws s SER 2054Cb 0.18 -1.96 -0.09 0.00 0.21 0.00 0.00 66.02 64.36 1fws s SER 2054CO 0.27 -0.80 1.45 0.12 0.41 0.00 0.00 173.24 174.69 1fws s PHE 2055N -2.84 3.12 -0.11 2.43 5.36 -1.26 -4.93 117.98 119.75 1fws s PHE 2055Ca 0.50 0.90 -0.03 0.00 -0.96 0.00 0.00 56.93 57.34 1fws s PHE 2055Cb -0.10 -3.80 -0.05 0.00 -0.34 0.00 0.00 43.02 38.72 1fws s PHE 2055CO 0.44 -2.76 -0.13 0.54 -1.46 0.00 0.00 175.22 171.86 1fws n ARG 2056N 3.29 0.24 -1.54 10.12 1.74 -1.26 -4.68 116.66 124.58 1fws n ARG 2056Ca 0.10 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1fws n ARG 2056Cb 0.40 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 1fws n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fws n GLY 2057N 2.54 -0.16 1.33 -0.13 0.00 -1.26 -0.28 105.19 107.23 1fws n GLY 2057Ca -0.21 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.23 1fws n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1fws n HIS 2058N 4.68 1.24 0.00 1.61 8.25 -1.26 -5.04 115.22 124.71 1fws n HIS 2058Ca 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1fws n HIS 2058Cb 0.00 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1fws n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fws n GLY 2059N 0.77 1.88 0.27 -1.41 0.00 -1.25 -4.40 105.19 101.04 1fws n GLY 2059Ca 0.23 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 1fws n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fws h LEU 2060N 0.00 0.88 0.26 0.99 5.85 -1.98 -1.93 115.31 119.38 1fws h LEU 2060Ca 0.00 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1fws h LEU 2060Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 1fws h LEU 2060CO 0.00 0.93 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.57 1fws h GLU 2061N 0.79 -0.34 -0.99 1.25 5.08 -1.97 0.49 114.58 118.90 1fws h GLU 2061Ca 0.16 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1fws h GLU 2061Cb 0.44 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1fws h GLU 2061CO 0.01 -0.13 0.65 -0.92 -1.00 0.00 0.00 179.01 177.62 1fws h TYR 2062N -0.48 1.21 0.16 4.33 3.20 -1.76 -1.81 116.97 121.81 1fws h TYR 2062Ca -0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1fws h TYR 2062Cb 0.36 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1fws h TYR 2062CO -0.02 0.71 -0.08 0.78 -1.64 0.00 0.00 178.16 177.91 1fws h GLY 2063N 1.26 -0.22 1.59 1.82 0.00 -1.09 -1.45 103.07 104.97 1fws h GLY 2063Ca 0.39 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1fws h GLY 2063CO -0.12 -0.08 0.28 -2.08 0.00 0.00 0.00 176.54 174.54 1fws h VAL 2064N -0.40 1.11 -0.28 4.60 2.07 -0.74 -0.61 116.25 121.98 1fws h VAL 2064Ca -0.02 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1fws h VAL 2064Cb 0.32 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1fws h VAL 2064CO 0.04 0.10 -0.07 0.50 0.02 0.00 0.00 177.57 178.16 1fws h LYS 2065N 0.57 0.55 -0.62 1.57 3.64 -1.18 -0.43 116.57 120.66 1fws h LYS 2065Ca 0.15 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1fws h LYS 2065Cb -0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1fws h LYS 2065CO -0.03 0.75 0.22 0.00 -2.27 0.00 0.00 179.45 178.12 1fws h ALA 2066N 0.78 0.81 -0.32 5.00 0.00 -0.64 -1.44 119.26 123.46 1fws h ALA 2066Ca 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1fws h ALA 2066Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1fws h ALA 2066CO 0.03 0.46 -0.10 -0.07 0.00 0.00 0.00 179.25 179.57 1fws h LEU 2067N 0.88 0.51 -0.34 0.00 3.38 -1.03 -2.04 115.31 116.68 1fws h LEU 2067Ca 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1fws h LEU 2067Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1fws h LEU 2067CO -0.01 0.65 0.19 0.03 0.09 0.00 0.00 178.44 179.39 1fws h ARG 2068N 0.50 0.47 -0.98 1.13 3.08 -0.51 -2.12 114.38 115.94 1fws h ARG 2068Ca 0.09 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1fws h ARG 2068Cb 0.47 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 1fws h ARG 2068CO 0.03 0.39 0.63 -0.22 -1.07 0.00 0.00 179.97 179.73 1fws h LYS 2069N 0.42 1.03 -0.15 0.04 1.63 -0.65 0.11 116.57 118.99 1fws h LYS 2069Ca 0.12 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1fws h LYS 2069Cb 0.06 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1fws h LYS 2069CO -0.02 0.68 0.01 0.28 -3.45 0.00 0.00 179.45 176.95 1fws h VAL 2070N 1.06 1.25 -0.69 2.00 2.07 -1.00 -0.55 116.25 120.38 1fws h VAL 2070Ca 0.45 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1fws h VAL 2070Cb 0.32 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1fws h VAL 2070CO -0.20 0.24 0.22 0.50 0.02 0.00 0.00 177.57 178.35 1fws h LYS 2071N 0.02 1.07 -0.12 1.57 3.64 -0.81 -0.43 116.57 121.52 1fws h LYS 2071Ca 0.04 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1fws h LYS 2071Cb 0.36 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1fws h LYS 2071CO 0.01 0.92 -0.15 0.93 -2.27 0.00 0.00 179.45 178.89 1fws h GLU 2072N 1.01 0.32 0.00 1.90 5.08 -0.98 0.59 114.58 122.50 1fws h GLU 2072Ca 0.22 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1fws h GLU 2072Cb 0.29 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1fws h GLU 2072CO -0.01 0.74 -0.52 1.49 -1.00 0.00 0.00 179.01 179.71 1fws h GLU 2073N -0.08 0.00 0.00 2.33 4.81 -1.07 -3.35 114.58 117.22 1fws h GLU 2073Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1fws h GLU 2073Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1fws h GLU 2073CO 0.04 0.52 0.00 1.19 -0.73 0.00 0.00 179.01 180.02 1fws n PHE 2074N -3.75 0.00 -3.07 0.92 3.72 -0.17 -5.02 117.46 110.08 1fws n PHE 2074Ca -0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1fws n PHE 2074Cb 0.56 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.14 1fws n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fws n GLY 2075N 0.42 -0.46 3.86 1.37 0.00 0.20 -4.99 105.19 105.60 1fws n GLY 2075Ca 0.00 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1fws n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fws s LEU 2076N -6.46 4.28 0.70 0.99 1.43 -1.23 -5.04 118.68 113.35 1fws s LEU 2076Ca 0.33 0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 1fws s LEU 2076Cb -0.15 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1fws s LEU 2076CO 0.41 0.36 1.14 -0.54 0.23 0.00 0.00 176.35 177.95 1fws s LYS 2077N -1.28 2.46 0.13 1.70 1.02 -1.26 -4.38 119.74 118.13 1fws s LYS 2077Ca 0.18 1.48 0.09 0.00 0.02 0.00 0.00 55.97 57.75 1fws s LYS 2077Cb -0.12 -1.90 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1fws s LYS 2077CO 0.08 -1.53 -0.22 0.42 -0.92 0.00 0.00 175.35 173.18 1fws s ILE 2078N -2.31 1.91 -0.14 2.17 -1.09 -1.26 -1.31 121.20 119.17 1fws s ILE 2078Ca 0.68 -1.71 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 1fws s ILE 2078Cb -0.23 -1.76 0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1fws s ILE 2078CO 0.45 -0.08 0.35 0.28 -1.23 0.00 0.00 174.94 174.71 1fws s THR 2079N -1.35 -0.01 0.14 2.92 -1.32 -0.56 0.12 115.64 115.58 1fws s THR 2079Ca 0.11 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.47 1fws s THR 2079Cb -0.09 -0.50 0.03 0.00 -1.51 0.00 0.00 72.50 70.42 1fws s THR 2079CO 0.06 0.01 0.40 0.28 -2.21 0.00 0.00 174.62 173.16 1fws s THR 2080N 0.52 0.06 0.04 5.08 -1.32 -1.20 -3.21 115.64 115.61 1fws s THR 2080Ca -0.03 -0.73 -0.02 0.00 -1.21 0.00 0.00 61.69 59.71 1fws s THR 2080Cb -0.04 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.58 1fws s THR 2080CO -0.03 -0.29 0.22 1.51 -2.21 0.00 0.00 174.62 173.81 1fws s ASP 2081N -2.84 6.38 0.21 8.08 -4.77 -1.26 -1.07 116.67 121.41 1fws s ASP 2081Ca 0.06 0.33 0.08 0.00 -3.30 0.00 0.00 52.55 49.72 1fws s ASP 2081Cb 0.02 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 39.81 1fws s ASP 2081CO -0.09 0.20 0.04 0.27 0.70 0.00 0.00 175.17 176.28 1fws s ILE 2082N -1.45 3.81 0.00 2.11 -4.36 -0.85 -4.77 121.20 115.69 1fws s ILE 2082Ca 0.33 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1fws s ILE 2082Cb -0.13 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1fws s ILE 2082CO 0.24 -0.21 0.00 1.41 0.24 0.00 0.00 174.94 176.62 1fws n HIS 2083N -0.48 0.00 -3.92 1.37 8.25 -1.26 -4.36 115.22 114.82 1fws n HIS 2083Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1fws n HIS 2083Cb 0.56 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 1fws n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1fws s GLU 2084N -1.43 0.36 0.28 -0.41 2.02 -1.26 -5.07 118.70 113.19 1fws s GLU 2084Ca 0.00 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1fws s GLU 2084Cb 0.00 0.14 0.66 0.00 0.10 0.00 0.00 34.13 35.03 1fws s GLU 2084CO 0.00 -0.07 1.67 0.77 0.02 0.00 0.00 175.26 177.65 1fws h SER 2085N 4.65 0.10 -0.02 -0.19 0.02 -1.91 -1.63 113.55 114.58 1fws h SER 2085Ca -0.31 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1fws h SER 2085Cb 1.20 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 1fws h SER 2085CO 0.41 -0.09 0.05 4.11 -1.14 0.00 0.00 176.83 180.18 1fws h TRP 2086N 0.28 0.00 0.00 3.45 5.08 -1.97 -2.39 115.95 120.40 1fws h TRP 2086Ca 0.53 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.48 1fws h TRP 2086Cb 1.01 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1fws h TRP 2086CO -0.23 0.00 -0.09 1.96 -1.28 0.00 0.00 178.44 178.81 1fws h GLN 2087N 0.00 0.00 -0.28 0.12 4.20 -1.72 -3.36 115.11 114.07 1fws h GLN 2087Ca 0.01 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1fws h GLN 2087Cb 0.11 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 1fws h GLN 2087CO -0.00 0.09 -0.11 0.00 -0.67 0.00 0.00 178.83 178.14 1fws h ALA 2088N 1.91 0.13 0.75 3.87 0.00 -1.57 -2.11 119.26 122.24 1fws h ALA 2088Ca -0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1fws h ALA 2088Cb 0.90 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1fws h ALA 2088CO 0.01 -0.51 -0.36 1.49 0.00 0.00 0.00 179.25 179.89 1fws h GLU 2089N -0.06 -0.97 -0.37 0.00 4.81 -1.79 -0.65 114.58 115.55 1fws h GLU 2089Ca 0.14 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1fws h GLU 2089Cb 0.27 0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1fws h GLU 2089CO -0.32 -0.65 0.17 -1.00 -0.73 0.00 0.00 179.01 176.49 1fws h PRO 2090N -1.00 0.51 -0.14 0.92 0.13 -1.77 -2.39 132.00 128.27 1fws h PRO 2090Ca -0.10 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.82 1fws h PRO 2090Cb 0.77 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1fws h PRO 2090CO 0.17 0.41 -0.57 0.28 -0.23 0.00 0.00 178.00 178.06 1fws h VAL 2091N 0.52 1.34 0.00 1.56 2.07 -1.31 -2.95 116.25 117.48 1fws h VAL 2091Ca 0.13 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1fws h VAL 2091Cb 0.07 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1fws h VAL 2091CO -0.02 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1fws h ALA 2092N 1.07 1.00 0.00 1.67 0.00 -0.57 -0.52 119.26 121.91 1fws h ALA 2092Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fws h ALA 2092Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1fws h ALA 2092CO 0.10 0.00 -0.08 0.93 0.00 0.00 0.00 179.25 180.20 1fws h GLU 2093N 0.00 0.00 0.00 0.00 4.39 -1.49 -3.32 114.58 114.16 1fws h GLU 2093Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fws h GLU 2093Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1fws h GLU 2093CO 0.00 0.08 -0.85 0.28 -1.16 0.00 0.00 179.01 177.36 1fws n VAL 2094N -4.16 0.00 -2.57 3.13 0.31 -0.80 -5.04 118.33 109.21 1fws n VAL 2094Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 1fws n VAL 2094Cb 0.17 -0.82 -0.02 0.00 -0.91 0.00 0.00 33.84 32.26 1fws n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fws s ALA 2095N -1.85 3.63 0.17 3.52 0.00 -0.27 -4.47 121.76 122.48 1fws s ALA 2095Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1fws s ALA 2095Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1fws s ALA 2095CO 0.00 -1.01 1.39 -0.44 0.00 0.00 0.00 175.76 175.70 1fws h ASP 2096N 7.64 0.17 -3.24 0.00 3.32 -0.64 -3.43 116.42 120.25 1fws h ASP 2096Ca -0.24 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.12 1fws h ASP 2096Cb 1.09 -0.05 -0.36 0.00 0.22 0.00 0.00 39.33 40.23 1fws h ASP 2096CO 0.95 0.96 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.99 1fws s ILE 2097N -3.16 1.22 -0.20 0.35 1.01 -0.76 -2.39 121.20 117.28 1fws s ILE 2097Ca -0.02 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1fws s ILE 2097Cb 0.10 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1fws s ILE 2097CO 0.82 0.39 0.48 -0.63 0.00 0.00 0.00 174.94 176.01 1fws s ILE 2098N 1.31 5.13 -0.08 2.92 1.01 0.33 -3.24 121.20 128.58 1fws s ILE 2098Ca -0.01 0.88 -0.14 0.00 0.00 0.00 0.00 60.65 61.38 1fws s ILE 2098Cb -0.14 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1fws s ILE 2098CO -0.05 0.20 0.35 -1.58 0.00 0.00 0.00 174.94 173.86 1fws s GLN 2099N 1.55 4.04 -0.24 2.79 0.74 -0.23 -0.95 119.66 127.35 1fws s GLN 2099Ca 0.23 0.25 -0.07 0.00 0.05 0.00 0.00 55.36 55.82 1fws s GLN 2099Cb -0.15 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 1fws s GLN 2099CO 0.09 0.47 0.05 0.42 -0.55 0.00 0.00 175.29 175.77 1fws s ILE 2100N -0.31 4.11 0.58 -2.34 -1.09 0.32 -2.02 121.20 120.46 1fws s ILE 2100Ca 0.21 -0.24 -0.19 0.00 -2.23 0.00 0.00 60.65 58.20 1fws s ILE 2100Cb -0.15 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 1fws s ILE 2100CO 0.09 0.36 1.01 -2.65 -1.23 0.00 0.00 174.94 172.51 1fws n PRO 2101N 4.89 1.01 -0.12 2.79 -0.02 -1.26 -1.37 135.00 140.91 1fws n PRO 2101Ca -0.17 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.64 1fws n PRO 2101Cb 0.51 -2.20 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1fws n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fws h ALA 2102N 0.66 0.45 0.00 3.55 0.00 -1.89 -1.08 119.26 120.94 1fws h ALA 2102Ca -0.48 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1fws h ALA 2102Cb 1.36 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1fws h ALA 2102CO 0.52 -0.27 -0.04 0.74 0.00 0.00 0.00 179.25 180.20 1fws h PHE 2103N 0.28 0.00 -0.54 0.00 0.04 -1.91 -2.80 116.94 112.01 1fws h PHE 2103Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1fws h PHE 2103Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1fws h PHE 2103CO -0.16 0.04 0.00 1.28 -0.60 0.00 0.00 178.31 178.88 1fws n LEU 2104N -3.34 4.08 0.00 1.54 4.77 -0.46 -4.61 117.00 118.98 1fws n LEU 2104Ca -0.02 -2.34 0.04 0.00 -0.03 0.00 0.00 56.01 53.67 1fws n LEU 2104Cb 0.19 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 41.00 1fws n LEU 2104CO 0.26 0.81 0.61 0.00 -1.33 0.00 0.00 177.39 177.74 1fws n ARG 2106N -1.41 0.55 -2.45 0.00 1.74 -1.26 -4.91 116.66 108.92 1fws n ARG 2106Ca 0.03 -1.11 -0.40 0.00 -0.77 0.00 0.00 57.85 55.60 1fws n ARG 2106Cb 0.09 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1fws n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fws s GLN 2107N -0.91 3.14 0.21 5.56 -1.52 -0.87 -4.89 119.66 120.38 1fws s GLN 2107Ca 0.12 -0.27 -0.14 0.00 -1.95 0.00 0.00 55.36 53.13 1fws s GLN 2107Cb 0.09 -4.48 0.25 0.00 -0.22 0.00 0.00 33.01 28.65 1fws s GLN 2107CO 0.14 -2.32 1.62 1.15 -0.25 0.00 0.00 175.29 175.63 1fws h THR 2108N 6.37 0.32 -0.36 -0.19 2.02 -1.91 -1.97 112.91 117.20 1fws h THR 2108Ca -0.17 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1fws h THR 2108Cb 1.06 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1fws h THR 2108CO 1.29 0.00 0.12 0.44 0.37 0.00 0.00 175.52 177.74 1fws h ASP 2109N -0.01 0.47 -0.33 4.18 3.32 -1.99 -0.59 116.42 121.47 1fws h ASP 2109Ca 0.31 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1fws h ASP 2109Cb 0.49 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1fws h ASP 2109CO -0.68 0.45 -0.20 0.25 -1.72 0.00 0.00 179.24 177.34 1fws h LEU 2110N 0.51 0.74 -0.33 1.55 5.85 -1.75 0.98 115.31 122.86 1fws h LEU 2110Ca 0.12 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1fws h LEU 2110Cb 0.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1fws h LEU 2110CO -0.01 1.01 0.09 -0.07 -0.34 0.00 0.00 178.44 179.12 1fws h LEU 2111N 0.48 0.49 -0.60 2.25 3.38 -1.11 -1.50 115.31 118.70 1fws h LEU 2111Ca 0.07 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1fws h LEU 2111Cb 0.75 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1fws h LEU 2111CO 0.06 0.58 0.10 -0.07 0.09 0.00 0.00 178.44 179.20 1fws h LEU 2112N 0.38 0.95 -0.58 1.67 3.38 -1.05 -0.78 115.31 119.28 1fws h LEU 2112Ca 0.10 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1fws h LEU 2112Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1fws h LEU 2112CO -0.00 0.96 0.38 0.00 0.09 0.00 0.00 178.44 179.87 1fws h ALA 2113N 1.02 0.74 -0.34 1.53 0.00 -0.66 -0.44 119.26 121.11 1fws h ALA 2113Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1fws h ALA 2113Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1fws h ALA 2113CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1fws h ALA 2114N 1.23 0.46 -0.37 0.00 0.00 -1.04 -3.00 119.26 116.53 1fws h ALA 2114Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1fws h ALA 2114Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1fws h ALA 2114CO -0.06 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.53 1fws h ALA 2115N 0.86 1.52 0.00 0.00 0.00 -0.81 -2.66 119.26 118.17 1fws h ALA 2115Ca 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1fws h ALA 2115Cb 0.45 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fws h ALA 2115CO 0.02 0.36 -0.13 -0.22 0.00 0.00 0.00 179.25 179.28 1fws h LYS 2116N 0.53 0.00 0.00 0.00 3.64 -0.94 -2.55 116.57 117.25 1fws h LYS 2116Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1fws h LYS 2116Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1fws h LYS 2116CO -0.01 0.13 0.00 0.25 -2.27 0.00 0.00 179.45 177.55 1fws n THR 2117N -3.73 0.86 -0.16 1.00 -2.24 -1.00 -4.86 114.28 104.15 1fws n THR 2117Ca -0.02 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1fws n THR 2117Cb 0.24 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 1fws n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fws n GLY 2118N -0.13 1.97 3.84 3.38 0.00 -0.96 -5.03 105.19 108.27 1fws n GLY 2118Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1fws n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fws s ARG 2119N -0.25 1.53 0.53 1.61 1.81 -1.26 -4.92 118.95 118.00 1fws s ARG 2119Ca 0.00 0.21 -0.17 0.00 -1.72 0.00 0.00 55.73 54.04 1fws s ARG 2119Cb 0.00 -1.89 -0.07 0.00 -0.45 0.00 0.00 34.95 32.54 1fws s ARG 2119CO 0.00 -1.92 1.02 0.00 -0.68 0.00 0.00 175.30 173.72 1fws s ALA 2120N -3.42 2.91 -0.07 2.13 0.00 -1.01 -4.76 121.76 117.55 1fws s ALA 2120Ca 0.63 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1fws s ALA 2120Cb -0.13 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1fws s ALA 2120CO 0.51 -0.41 -0.13 0.08 0.00 0.00 0.00 175.76 175.81 1fws s VAL 2121N -2.40 1.20 -0.25 0.00 1.01 -0.54 -0.51 120.40 118.90 1fws s VAL 2121Ca 0.62 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1fws s VAL 2121Cb -0.13 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1fws s VAL 2121CO 0.29 0.37 -0.06 0.21 0.00 0.00 0.00 175.10 175.91 1fws s ASN 2122N 0.72 4.37 -0.24 3.32 3.04 -0.13 -0.90 114.94 125.13 1fws s ASN 2122Ca -0.13 -0.93 -0.10 0.00 0.04 0.00 0.00 52.86 51.74 1fws s ASN 2122Cb -0.16 -1.66 -0.05 0.00 -1.54 0.00 0.00 41.25 37.84 1fws s ASN 2122CO 0.03 -0.14 0.13 -0.69 -3.04 0.00 0.00 177.10 173.39 1fws s VAL 2123N 1.31 5.09 -0.02 -5.21 1.01 -0.30 -0.52 120.40 121.77 1fws s VAL 2123Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1fws s VAL 2123Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1fws s VAL 2123CO -0.04 0.35 1.18 -0.54 0.00 0.00 0.00 175.10 176.04 1fws s LYS 2124N 1.15 4.39 -0.04 2.72 -0.14 -0.47 -1.04 119.74 126.32 1fws s LYS 2124Ca 0.06 1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 56.05 1fws s LYS 2124Cb -0.14 -3.48 -0.05 0.00 -1.68 0.00 0.00 37.83 32.47 1fws s LYS 2124CO 0.05 -0.35 1.52 0.21 -0.76 0.00 0.00 175.35 176.02 1fws s LYS 2125N 1.75 4.22 0.49 1.68 2.20 -0.22 -4.02 119.74 125.85 1fws s LYS 2125Ca 0.56 2.06 -0.22 0.00 -0.36 0.00 0.00 55.97 58.01 1fws s LYS 2125Cb -0.26 -3.79 -0.08 0.00 -1.51 0.00 0.00 37.83 32.19 1fws s LYS 2125CO 0.25 -0.73 1.05 0.41 -0.36 0.00 0.00 175.35 175.96 1fws n GLY 2126N 3.90 -0.08 0.05 5.54 0.00 -1.24 -4.60 105.19 108.75 1fws n GLY 2126Ca 0.15 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1fws n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fws n GLN 2127N -0.28 0.06 0.00 1.61 3.00 -1.26 -1.60 117.38 118.91 1fws n GLN 2127Ca 0.10 0.40 0.10 0.00 -0.01 0.00 0.00 57.00 57.59 1fws n GLN 2127Cb 0.42 -1.64 -0.05 0.00 0.00 0.00 0.00 30.24 28.97 1fws n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1fws n PHE 2128N -1.77 0.00 -3.36 1.08 1.16 -1.26 -1.07 117.46 112.25 1fws n PHE 2128Ca 0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.23 1fws n PHE 2128Cb 0.12 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.93 1fws n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1fws s LEU 2129N -2.58 4.39 0.40 5.98 2.96 -0.63 -5.05 118.68 124.15 1fws s LEU 2129Ca 0.13 1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 55.07 1fws s LEU 2129Cb 0.16 -3.12 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 1fws s LEU 2129CO 0.64 0.16 0.72 0.00 -1.32 0.00 0.00 176.35 176.55 1fws s ALA 2130N -1.35 3.44 0.20 5.97 0.00 -1.26 -4.89 121.76 123.87 1fws s ALA 2130Ca 0.34 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 1fws s ALA 2130Cb -0.16 -2.55 0.24 0.00 0.00 0.00 0.00 23.12 20.65 1fws s ALA 2130CO 0.19 -0.07 1.76 -1.35 0.00 0.00 0.00 175.76 176.29 1fws h PRO 2131N 0.99 0.42 0.00 0.00 0.11 -1.98 -1.62 132.00 129.93 1fws h PRO 2131Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1fws h PRO 2131Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fws h PRO 2131CO 0.63 0.28 -0.04 0.11 -0.21 0.00 0.00 178.00 178.77 1fws h TRP 2132N 0.44 0.00 0.00 0.65 0.09 -1.94 -2.53 115.95 112.65 1fws h TRP 2132Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.27 1fws h TRP 2132Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.55 1fws h TRP 2132CO -0.15 0.04 0.00 -0.25 0.09 0.00 0.00 178.44 178.17 1fws n ASP 2133N -3.17 0.00 0.06 0.11 8.00 -0.61 -2.63 116.55 118.30 1fws n ASP 2133Ca -0.00 0.26 0.13 0.00 0.71 0.00 0.00 54.79 55.90 1fws n ASP 2133Cb 0.29 -0.39 0.46 0.00 -0.02 0.00 0.00 41.12 41.46 1fws n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1fws n THR 2134N -1.39 0.36 -0.29 -3.53 -2.24 -0.95 -3.57 114.28 102.67 1fws n THR 2134Ca 0.06 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1fws n THR 2134Cb 0.16 -0.51 0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1fws n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1fws h LYS 2135N 0.00 1.06 0.00 -0.78 3.64 -1.72 -1.53 116.57 117.24 1fws h LYS 2135Ca 0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1fws h LYS 2135Cb 0.65 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1fws h LYS 2135CO 0.00 0.71 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.68 1fws h ASN 2136N 1.08 0.00 -0.24 4.20 -0.26 -1.80 -1.83 115.58 116.74 1fws h ASN 2136Ca 0.29 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 1fws h ASN 2136Cb -0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1fws h ASN 2136CO -0.06 0.30 -0.02 0.58 -1.06 0.00 0.00 177.43 177.17 1fws h VAL 2137N 0.00 1.26 -0.61 2.81 2.07 -1.45 -2.15 116.25 118.18 1fws h VAL 2137Ca -0.00 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1fws h VAL 2137Cb 0.54 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1fws h VAL 2137CO 0.04 0.29 0.36 0.58 0.02 0.00 0.00 177.57 178.86 1fws h VAL 2138N 0.19 1.18 -0.73 2.57 2.07 -1.09 -2.49 116.25 117.95 1fws h VAL 2138Ca 0.07 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1fws h VAL 2138Cb 0.44 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1fws h VAL 2138CO 0.02 0.19 0.48 -0.08 0.02 0.00 0.00 177.57 178.20 1fws h GLU 2139N 0.83 0.85 -0.38 1.57 4.81 -1.17 0.00 114.58 121.09 1fws h GLU 2139Ca 0.22 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1fws h GLU 2139Cb -0.01 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1fws h GLU 2139CO -0.04 0.56 0.10 0.87 -0.73 0.00 0.00 179.01 179.77 1fws h LYS 2140N 0.88 0.61 -0.67 1.92 1.57 -0.95 -1.05 116.57 118.87 1fws h LYS 2140Ca 0.30 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1fws h LYS 2140Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1fws h LYS 2140CO -0.09 0.64 0.12 -0.07 -0.57 0.00 0.00 179.45 179.47 1fws h LEU 2141N 0.47 1.06 -0.47 2.94 3.38 -1.03 -0.88 115.31 120.78 1fws h LEU 2141Ca 0.12 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1fws h LEU 2141Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1fws h LEU 2141CO 0.00 1.05 0.08 0.11 0.09 0.00 0.00 178.44 179.77 1fws h LYS 2142N 1.03 0.78 -0.38 1.13 1.57 -0.91 0.53 116.57 120.33 1fws h LYS 2142Ca 0.21 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1fws h LYS 2142Cb 0.43 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1fws h LYS 2142CO 0.01 0.79 0.25 0.35 -0.57 0.00 0.00 179.45 180.28 1fws h PHE 2143N 0.65 0.46 -0.00 -1.35 3.57 -0.94 -0.13 116.94 119.20 1fws h PHE 2143Ca 0.14 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1fws h PHE 2143Cb 0.38 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1fws h PHE 2143CO 0.03 0.29 0.00 0.41 -2.23 0.00 0.00 178.31 176.81 1fws n GLY 2144N -1.48 -0.96 0.53 2.40 0.00 -0.36 -4.89 105.19 100.43 1fws n GLY 2144Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1fws n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fws n GLY 2145N 0.94 0.63 3.77 -0.02 0.00 -0.06 -3.83 105.19 106.61 1fws n GLY 2145Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1fws n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fws s ALA 2146N -2.32 3.30 0.00 4.61 0.00 0.11 -4.94 121.76 122.52 1fws s ALA 2146Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1fws s ALA 2146Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1fws s ALA 2146CO 0.00 -0.51 0.00 1.63 0.00 0.00 0.00 175.76 176.88 1fws n LYS 2147N 0.48 1.69 -3.91 0.00 5.02 -1.26 -4.35 118.16 115.84 1fws n LYS 2147Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 1fws n LYS 2147Cb 0.45 -0.85 -0.13 0.00 -0.02 0.00 0.00 35.03 34.47 1fws n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fws s GLU 2148N -1.46 2.02 -0.08 1.97 2.12 -1.26 -5.09 118.70 116.93 1fws s GLU 2148Ca 0.00 -1.62 0.04 0.00 0.36 0.00 0.00 54.97 53.75 1fws s GLU 2148Cb 0.00 -3.30 -0.00 0.00 0.26 0.00 0.00 34.13 31.09 1fws s GLU 2148CO 0.00 -0.86 -0.22 0.42 -0.54 0.00 0.00 175.26 174.07 1fws s ILE 2149N 1.11 1.85 0.10 -3.70 1.01 -1.26 -1.47 121.20 118.84 1fws s ILE 2149Ca 0.03 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.86 1fws s ILE 2149Cb -0.21 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1fws s ILE 2149CO -0.04 0.51 -0.24 -0.31 0.00 0.00 0.00 174.94 174.86 1fws s TYR 2150N 0.20 2.04 -0.08 3.97 1.51 -0.08 -2.66 117.35 122.24 1fws s TYR 2150Ca -0.12 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 1fws s TYR 2150Cb -0.16 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 1fws s TYR 2150CO 0.06 0.24 -0.19 -0.51 -1.11 0.00 0.00 175.55 174.03 1fws s LEU 2151N -1.82 1.91 -0.17 -1.29 1.43 -0.39 -1.15 118.68 117.21 1fws s LEU 2151Ca 0.10 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 1fws s LEU 2151Cb -0.10 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 1fws s LEU 2151CO 0.04 0.11 -0.06 -0.89 0.23 0.00 0.00 176.35 175.79 1fws s THR 2152N 0.44 3.58 -0.17 5.49 2.01 -0.21 -1.03 115.64 125.76 1fws s THR 2152Ca -0.16 -0.46 -0.27 0.00 0.31 0.00 0.00 61.69 61.11 1fws s THR 2152Cb -0.17 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1fws s THR 2152CO 0.07 0.48 0.92 -0.70 -0.69 0.00 0.00 174.62 174.70 1fws s GLU 2153N 0.65 4.32 -0.02 4.92 2.56 0.34 -1.05 118.70 130.42 1fws s GLU 2153Ca -0.03 1.18 0.13 0.00 0.00 0.00 0.00 54.97 56.25 1fws s GLU 2153Cb -0.15 -3.58 0.22 0.00 2.00 0.00 0.00 34.13 32.62 1fws s GLU 2153CO 0.02 -0.40 1.09 2.89 -0.56 0.00 0.00 175.26 178.31 1fws n ARG 2154N 5.44 0.15 0.00 4.30 -4.01 -1.26 -0.66 116.66 120.61 1fws n ARG 2154Ca 0.07 -1.63 0.00 0.00 -1.04 0.00 0.00 57.85 55.25 1fws n ARG 2154Cb 0.48 -0.40 0.00 0.00 -3.04 0.00 0.00 32.46 29.50 1fws n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1fws n GLY 2155N 0.07 1.89 3.17 2.89 0.00 -1.26 -3.78 105.19 108.17 1fws n GLY 2155Ca 0.04 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 1fws n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fws s THR 2156N -2.87 1.24 0.00 2.61 2.01 -0.21 -4.33 115.64 114.10 1fws s THR 2156Ca 0.00 -1.04 -0.34 0.00 0.31 0.00 0.00 61.69 60.62 1fws s THR 2156Cb 0.00 -1.11 -0.13 0.00 0.01 0.00 0.00 72.50 71.27 1fws s THR 2156CO 0.00 0.05 1.76 0.41 -0.69 0.00 0.00 174.62 176.15 1fws n THR 2157N 1.89 0.36 -3.69 -0.82 -1.04 -0.23 -1.64 114.28 109.11 1fws n THR 2157Ca -0.18 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 1fws n THR 2157Cb 0.54 -1.73 -0.13 0.00 -1.82 0.00 0.00 70.33 67.20 1fws n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1fws s PHE 2158N 2.85 1.97 0.00 -1.42 5.36 -0.69 -4.85 117.98 121.20 1fws s PHE 2158Ca 0.88 -2.45 0.00 0.00 -0.96 0.00 0.00 56.93 54.40 1fws s PHE 2158Cb -0.70 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1fws s PHE 2158CO 0.47 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.87 1fws n GLY 2159N 3.40 -0.37 3.87 13.12 0.00 -1.26 -4.31 105.19 119.65 1fws n GLY 2159Ca 0.11 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1fws n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fws s TYR 2160N 0.00 3.62 -1.39 1.61 2.02 -1.26 -4.46 117.35 117.49 1fws s TYR 2160Ca 0.00 0.66 -0.09 0.00 -0.37 0.00 0.00 57.07 57.27 1fws s TYR 2160Cb 0.00 -2.04 0.06 0.00 -0.40 0.00 0.00 41.96 39.58 1fws s TYR 2160CO 0.00 0.67 0.60 0.09 -1.57 0.00 0.00 175.55 175.34 1fws n ASN 2161N 1.63 -4.46 -3.68 2.29 3.02 -1.26 -4.96 115.26 107.84 1fws n ASN 2161Ca -0.15 -0.43 -0.15 0.00 -0.03 0.00 0.00 54.58 53.82 1fws n ASN 2161Cb 0.54 -3.64 -0.08 0.00 -0.61 0.00 0.00 39.78 35.99 1fws n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1fws s ASN 2162N -2.81 -0.37 0.06 6.41 3.04 -1.26 -4.06 114.94 115.95 1fws s ASN 2162Ca 0.42 0.41 0.06 0.00 0.04 0.00 0.00 52.86 53.79 1fws s ASN 2162Cb -0.21 0.48 -0.03 0.00 -1.54 0.00 0.00 41.25 39.95 1fws s ASN 2162CO 0.52 -0.45 -0.16 -0.76 -3.04 0.00 0.00 177.10 173.21 1fws s LEU 2163N -1.03 2.23 0.05 3.21 1.43 -1.26 -1.71 118.68 121.60 1fws s LEU 2163Ca -0.11 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1fws s LEU 2163Cb -0.03 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 1fws s LEU 2163CO 0.05 0.02 -0.19 0.54 0.23 0.00 0.00 176.35 177.00 1fws s VAL 2164N -1.06 1.49 -0.36 -1.59 0.11 -0.65 -4.87 120.40 113.47 1fws s VAL 2164Ca 0.02 -1.20 -0.13 0.00 -2.93 0.00 0.00 61.98 57.74 1fws s VAL 2164Cb -0.09 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1fws s VAL 2164CO 0.02 0.08 0.24 -0.69 -3.33 0.00 0.00 175.10 171.42 1fws s VAL 2165N -0.89 5.05 -0.60 2.04 1.01 -1.26 -1.04 120.40 124.70 1fws s VAL 2165Ca 0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1fws s VAL 2165Cb -0.09 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.72 1fws s VAL 2165CO 0.02 -0.11 0.72 -0.62 0.00 0.00 0.00 175.10 175.11 1fws s ASP 2166N 1.67 6.20 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.60 1fws s ASP 2166Ca 0.05 -1.45 0.06 0.00 -0.52 0.00 0.00 52.55 50.69 1fws s ASP 2166Cb -0.18 -2.31 0.27 0.00 -1.46 0.00 0.00 42.92 39.24 1fws s ASP 2166CO 0.09 -1.12 1.14 0.49 0.52 0.00 0.00 175.17 176.29 1fws n PHE 2167N 6.34 0.00 0.29 -5.34 3.01 -1.26 -1.59 117.46 118.91 1fws n PHE 2167Ca -0.09 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.54 1fws n PHE 2167Cb 0.43 -0.43 0.83 0.00 -0.01 0.00 0.00 39.48 40.30 1fws n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fws h ARG 2168N 0.00 0.00 -0.32 -1.08 3.08 -2.03 -2.70 114.38 111.32 1fws h ARG 2168Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1fws h ARG 2168Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1fws h ARG 2168CO 0.00 0.06 0.05 0.66 -1.07 0.00 0.00 179.97 179.67 1fws h SER 2169N 0.00 0.43 0.45 7.04 4.64 -1.72 -3.02 113.55 121.37 1fws h SER 2169Ca -0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1fws h SER 2169Cb 0.31 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1fws h SER 2169CO 0.01 0.46 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.99 1fws h LEU 2170N 0.46 -0.96 -1.42 5.97 4.07 -1.71 0.15 115.31 121.87 1fws h LEU 2170Ca 0.11 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.08 1fws h LEU 2170Cb 0.22 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1fws h LEU 2170CO 0.00 -0.53 -0.29 1.55 -1.08 0.00 0.00 178.44 178.09 1fws h PRO 2171N -0.81 0.00 0.06 1.13 0.13 -1.74 -2.26 132.00 128.51 1fws h PRO 2171Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1fws h PRO 2171Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1fws h PRO 2171CO -0.01 0.29 -0.03 0.82 -0.23 0.00 0.00 178.00 178.84 1fws h ILE 2172N 0.00 1.20 0.00 -3.56 2.04 -1.36 -3.16 117.51 112.66 1fws h ILE 2172Ca -0.00 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1fws h ILE 2172Cb 0.53 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1fws h ILE 2172CO 0.04 0.22 -0.20 0.24 0.00 0.00 0.00 178.15 178.45 1fws h MET 2173N -0.47 0.00 0.00 2.37 2.86 -0.91 -2.57 114.93 116.21 1fws h MET 2173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1fws h MET 2173Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1fws h MET 2173CO 0.01 0.20 0.00 -0.22 1.06 0.00 0.00 176.91 177.96 1fws h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.37 -2.03 116.57 116.52 1fws h LYS 2174Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1fws h LYS 2174Cb 0.47 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1fws h LYS 2174CO 0.03 0.00 -0.06 1.96 -3.45 0.00 0.00 179.45 177.93 1fws h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.54 -3.31 115.11 116.36 1fws h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1fws h GLN 2175Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1fws h GLN 2175CO 0.00 0.06 0.00 -2.67 -0.67 0.00 0.00 178.83 175.55 1fws n TRP 2176N -3.35 0.00 -3.59 2.96 2.14 -0.80 -5.12 117.44 109.68 1fws n TRP 2176Ca -0.02 -0.06 -0.04 0.00 2.07 0.00 0.00 57.50 59.45 1fws n TRP 2176Cb 0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.69 1fws n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fws s ALA 2177N -0.13 -1.98 0.37 -1.67 0.00 -1.00 -4.98 121.76 112.38 1fws s ALA 2177Ca 0.00 1.09 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 1fws s ALA 2177Cb 0.00 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.25 1fws s ALA 2177CO 0.00 -0.76 1.12 0.15 0.00 0.00 0.00 175.76 176.28 1fws s LYS 2178N -2.73 4.21 -0.12 0.00 1.02 -1.09 -4.08 119.74 116.96 1fws s LYS 2178Ca 0.09 1.75 -0.00 0.00 0.02 0.00 0.00 55.97 57.83 1fws s LYS 2178Cb 0.00 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1fws s LYS 2178CO -0.05 -0.16 -0.12 0.08 -0.92 0.00 0.00 175.35 174.19 1fws s VAL 2179N -1.42 3.20 -0.04 3.17 1.01 -1.26 -1.26 120.40 123.79 1fws s VAL 2179Ca 0.54 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1fws s VAL 2179Cb -0.29 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1fws s VAL 2179CO 0.36 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 175.17 1fws s ILE 2180N 0.19 2.63 -0.24 2.22 -1.09 -0.19 0.33 121.20 125.04 1fws s ILE 2180Ca -0.07 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 1fws s ILE 2180Cb -0.15 -1.99 -0.03 0.00 -1.58 0.00 0.00 42.46 38.72 1fws s ILE 2180CO 0.05 0.59 0.06 -0.47 -1.23 0.00 0.00 174.94 173.93 1fws s TYR 2181N -0.65 3.09 -0.66 3.97 5.04 -0.59 -0.50 117.35 127.05 1fws s TYR 2181Ca 0.10 -0.41 -0.24 0.00 -2.44 0.00 0.00 57.07 54.08 1fws s TYR 2181Cb -0.11 -2.22 0.05 0.00 0.35 0.00 0.00 41.96 40.04 1fws s TYR 2181CO 0.00 -0.33 1.05 0.34 -1.34 0.00 0.00 175.55 175.27 1fws s ASP 2182N 1.50 6.21 0.44 4.32 -1.08 0.16 -0.35 116.67 127.87 1fws s ASP 2182Ca 0.06 -0.71 0.28 0.00 -0.52 0.00 0.00 52.55 51.66 1fws s ASP 2182Cb -0.15 -2.46 0.97 0.00 -1.46 0.00 0.00 42.92 39.82 1fws s ASP 2182CO 0.03 -1.51 1.82 0.00 0.52 0.00 0.00 175.17 176.03 1fws h ALA 2183N 9.64 1.00 0.01 3.66 0.00 -1.34 -3.18 119.26 129.06 1fws h ALA 2183Ca -0.28 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.24 1fws h ALA 2183Cb 1.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1fws h ALA 2183CO 1.19 0.00 -2.44 0.25 0.00 0.00 0.00 179.25 178.25 1fws n THR 2184N -2.88 1.51 0.20 0.00 -2.24 -1.26 -4.46 114.28 105.16 1fws n THR 2184Ca 0.02 -0.58 0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1fws n THR 2184Cb 0.37 -1.44 0.22 0.00 -2.10 0.00 0.00 70.33 67.38 1fws n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1fws h HIS 2185N 0.01 0.00 0.00 4.78 3.86 -1.90 -3.24 115.15 118.65 1fws h HIS 2185Ca -0.57 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.63 1fws h HIS 2185Cb 1.91 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.38 1fws h HIS 2185CO 0.03 0.17 -0.04 0.77 0.86 0.00 0.00 177.93 179.72 1fws h SER 2186N 0.00 0.00 -0.22 2.45 0.02 -1.64 -2.68 113.55 111.48 1fws h SER 2186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fws h SER 2186Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1fws h SER 2186CO 0.02 0.04 0.00 1.33 -1.14 0.00 0.00 176.83 177.08 1fws n VAL 2187N -3.25 0.41 -2.55 2.27 0.24 -1.22 -4.69 118.33 109.54 1fws n VAL 2187Ca -0.01 -0.70 -0.33 0.00 -2.04 0.00 0.00 64.34 61.25 1fws n VAL 2187Cb 0.21 0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 1fws n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fws s GLN 2188N -1.20 3.90 -0.50 7.34 -2.07 -1.01 -4.66 119.66 121.45 1fws s GLN 2188Ca 0.25 1.21 -0.10 0.00 -1.82 0.00 0.00 55.36 54.90 1fws s GLN 2188Cb 0.15 -2.12 0.13 0.00 -1.09 0.00 0.00 33.01 30.08 1fws s GLN 2188CO 0.21 -0.33 0.39 -0.51 -1.32 0.00 0.00 175.29 173.73 1fws s LEU 2189N -3.59 5.79 0.07 2.60 1.43 -1.26 -4.33 118.68 119.39 1fws s LEU 2189Ca 0.64 -1.97 -0.37 0.00 -1.03 0.00 0.00 54.13 51.41 1fws s LEU 2189Cb -0.13 -2.04 -0.18 0.00 0.03 0.00 0.00 46.19 43.87 1fws s LEU 2189CO 0.21 -0.70 1.07 -2.65 0.23 0.00 0.00 176.35 174.51 1fws n PRO 2190N 4.86 0.41 -0.44 1.29 -0.02 -1.26 -4.88 135.00 134.96 1fws n PRO 2190Ca -0.07 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1fws n PRO 2190Cb 0.41 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1fws n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fws n GLY 2191N 1.85 0.44 0.47 -1.23 0.00 -1.26 -4.27 105.19 101.18 1fws n GLY 2191Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1fws n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fws n GLY 2199N -2.00 0.00 1.65 -0.02 0.00 -1.26 -5.06 105.19 98.49 1fws n GLY 2199Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fws n GLY 2199CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fws n MET 2200N 0.38 0.00 -0.18 1.61 0.00 -1.26 -4.89 117.12 112.79 1fws n MET 2200Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 57.70 57.90 1fws n MET 2200Cb 0.00 -0.11 0.58 0.00 0.00 0.00 0.00 33.22 33.69 1fws n MET 2200CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1fws h ARG 2201N 0.00 0.26 0.00 0.03 2.43 -1.88 -0.45 114.38 114.77 1fws h ARG 2201Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1fws h ARG 2201Cb 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1fws h ARG 2201CO 0.00 0.17 0.00 1.05 -1.51 0.00 0.00 179.97 179.68 1fws h GLU 2202N 0.27 0.00 -0.02 0.20 4.11 -1.94 -2.30 114.58 114.91 1fws h GLU 2202Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1fws h GLU 2202Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1fws h GLU 2202CO -0.11 0.00 -0.40 1.19 0.07 0.00 0.00 179.01 179.77 1fws n PHE 2203N -2.50 0.00 0.34 2.06 0.99 -0.18 -4.58 117.46 113.59 1fws n PHE 2203Ca -0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.27 1fws n PHE 2203Cb 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.50 1fws n PHE 2203CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1fws h ILE 2204N 2.57 0.37 -0.27 4.37 2.04 -1.49 -2.55 117.51 122.56 1fws h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1fws h ILE 2204Cb 0.75 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1fws h ILE 2204CO 0.00 0.00 0.15 0.15 0.00 0.00 0.00 178.15 178.45 1fws h PHE 2205N -0.84 0.37 -0.60 1.37 3.57 -1.81 -1.74 116.94 117.26 1fws h PHE 2205Ca -0.08 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1fws h PHE 2205Cb 0.65 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1fws h PHE 2205CO -0.04 0.31 0.32 -1.35 -2.23 0.00 0.00 178.31 175.32 1fws h PRO 2206N 0.32 0.59 0.00 6.41 0.11 -1.80 -1.57 132.00 136.06 1fws h PRO 2206Ca 0.09 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 1fws h PRO 2206Cb 0.07 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1fws h PRO 2206CO -0.01 0.39 -0.61 -0.07 -0.21 0.00 0.00 178.00 177.49 1fws h LEU 2207N 0.61 0.00 -0.78 2.35 3.38 -1.36 -2.40 115.31 117.11 1fws h LEU 2207Ca 0.27 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 1fws h LEU 2207Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1fws h LEU 2207CO -0.17 0.61 -0.59 -0.29 0.09 0.00 0.00 178.44 178.09 1fws h ILE 2208N 0.00 1.41 -0.46 1.22 2.10 -0.96 -1.37 117.51 119.46 1fws h ILE 2208Ca -0.01 -2.00 -0.12 0.00 1.08 0.00 0.00 64.86 63.81 1fws h ILE 2208Cb 1.11 2.06 -0.01 0.00 -1.09 0.00 0.00 36.82 38.89 1fws h ILE 2208CO 0.08 0.58 -0.20 0.03 -1.08 0.00 0.00 178.15 177.55 1fws h ARG 2209N 0.05 0.93 -0.50 2.19 3.08 -1.00 -2.70 114.38 116.43 1fws h ARG 2209Ca -0.01 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1fws h ARG 2209Cb 1.06 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1fws h ARG 2209CO 0.08 1.04 0.23 0.00 -1.07 0.00 0.00 179.97 180.26 1fws h ALA 2210N 0.95 0.65 -0.39 0.04 0.00 -1.12 -1.48 119.26 117.91 1fws h ALA 2210Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1fws h ALA 2210Cb 0.76 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1fws h ALA 2210CO 0.06 0.22 0.11 0.00 0.00 0.00 0.00 179.25 179.64 1fws h ALA 2211N 1.08 0.44 0.00 0.00 0.00 -1.03 0.20 119.26 119.95 1fws h ALA 2211Ca 0.17 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1fws h ALA 2211Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fws h ALA 2211CO -0.02 -0.29 -0.54 -0.39 0.00 0.00 0.00 179.25 178.01 1fws h VAL 2212N 0.25 1.14 -0.50 0.00 -1.51 -1.39 0.20 116.25 114.44 1fws h VAL 2212Ca 0.19 -2.01 -0.13 0.00 -1.23 0.00 0.00 66.70 63.52 1fws h VAL 2212Cb 0.20 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1fws h VAL 2212CO -0.22 0.52 -0.19 0.00 -1.23 0.00 0.00 177.57 176.45 1fws h ALA 2213N 1.46 0.70 -0.11 5.19 0.00 -0.39 -3.06 119.26 123.05 1fws h ALA 2213Ca -0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1fws h ALA 2213Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1fws h ALA 2213CO 0.07 0.68 -0.40 0.28 0.00 0.00 0.00 179.25 179.87 1fws h VAL 2214N 0.88 1.37 0.00 0.00 2.07 -0.48 -3.47 116.25 116.62 1fws h VAL 2214Ca 0.12 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1fws h VAL 2214Cb 0.77 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1fws h VAL 2214CO 0.06 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1fws n GLY 2215N 0.61 2.82 3.43 2.17 0.00 0.71 -4.83 105.19 110.09 1fws n GLY 2215Ca -0.08 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1fws n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fws n ASP 2217N -0.41 1.20 0.00 0.00 8.00 0.15 -4.99 116.55 120.50 1fws n ASP 2217Ca 0.00 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1fws n ASP 2217Cb 0.63 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 1fws n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fws n GLY 2218N 1.40 0.15 3.12 0.44 0.00 -1.06 -1.75 105.19 107.49 1fws n GLY 2218Ca 0.10 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 1fws n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fws s VAL 2219N -2.00 1.03 -0.15 1.61 1.01 0.19 -1.54 120.40 120.56 1fws s VAL 2219Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1fws s VAL 2219Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1fws s VAL 2219CO 0.00 0.01 -0.12 0.12 0.00 0.00 0.00 175.10 175.11 1fws s PHE 2220N -0.80 2.84 -0.09 5.22 2.19 0.52 -0.85 117.98 127.01 1fws s PHE 2220Ca 0.01 -0.75 -0.04 0.00 0.33 0.00 0.00 56.93 56.49 1fws s PHE 2220Cb -0.07 -1.89 0.05 0.00 -1.31 0.00 0.00 43.02 39.79 1fws s PHE 2220CO 0.01 -0.30 0.18 -1.64 1.83 0.00 0.00 175.22 175.29 1fws s MET 2221N 0.59 0.06 0.08 10.12 -1.94 0.42 -0.95 119.30 127.68 1fws s MET 2221Ca -0.07 0.58 -0.27 0.00 -1.71 0.00 0.00 55.69 54.22 1fws s MET 2221Cb -0.15 -0.23 -0.06 0.00 2.01 0.00 0.00 34.83 36.40 1fws s MET 2221CO 0.03 -0.29 0.83 -1.21 -0.01 0.00 0.00 175.02 174.37 1fws s GLU 2222N 2.22 4.57 0.03 2.03 2.02 -1.26 -2.83 118.70 125.48 1fws s GLU 2222Ca 0.02 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.23 1fws s GLU 2222Cb -0.12 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 1fws s GLU 2222CO -0.06 0.29 -0.07 -0.08 0.02 0.00 0.00 175.26 175.36 1fws s THR 2223N -0.14 0.46 -0.09 3.63 -1.32 0.11 -1.18 115.64 117.11 1fws s THR 2223Ca 0.41 -0.82 -0.11 0.00 -1.21 0.00 0.00 61.69 59.96 1fws s THR 2223Cb -0.22 -0.50 0.03 0.00 -1.51 0.00 0.00 72.50 70.30 1fws s THR 2223CO 0.25 -0.25 0.29 -2.28 -2.21 0.00 0.00 174.62 170.42 1fws s HIS 2224N -1.02 -0.28 0.25 9.09 5.04 -0.23 -2.38 115.29 125.76 1fws s HIS 2224Ca -0.07 0.65 -0.04 0.00 -1.54 0.00 0.00 55.06 54.07 1fws s HIS 2224Cb -0.08 0.10 0.46 0.00 0.04 0.00 0.00 32.58 33.10 1fws s HIS 2224CO 0.00 -0.20 1.75 -1.35 -2.34 0.00 0.00 174.74 172.60 1fws h PRO 2225N 5.30 0.52 -2.44 2.88 0.11 -1.94 -2.03 132.00 134.38 1fws h PRO 2225Ca -0.27 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.22 1fws h PRO 2225Cb 1.19 -0.12 -0.38 0.00 0.11 0.00 0.00 31.00 31.80 1fws h PRO 2225CO 0.34 0.34 -0.93 -1.21 -0.21 0.00 0.00 178.00 176.33 1fws s GLU 2226N -6.01 1.06 0.36 1.05 2.02 -1.26 -4.47 118.70 111.45 1fws s GLU 2226Ca -0.12 -2.23 0.17 0.00 0.02 0.00 0.00 54.97 52.81 1fws s GLU 2226Cb 0.20 -1.62 1.15 0.00 0.10 0.00 0.00 34.13 33.96 1fws s GLU 2226CO 0.77 -1.37 1.66 -1.35 0.02 0.00 0.00 175.26 174.98 1fws h PRO 2227N 5.64 0.27 -0.02 0.39 0.11 -1.86 0.18 132.00 136.70 1fws h PRO 2227Ca 0.25 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.35 1fws h PRO 2227Cb 0.89 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1fws h PRO 2227CO 0.40 0.18 0.07 1.05 -0.21 0.00 0.00 178.00 179.49 1fws h GLU 2228N 0.28 0.00 -0.02 1.05 4.11 -1.93 -0.87 114.58 117.19 1fws h GLU 2228Ca 0.75 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.18 1fws h GLU 2228Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1fws h GLU 2228CO -0.58 0.00 -0.08 1.63 0.07 0.00 0.00 179.01 180.04 1fws n LYS 2229N -3.32 1.51 -1.81 1.06 5.02 0.61 -5.00 118.16 116.23 1fws n LYS 2229Ca -0.02 -1.39 -0.38 0.00 -2.02 0.00 0.00 58.31 54.50 1fws n LYS 2229Cb 0.14 -1.33 0.04 0.00 -0.02 0.00 0.00 35.03 33.86 1fws n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fws s ALA 2230N -1.60 2.82 -2.32 7.82 0.00 -0.33 -4.90 121.76 123.25 1fws s ALA 2230Ca 0.19 1.31 0.22 0.00 0.00 0.00 0.00 51.96 53.68 1fws s ALA 2230Cb 0.15 -3.56 0.79 0.00 0.00 0.00 0.00 23.12 20.49 1fws s ALA 2230CO 0.27 -1.34 1.57 1.28 0.00 0.00 0.00 175.76 177.55 1fws n LEU 2231N -1.01 1.69 -3.66 0.00 4.77 -1.26 -4.56 117.00 112.97 1fws n LEU 2231Ca 0.10 -0.68 -0.15 0.00 -0.03 0.00 0.00 56.01 55.25 1fws n LEU 2231Cb 0.45 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1fws n LEU 2231CO 0.52 0.34 0.23 -0.55 -1.33 0.00 0.00 177.39 176.60 1fws s SER 2232N -1.63 -0.48 -1.44 -1.43 0.15 -1.26 -4.44 113.70 103.17 1fws s SER 2232Ca 0.33 0.65 -0.09 0.00 0.70 0.00 0.00 55.95 57.54 1fws s SER 2232Cb 0.18 0.67 0.09 0.00 -1.71 0.00 0.00 66.02 65.26 1fws s SER 2232CO 0.27 -0.40 0.24 0.47 1.20 0.00 0.00 173.24 175.02 1fws n ASP 2233N 1.71 -0.29 -0.29 5.45 8.00 -1.26 -4.80 116.55 125.07 1fws n ASP 2233Ca -0.18 -1.07 -0.01 0.00 0.71 0.00 0.00 54.79 54.24 1fws n ASP 2233Cb 0.56 -1.35 0.16 0.00 -0.02 0.00 0.00 41.12 40.48 1fws n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fws h ALA 2234N 1.01 1.32 0.00 2.24 0.00 -1.80 -1.52 119.26 120.51 1fws h ALA 2234Ca -0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1fws h ALA 2234Cb 1.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1fws h ALA 2234CO 0.67 0.60 0.00 0.77 0.00 0.00 0.00 179.25 181.29 1fws h SER 2235N 1.18 0.00 0.00 0.00 0.02 -1.87 -3.32 113.55 109.56 1fws h SER 2235Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1fws h SER 2235Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1fws h SER 2235CO -0.06 0.00 -0.22 0.35 -1.14 0.00 0.00 176.83 175.76 1fws n THR 2236N -2.75 0.00 -2.21 -2.27 -2.24 -0.98 -4.08 114.28 99.76 1fws n THR 2236Ca 0.01 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 1fws n THR 2236Cb 0.26 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1fws n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fws s GLN 2237N -1.27 4.38 0.12 -0.78 -0.21 -0.61 -4.85 119.66 116.44 1fws s GLN 2237Ca 0.00 2.06 -0.30 0.00 0.02 0.00 0.00 55.36 57.15 1fws s GLN 2237Cb 0.01 -3.19 -0.06 0.00 1.00 0.00 0.00 33.01 30.76 1fws s GLN 2237CO 0.05 -0.27 1.07 -1.17 -2.12 0.00 0.00 175.29 172.85 1fws s LEU 2238N -0.06 4.46 0.23 2.90 2.96 -0.33 -4.75 118.68 124.09 1fws s LEU 2238Ca 0.57 1.96 -0.31 0.00 -0.22 0.00 0.00 54.13 56.13 1fws s LEU 2238Cb -0.37 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.62 1fws s LEU 2238CO 0.38 -0.23 1.59 -2.84 -1.32 0.00 0.00 176.35 173.93 1fws s PRO 2239N 0.13 4.17 0.30 0.98 0.02 -1.26 -1.06 135.00 138.29 1fws s PRO 2239Ca 0.51 2.48 0.06 0.00 0.02 0.00 0.00 61.00 64.07 1fws s PRO 2239Cb -0.27 -3.08 0.80 0.00 0.02 0.00 0.00 34.50 31.97 1fws s PRO 2239CO 0.32 -0.62 1.71 1.25 -0.33 0.00 0.00 177.00 179.33 1fws h LEU 2240N 5.85 0.47 -2.55 -5.54 6.46 -1.58 -0.33 115.31 118.07 1fws h LEU 2240Ca -0.45 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1fws h LEU 2240Cb 1.21 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1fws h LEU 2240CO 0.86 0.03 0.06 0.77 -0.62 0.00 0.00 178.44 179.54 1fws h SER 2241N 0.46 0.00 0.27 1.25 4.64 -1.89 -1.93 113.55 116.35 1fws h SER 2241Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1fws h SER 2241Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1fws h SER 2241CO -0.51 0.00 -0.43 0.00 -0.87 0.00 0.00 176.83 175.02 1fws n GLN 2242N -3.55 0.54 -0.10 4.77 6.02 -0.14 -4.42 117.38 120.51 1fws n GLN 2242Ca -0.02 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.00 56.53 1fws n GLN 2242Cb 0.14 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 1fws n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1fws h LEU 2243N 0.86 0.40 -0.15 1.08 5.85 -1.38 -2.79 115.31 119.18 1fws h LEU 2243Ca 0.00 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1fws h LEU 2243Cb 0.53 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1fws h LEU 2243CO 0.00 0.36 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.37 1fws h GLU 2244N 0.41 0.03 -0.93 1.25 4.81 -1.77 -1.46 114.58 116.92 1fws h GLU 2244Ca 0.12 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1fws h GLU 2244Cb 0.04 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 1fws h GLU 2244CO -0.02 0.02 0.60 0.78 -0.73 0.00 0.00 179.01 179.66 1fws h GLY 2245N 0.03 1.35 1.31 1.92 0.00 -1.82 -0.93 103.07 104.94 1fws h GLY 2245Ca 0.07 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 1fws h GLY 2245CO -0.14 0.40 -0.42 -2.22 0.00 0.00 0.00 176.54 174.16 1fws h ILE 2246N 1.18 1.29 -0.18 2.60 2.04 -1.26 -1.44 117.51 121.74 1fws h ILE 2246Ca 0.37 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1fws h ILE 2246Cb -0.01 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1fws h ILE 2246CO -0.12 0.52 0.04 0.40 0.00 0.00 0.00 178.15 178.99 1fws h ILE 2247N 0.61 1.21 -0.73 -0.67 2.04 -0.85 -0.64 117.51 118.47 1fws h ILE 2247Ca 0.04 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1fws h ILE 2247Cb 0.97 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1fws h ILE 2247CO 0.09 0.20 0.45 -0.08 0.00 0.00 0.00 178.15 178.81 1fws h GLU 2248N 0.09 0.84 -0.09 2.37 4.57 -1.14 -1.37 114.58 119.85 1fws h GLU 2248Ca 0.06 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1fws h GLU 2248Cb 0.27 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1fws h GLU 2248CO 0.00 0.55 0.03 0.00 -1.18 0.00 0.00 179.01 178.41 1fws h ALA 2249N 1.33 0.09 0.00 2.92 0.00 -0.93 -1.80 119.26 120.86 1fws h ALA 2249Ca 0.30 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1fws h ALA 2249Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1fws h ALA 2249CO -0.13 -0.43 -0.33 -0.84 0.00 0.00 0.00 179.25 177.51 1fws h ILE 2250N 0.07 0.99 -0.43 0.00 3.07 -0.77 -1.65 117.51 118.78 1fws h ILE 2250Ca 0.04 -1.25 -0.15 0.00 1.55 0.00 0.00 64.86 65.05 1fws h ILE 2250Cb 0.02 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.29 1fws h ILE 2250CO -0.04 0.33 -0.30 -0.07 -1.05 0.00 0.00 178.15 177.01 1fws h LEU 2251N 0.00 1.01 -0.34 0.16 3.38 -0.91 0.65 115.31 119.25 1fws h LEU 2251Ca -0.00 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1fws h LEU 2251Cb 0.70 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1fws h LEU 2251CO 0.04 1.23 0.00 -0.33 0.09 0.00 0.00 178.44 179.47 1fws h GLU 2252N 0.81 0.60 -0.55 1.13 5.08 -1.04 -0.23 114.58 120.38 1fws h GLU 2252Ca 0.09 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1fws h GLU 2252Cb 0.89 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1fws h GLU 2252CO 0.08 0.72 0.04 0.82 -1.00 0.00 0.00 179.01 179.67 1fws h ILE 2253N 0.41 1.26 -0.50 3.13 2.04 -1.22 -2.80 117.51 119.85 1fws h ILE 2253Ca 0.10 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1fws h ILE 2253Cb 0.45 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1fws h ILE 2253CO 0.02 0.38 0.28 -0.09 0.00 0.00 0.00 178.15 178.74 1fws h ARG 2254N 0.83 0.68 -0.60 2.37 2.43 -0.75 0.64 114.38 119.99 1fws h ARG 2254Ca 0.16 -0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1fws h ARG 2254Cb 0.49 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 1fws h ARG 2254CO 0.02 0.52 0.20 1.49 -1.51 0.00 0.00 179.97 180.69 1fws h GLU 2255N 0.66 0.35 0.00 0.20 4.22 -0.81 0.21 114.58 119.41 1fws h GLU 2255Ca 0.18 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.55 1fws h GLU 2255Cb 0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1fws h GLU 2255CO -0.03 0.23 -0.16 0.28 -2.18 0.00 0.00 179.01 177.15 1fws h VAL 2256N 0.36 1.58 -0.13 0.32 2.07 -1.27 -3.36 116.25 115.83 1fws h VAL 2256Ca 0.31 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 1fws h VAL 2256Cb 0.40 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1fws h VAL 2256CO -0.33 0.52 -0.29 0.00 0.02 0.00 0.00 177.57 177.49 1fws h ALA 2257N 0.23 1.28 -0.75 1.67 0.00 -0.68 -3.19 119.26 117.83 1fws h ALA 2257Ca -0.02 -0.33 0.22 0.00 0.00 0.00 0.00 54.91 54.78 1fws h ALA 2257Cb 0.94 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1fws h ALA 2257CO 0.03 0.49 0.58 0.66 0.00 0.00 0.00 179.25 181.02 1fws h SER 2258N 0.21 0.00 -0.22 0.00 4.64 -0.72 0.16 113.55 117.61 1fws h SER 2258Ca 0.03 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1fws h SER 2258Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1fws h SER 2258CO 0.05 0.00 0.18 0.50 -0.87 0.00 0.00 176.83 176.69 1fws h LYS 2259N 0.00 0.00 -0.29 4.77 3.64 -1.76 -2.33 116.57 120.59 1fws h LYS 2259Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1fws h LYS 2259Cb 1.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1fws h LYS 2259CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1fws n TYR 2260N -4.18 0.37 -1.84 1.91 4.02 0.55 -4.98 117.16 113.01 1fws n TYR 2260Ca 0.02 -0.24 -0.42 0.00 -0.01 0.00 0.00 57.90 57.26 1fws n TYR 2260Cb 0.33 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.61 1fws n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1fws s TYR 2261N -1.30 2.97 0.53 -0.72 2.02 -0.88 -4.95 117.35 115.02 1fws s TYR 2261Ca 0.30 0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 57.29 1fws s TYR 2261Cb 0.18 -4.02 -0.06 0.00 -0.40 0.00 0.00 41.96 37.66 1fws s TYR 2261CO 0.25 -3.83 1.15 -1.21 -1.57 0.00 0.00 175.55 170.34 1fws s GLU 2262N 1.21 3.41 -0.03 -0.62 8.01 -1.26 -4.97 118.70 124.44 1fws s GLU 2262Ca 0.72 1.68 -0.30 0.00 0.01 0.00 0.00 54.97 57.09 1fws s GLU 2262Cb -0.46 -2.10 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1fws s GLU 2262CO 0.32 -0.82 1.21 0.99 0.01 0.00 0.00 175.26 176.97 1fws s THR 2263N -1.69 4.18 0.00 3.63 2.01 -1.26 -5.16 115.64 117.35 1fws s THR 2263Ca 0.71 1.53 0.00 0.00 0.31 0.00 0.00 61.69 64.24 1fws s THR 2263Cb -0.26 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1fws s THR 2263CO 0.30 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.25