#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nws n PHE 2004N 0.00 2.47 -3.45 5.58 -0.00 -1.25 -4.66 117.46 116.16 2nws n PHE 2004Ca 0.00 0.16 -0.38 0.00 -0.00 0.00 0.00 57.45 57.23 2nws n PHE 2004Cb 0.00 -2.60 -0.06 0.00 -0.00 0.00 0.00 39.48 36.81 2nws n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2nws s LEU 2005N 1.15 4.38 -0.26 -2.13 2.96 -0.80 -0.57 118.68 123.41 2nws s LEU 2005Ca 0.78 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.54 2nws s LEU 2005Cb -0.60 -2.59 0.08 0.00 0.50 0.00 0.00 46.19 43.57 2nws s LEU 2005CO 0.36 0.19 0.04 -0.69 -1.32 0.00 0.00 176.35 174.93 2nws s VAL 2006N -0.34 1.06 -0.25 1.68 1.01 -0.23 -0.93 120.40 122.40 2nws s VAL 2006Ca 0.23 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 2nws s VAL 2006Cb -0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2nws s VAL 2006CO 0.11 -0.40 0.32 -0.63 0.00 0.00 0.00 175.10 174.50 2nws s ILE 2007N 1.57 5.23 0.07 2.22 1.01 0.25 -1.40 121.20 130.15 2nws s ILE 2007Ca 0.03 0.49 -0.13 0.00 0.00 0.00 0.00 60.65 61.04 2nws s ILE 2007Cb -0.18 -3.65 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2nws s ILE 2007CO -0.14 0.22 0.29 0.00 0.00 0.00 0.00 174.94 175.30 2nws s ALA 2008N 1.73 -0.61 0.00 9.38 0.00 -0.54 -0.13 121.76 131.59 2nws s ALA 2008Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2nws s ALA 2008Cb -0.15 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2nws s ALA 2008CO 0.09 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2nws n GLY 2009N 0.27 -0.27 3.76 0.00 0.00 -1.19 -0.93 105.19 106.83 2nws n GLY 2009Ca -0.17 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 2nws n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nws s PRO 2010N -1.78 4.50 0.14 1.61 0.04 -1.14 -0.80 135.00 137.57 2nws s PRO 2010Ca 0.00 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 2nws s PRO 2010Cb 0.00 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2nws s PRO 2010CO 0.00 0.10 1.58 -0.97 0.04 0.00 0.00 177.00 177.75 2nws h ASN 2011N 3.48 -1.32 -3.07 6.66 -1.24 -1.84 -3.36 115.58 114.88 2nws h ASN 2011Ca -0.47 0.18 -0.63 0.00 0.71 0.00 0.00 56.30 56.09 2nws h ASN 2011Cb 1.21 0.55 -0.15 0.00 0.73 0.00 0.00 38.32 40.67 2nws h ASN 2011CO 0.66 -0.41 -0.74 0.00 -1.29 0.00 0.00 177.43 175.65 2nws s ALA 2012N -5.88 2.87 -1.25 1.57 0.00 -1.26 -1.06 121.76 116.74 2nws s ALA 2012Ca -0.15 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 2nws s ALA 2012Cb 0.10 -0.67 0.10 0.00 0.00 0.00 0.00 23.12 22.65 2nws s ALA 2012CO 0.65 0.47 1.63 0.42 0.00 0.00 0.00 175.76 178.92 2nws s ILE 2013N -1.67 4.37 0.32 0.00 1.01 -0.17 -4.73 121.20 120.32 2nws s ILE 2013Ca 0.24 -2.03 0.31 0.00 0.00 0.00 0.00 60.65 59.16 2nws s ILE 2013Cb -0.09 -5.10 0.33 0.00 0.01 0.00 0.00 42.46 37.61 2nws s ILE 2013CO 0.14 -1.90 2.04 -0.33 0.00 0.00 0.00 174.94 174.89 2nws h GLU 2014N 7.63 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 124.71 2nws h GLU 2014Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 2nws h GLU 2014Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2nws h GLU 2014CO 1.39 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 178.37 2nws n SER 2015N -3.37 0.00 0.06 1.42 3.41 -1.26 -4.99 113.62 108.88 2nws n SER 2015Ca -0.01 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.68 2nws n SER 2015Cb 0.27 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.57 2nws n SER 2015CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2nws n GLU 2016N -0.15 0.08 -0.01 4.33 0.28 -1.26 -1.90 120.64 122.00 2nws n GLU 2016Ca 0.00 0.38 -0.13 0.00 -0.16 0.00 0.00 57.16 57.25 2nws n GLU 2016Cb 0.00 -1.66 -0.10 0.00 1.43 0.00 0.00 31.44 31.11 2nws n GLU 2016CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2nws h GLU 2017N 0.00 -0.02 -0.91 3.44 4.81 -1.99 -2.54 114.58 117.37 2nws h GLU 2017Ca 0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2nws h GLU 2017Cb 0.23 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2nws h GLU 2017CO 0.00 0.49 0.58 1.25 -0.73 0.00 0.00 179.01 180.60 2nws h LEU 2018N -0.54 0.95 -1.36 1.64 5.85 -1.77 -2.07 115.31 118.02 2nws h LEU 2018Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2nws h LEU 2018Cb 0.52 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2nws h LEU 2018CO 0.00 0.63 0.26 -0.07 -0.34 0.00 0.00 178.44 178.92 2nws h LEU 2019N 1.10 0.62 -0.65 2.25 3.38 -1.43 -2.17 115.31 118.40 2nws h LEU 2019Ca 0.38 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 2nws h LEU 2019Cb 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2nws h LEU 2019CO -0.14 0.52 -0.67 -0.07 0.09 0.00 0.00 178.44 178.17 2nws h LEU 2020N 0.70 0.00 0.16 1.67 3.38 -0.94 0.82 115.31 121.09 2nws h LEU 2020Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2nws h LEU 2020Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2nws h LEU 2020CO -0.03 0.67 -0.07 0.50 0.09 0.00 0.00 178.44 179.60 2nws h LYS 2021N 0.00 -0.20 -0.84 1.13 3.64 -1.07 -1.49 116.57 117.73 2nws h LYS 2021Ca -0.01 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2nws h LYS 2021Cb 1.19 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 2nws h LYS 2021CO 0.09 0.22 0.41 0.28 -2.27 0.00 0.00 179.45 178.18 2nws h VAL 2022N -0.72 1.26 -0.33 2.00 2.07 -1.44 -2.13 116.25 116.96 2nws h VAL 2022Ca -0.02 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2nws h VAL 2022Cb 0.51 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2nws h VAL 2022CO 0.04 0.31 0.18 1.23 0.02 0.00 0.00 177.57 179.35 2nws h GLY 2023N 1.20 0.47 0.86 2.17 0.00 -0.81 -1.20 103.07 105.76 2nws h GLY 2023Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2nws h GLY 2023CO -0.04 0.18 0.02 -2.09 0.00 0.00 0.00 176.54 174.61 2nws h GLU 2024N 0.45 0.45 -0.56 4.80 4.81 -0.59 -0.52 114.58 123.42 2nws h GLU 2024Ca 0.12 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 2nws h GLU 2024Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2nws h GLU 2024CO -0.02 0.60 -0.00 1.49 -0.73 0.00 0.00 179.01 180.35 2nws h GLU 2025N 0.25 0.97 -0.12 1.92 4.57 -1.21 -2.10 114.58 118.87 2nws h GLU 2025Ca 0.08 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 57.85 2nws h GLU 2025Cb 0.38 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2nws h GLU 2025CO 0.01 0.96 -0.41 0.82 -1.18 0.00 0.00 179.01 179.21 2nws h ILE 2026N 0.90 1.31 -0.52 2.32 2.04 -1.11 -1.69 117.51 120.75 2nws h ILE 2026Ca 0.16 -1.52 -0.09 0.00 1.00 0.00 0.00 64.86 64.42 2nws h ILE 2026Cb 0.53 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2nws h ILE 2026CO 0.03 0.46 -0.02 0.50 0.00 0.00 0.00 178.15 179.11 2nws h LYS 2027N 0.22 0.93 -0.43 2.37 1.63 -0.79 -0.51 116.57 119.98 2nws h LYS 2027Ca 0.02 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 2nws h LYS 2027Cb 0.82 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 2nws h LYS 2027CO 0.06 0.96 0.24 -0.09 -3.45 0.00 0.00 179.45 177.18 2nws h ARG 2028N 0.80 0.60 -0.33 1.90 2.43 -1.03 -1.10 114.38 117.65 2nws h ARG 2028Ca 0.14 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2nws h ARG 2028Cb 0.56 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2nws h ARG 2028CO 0.03 0.48 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.82 2nws h LEU 2029N 0.57 0.53 -1.03 3.80 -0.00 -1.17 -1.73 115.31 116.28 2nws h LEU 2029Ca 0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2nws h LEU 2029Cb 0.05 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.52 2nws h LEU 2029CO -0.03 0.65 0.61 -1.28 -0.00 0.00 0.00 178.44 178.40 2nws h SER 2030N 0.52 1.11 0.91 -0.43 0.87 -0.37 0.29 113.55 116.44 2nws h SER 2030Ca 0.10 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.49 2nws h SER 2030Cb 0.45 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2nws h SER 2030CO 0.02 0.82 -0.60 -0.33 -0.53 0.00 0.00 176.83 176.22 2nws h GLU 2031N 1.30 0.00 0.04 2.24 4.39 -0.67 -3.27 114.58 118.60 2nws h GLU 2031Ca 0.35 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.79 2nws h GLU 2031Cb -0.12 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2nws h GLU 2031CO -0.07 0.60 -1.28 -0.22 -1.16 0.00 0.00 179.01 176.87 2nws h LYS 2032N 0.00 0.08 -2.75 2.33 3.64 -0.49 -3.40 116.57 115.98 2nws h LYS 2032Ca -0.01 -0.14 -0.63 0.00 -1.27 0.00 0.00 60.65 58.60 2nws h LYS 2032Cb 1.21 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.68 2nws h LYS 2032CO 0.08 0.94 -0.44 1.19 -2.27 0.00 0.00 179.45 178.95 2nws n PHE 2033N -3.33 3.51 0.27 1.91 3.01 0.93 -4.91 117.46 118.85 2nws n PHE 2033Ca -0.08 -4.14 0.14 0.00 1.01 0.00 0.00 57.45 54.39 2nws n PHE 2033Cb 0.99 -0.70 0.69 0.00 -0.01 0.00 0.00 39.48 40.45 2nws n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2nws h LYS 2034N 4.97 0.00 0.00 -1.08 1.79 -1.78 -1.27 116.57 119.20 2nws h LYS 2034Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2nws h LYS 2034Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2nws h LYS 2034CO 0.82 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 177.28 2nws n GLU 2035N -2.51 0.25 -4.80 3.15 4.07 -1.26 -4.79 120.64 114.75 2nws n GLU 2035Ca -0.01 0.03 -0.31 0.00 -0.06 0.00 0.00 57.16 56.81 2nws n GLU 2035Cb 0.13 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 29.87 2nws n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2nws s VAL 2036N -2.73 2.76 -0.39 6.31 1.01 -0.48 -3.74 120.40 123.13 2nws s VAL 2036Ca 0.21 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 2nws s VAL 2036Cb 0.18 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2nws s VAL 2036CO 0.45 0.43 0.24 -0.70 0.00 0.00 0.00 175.10 175.53 2nws s GLU 2037N -1.16 2.87 0.15 2.72 2.12 0.26 -4.97 118.70 120.69 2nws s GLU 2037Ca 0.13 -1.08 -0.19 0.00 0.36 0.00 0.00 54.97 54.20 2nws s GLU 2037Cb -0.10 -3.83 -0.07 0.00 0.26 0.00 0.00 34.13 30.38 2nws s GLU 2037CO 0.03 -0.73 0.64 -0.06 -0.54 0.00 0.00 175.26 174.60 2nws s PHE 2038N 1.60 3.72 -0.07 5.30 0.40 -1.26 -1.06 117.98 126.61 2nws s PHE 2038Ca 0.03 1.30 -0.01 0.00 -0.60 0.00 0.00 56.93 57.65 2nws s PHE 2038Cb -0.19 -2.54 0.03 0.00 0.51 0.00 0.00 43.02 40.83 2nws s PHE 2038CO 0.08 0.46 -0.01 0.08 0.70 0.00 0.00 175.22 176.54 2nws s VAL 2039N -1.33 0.41 -0.02 -0.44 1.01 -0.49 -4.26 120.40 115.28 2nws s VAL 2039Ca 0.36 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 2nws s VAL 2039Cb -0.18 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2nws s VAL 2039CO 0.21 0.26 1.10 0.12 0.00 0.00 0.00 175.10 176.79 2nws s PHE 2040N 1.86 3.44 -0.00 5.22 5.36 -0.43 -1.46 117.98 131.95 2nws s PHE 2040Ca 0.03 1.44 0.07 0.00 -0.96 0.00 0.00 56.93 57.51 2nws s PHE 2040Cb -0.12 -3.30 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 2nws s PHE 2040CO -0.05 -0.75 -0.23 0.21 -1.46 0.00 0.00 175.22 172.95 2nws s LYS 2041N 1.60 1.77 -0.27 10.12 2.36 -0.11 -1.56 119.74 133.64 2nws s LYS 2041Ca 0.54 -0.85 -0.26 0.00 -2.55 0.00 0.00 55.97 52.85 2nws s LYS 2041Cb -0.24 -1.75 0.13 0.00 -1.05 0.00 0.00 37.83 34.93 2nws s LYS 2041CO 0.24 0.47 1.09 0.45 1.55 0.00 0.00 175.35 179.16 2nws s SER 2042N -0.68 -0.38 -0.15 1.43 0.15 -1.16 -3.22 113.70 109.69 2nws s SER 2042Ca 0.09 0.71 -0.18 0.00 0.70 0.00 0.00 55.95 57.26 2nws s SER 2042Cb -0.09 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2nws s SER 2042CO -0.00 -0.15 0.50 -0.44 1.20 0.00 0.00 173.24 174.35 2nws s SER 2043N 0.06 6.65 0.04 5.45 0.01 -0.22 -4.50 113.70 121.18 2nws s SER 2043Ca 0.03 0.77 0.26 0.00 1.31 0.00 0.00 55.95 58.33 2nws s SER 2043Cb -0.05 -2.29 1.07 0.00 0.21 0.00 0.00 66.02 64.96 2nws s SER 2043CO -0.07 -0.07 1.83 2.22 0.41 0.00 0.00 173.24 177.56 2nws n PHE 2044N 4.09 0.18 -3.64 2.43 1.16 -1.26 -1.00 117.46 119.42 2nws n PHE 2044Ca -0.06 0.05 -0.07 0.00 -1.87 0.00 0.00 57.45 55.50 2nws n PHE 2044Cb 0.51 -0.59 -0.07 0.00 -1.61 0.00 0.00 39.48 37.72 2nws n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nws s ASP 2045N -3.29 -0.80 -0.72 5.98 2.15 -1.26 -3.72 116.67 115.02 2nws s ASP 2045Ca 0.12 1.32 -0.17 0.00 0.43 0.00 0.00 52.55 54.25 2nws s ASP 2045Cb 0.16 1.33 0.15 0.00 -0.30 0.00 0.00 42.92 44.26 2nws s ASP 2045CO 0.50 -0.21 0.76 -0.54 -0.17 0.00 0.00 175.17 175.51 2nws s LYS 2046N 1.33 3.31 0.00 4.34 -0.14 0.70 -4.88 119.74 124.39 2nws s LYS 2046Ca -0.08 -1.84 0.29 0.00 -1.36 0.00 0.00 55.97 52.99 2nws s LYS 2046Cb -0.05 -4.44 1.26 0.00 -1.68 0.00 0.00 37.83 32.93 2nws s LYS 2046CO -0.15 -1.46 1.91 0.00 -0.76 0.00 0.00 175.35 174.89 2nws n ALA 2047N 5.41 2.55 -1.93 5.17 0.00 -1.26 -4.11 120.51 126.34 2nws n ALA 2047Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 2nws n ALA 2047Cb 0.45 -1.43 0.13 0.00 0.00 0.00 0.00 19.45 18.59 2nws n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nws n ASN 2048N -1.36 2.28 -4.73 0.00 2.04 -1.26 -5.08 115.26 107.15 2nws n ASN 2048Ca 0.10 -3.42 -0.36 0.00 -0.44 0.00 0.00 54.58 50.46 2nws n ASN 2048Cb 0.30 -0.45 0.07 0.00 -2.53 0.00 0.00 39.78 37.18 2nws n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2nws s ARG 2049N -2.80 2.45 0.13 -3.83 1.81 -1.26 -4.91 118.95 110.53 2nws s ARG 2049Ca 0.39 1.95 -0.14 0.00 -1.72 0.00 0.00 55.73 56.21 2nws s ARG 2049Cb 0.38 -1.85 -0.03 0.00 -0.45 0.00 0.00 34.95 33.00 2nws s ARG 2049CO -0.06 -1.65 1.53 0.77 -0.68 0.00 0.00 175.30 175.21 2nws h SER 2050N 0.30 0.79 -3.02 0.23 0.02 -1.96 -3.44 113.55 106.46 2nws h SER 2050Ca -0.50 -0.37 -0.67 0.00 -0.84 0.00 0.00 61.79 59.41 2nws h SER 2050Cb 1.32 -0.22 -0.11 0.00 0.14 0.00 0.00 62.40 63.54 2nws h SER 2050CO 0.52 0.98 -0.56 -0.55 -1.14 0.00 0.00 176.83 176.08 2nws s SER 2051N -6.41 5.77 0.54 3.07 0.15 -1.25 -4.98 113.70 110.58 2nws s SER 2051Ca -0.12 0.26 0.32 0.00 0.70 0.00 0.00 55.95 57.11 2nws s SER 2051Cb 0.10 -1.73 1.48 0.00 -1.71 0.00 0.00 66.02 64.16 2nws s SER 2051CO 0.82 0.36 2.04 -0.29 1.20 0.00 0.00 173.24 177.38 2nws h ILE 2052N 3.85 0.26 -0.19 6.45 6.09 -1.95 -2.69 117.51 129.33 2nws h ILE 2052Ca -0.52 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.42 2nws h ILE 2052Cb 1.20 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.92 2nws h ILE 2052CO 0.58 0.07 0.00 1.41 -3.07 0.00 0.00 178.15 177.14 2nws n HIS 2053N -3.30 0.24 -2.60 2.19 8.25 -1.26 -4.94 115.22 113.81 2nws n HIS 2053Ca -0.01 -0.12 -0.24 0.00 -0.26 0.00 0.00 57.72 57.09 2nws n HIS 2053Cb 0.27 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.41 2nws n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nws s SER 2054N -1.55 5.49 0.18 0.41 0.01 -1.02 -5.04 113.70 112.18 2nws s SER 2054Ca 0.33 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.68 2nws s SER 2054Cb 0.18 -1.39 -0.09 0.00 0.21 0.00 0.00 66.02 64.93 2nws s SER 2054CO 0.26 -1.05 1.35 0.12 0.41 0.00 0.00 173.24 174.34 2nws s PHE 2055N -2.85 3.22 -0.11 2.43 5.36 -1.26 -4.94 117.98 119.83 2nws s PHE 2055Ca 0.54 1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 57.58 2nws s PHE 2055Cb -0.10 -3.66 -0.05 0.00 -0.34 0.00 0.00 43.02 38.87 2nws s PHE 2055CO 0.41 -2.13 -0.14 0.54 -1.46 0.00 0.00 175.22 172.45 2nws n ARG 2056N 2.93 0.23 -2.23 10.12 1.74 -1.26 -4.71 116.66 123.48 2nws n ARG 2056Ca 0.08 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2nws n ARG 2056Cb 0.42 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 2nws n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nws n GLY 2057N 2.36 -0.40 0.95 -0.13 0.00 -1.26 -0.22 105.19 106.50 2nws n GLY 2057Ca -0.21 -1.54 0.08 0.00 0.00 0.00 0.00 46.02 44.35 2nws n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nws n HIS 2058N 8.16 0.74 0.00 1.61 8.25 -1.25 -5.04 115.22 127.69 2nws n HIS 2058Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 2nws n HIS 2058Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2nws n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nws n GLY 2059N 0.83 2.05 0.22 -1.41 0.00 -1.24 -4.41 105.19 101.23 2nws n GLY 2059Ca 0.17 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.20 2nws n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nws h LEU 2060N 0.00 0.51 0.32 0.99 5.85 -1.99 -2.07 115.31 118.92 2nws h LEU 2060Ca 0.00 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2nws h LEU 2060Cb 0.00 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2nws h LEU 2060CO 0.00 0.85 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.47 2nws h GLU 2061N 0.41 -0.41 -0.41 1.25 5.08 -1.97 -1.21 114.58 117.32 2nws h GLU 2061Ca 0.04 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2nws h GLU 2061Cb 0.86 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2nws h GLU 2061CO 0.07 -0.09 0.20 -0.92 -1.00 0.00 0.00 179.01 177.27 2nws h TYR 2062N -0.75 0.56 -0.12 4.33 3.20 -1.77 -1.96 116.97 120.45 2nws h TYR 2062Ca -0.04 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.71 2nws h TYR 2062Cb 0.50 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.60 2nws h TYR 2062CO 0.02 0.41 -0.35 0.78 -1.64 0.00 0.00 178.16 177.38 2nws h GLY 2063N 0.68 0.49 1.73 1.82 0.00 -1.32 -1.88 103.07 104.59 2nws h GLY 2063Ca 0.15 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2nws h GLY 2063CO -0.02 0.56 -0.17 -2.08 0.00 0.00 0.00 176.54 174.83 2nws h VAL 2064N 0.03 1.22 -0.02 4.60 2.07 -1.09 -0.98 116.25 122.08 2nws h VAL 2064Ca -0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2nws h VAL 2064Cb 0.97 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2nws h VAL 2064CO 0.07 0.31 -0.00 0.50 0.02 0.00 0.00 177.57 178.47 2nws h LYS 2065N 0.31 0.03 -0.88 1.57 3.64 -1.33 -2.13 116.57 117.77 2nws h LYS 2065Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2nws h LYS 2065Cb 0.49 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2nws h LYS 2065CO 0.03 0.34 0.47 0.00 -2.27 0.00 0.00 179.45 178.02 2nws h ALA 2066N 0.69 1.13 -0.54 5.00 0.00 -1.07 -2.09 119.26 122.39 2nws h ALA 2066Ca 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2nws h ALA 2066Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2nws h ALA 2066CO 0.00 0.65 0.20 -0.07 0.00 0.00 0.00 179.25 180.03 2nws h LEU 2067N 1.24 0.77 -1.30 0.00 3.38 -1.14 -2.36 115.31 115.91 2nws h LEU 2067Ca 0.31 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2nws h LEU 2067Cb 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2nws h LEU 2067CO -0.05 0.74 0.48 -0.09 0.09 0.00 0.00 178.44 179.61 2nws h ARG 2068N 0.74 0.94 -0.73 1.13 2.43 -1.09 0.20 114.38 118.01 2nws h ARG 2068Ca 0.18 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2nws h ARG 2068Cb 0.23 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2nws h ARG 2068CO -0.01 0.62 0.45 -0.22 -1.51 0.00 0.00 179.97 179.30 2nws h LYS 2069N 0.97 0.98 -0.48 0.20 1.63 -0.89 0.94 116.57 119.92 2nws h LYS 2069Ca 0.26 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 2nws h LYS 2069Cb -0.10 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.30 2nws h LYS 2069CO -0.06 0.68 0.05 0.28 -3.45 0.00 0.00 179.45 176.96 2nws h VAL 2070N 0.99 1.25 -0.40 2.00 2.07 -0.74 0.12 116.25 121.55 2nws h VAL 2070Ca 0.26 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2nws h VAL 2070Cb -0.06 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2nws h VAL 2070CO -0.05 0.34 -0.02 0.50 0.02 0.00 0.00 177.57 178.36 2nws h LYS 2071N 0.68 0.65 0.14 1.57 3.64 -0.44 -0.42 116.57 122.40 2nws h LYS 2071Ca 0.14 -0.16 -0.27 0.00 -1.27 0.00 0.00 60.65 59.09 2nws h LYS 2071Cb 0.43 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2nws h LYS 2071CO 0.01 0.68 -1.31 0.93 -2.27 0.00 0.00 179.45 177.50 2nws h GLU 2072N 0.61 0.31 -0.17 1.90 5.08 -0.71 -0.05 114.58 121.54 2nws h GLU 2072Ca 0.12 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.84 2nws h GLU 2072Cb 0.42 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2nws h GLU 2072CO 0.02 1.25 -0.42 1.49 -1.00 0.00 0.00 179.01 180.35 2nws h GLU 2073N -0.23 0.40 -0.00 2.33 4.81 -0.76 -3.33 114.58 117.81 2nws h GLU 2073Ca -0.26 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2nws h GLU 2073Cb 1.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.19 2nws h GLU 2073CO 0.12 0.75 -0.07 1.19 -0.73 0.00 0.00 179.01 180.27 2nws n PHE 2074N -4.02 0.00 -3.18 0.92 3.72 -0.17 -5.01 117.46 109.72 2nws n PHE 2074Ca -0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.16 2nws n PHE 2074Cb 0.51 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.09 2nws n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nws n GLY 2075N 0.72 -0.52 3.85 1.37 0.00 -0.03 -4.99 105.19 105.60 2nws n GLY 2075Ca 0.01 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2nws n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nws s LEU 2076N -6.81 4.29 0.81 0.99 1.43 -1.24 -5.04 118.68 113.10 2nws s LEU 2076Ca 0.38 0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 2nws s LEU 2076Cb -0.17 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.09 2nws s LEU 2076CO 0.47 0.40 1.15 -0.54 0.23 0.00 0.00 176.35 178.06 2nws s LYS 2077N -0.95 1.77 0.18 1.70 1.02 -1.26 -4.39 119.74 117.81 2nws s LYS 2077Ca 0.14 1.53 0.10 0.00 0.02 0.00 0.00 55.97 57.77 2nws s LYS 2077Cb -0.12 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 2nws s LYS 2077CO 0.04 -2.07 -0.21 0.42 -0.92 0.00 0.00 175.35 172.61 2nws s ILE 2078N -2.45 2.04 -0.21 2.17 -1.09 -1.26 -1.32 121.20 119.08 2nws s ILE 2078Ca 0.68 -1.96 -0.12 0.00 -2.23 0.00 0.00 60.65 57.03 2nws s ILE 2078Cb -0.24 -1.95 0.07 0.00 -1.58 0.00 0.00 42.46 38.76 2nws s ILE 2078CO 0.52 -0.23 0.51 0.28 -1.23 0.00 0.00 174.94 174.79 2nws s THR 2079N -1.87 -0.02 0.11 2.92 -1.32 -0.60 0.10 115.64 114.96 2nws s THR 2079Ca 0.18 0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 60.65 2nws s THR 2079Cb -0.07 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 2nws s THR 2079CO 0.08 0.02 0.17 0.28 -2.21 0.00 0.00 174.62 172.97 2nws s THR 2080N 1.46 0.12 -0.01 5.08 -1.32 -1.21 -2.99 115.64 116.77 2nws s THR 2080Ca -0.10 -1.42 -0.03 0.00 -1.21 0.00 0.00 61.69 58.93 2nws s THR 2080Cb -0.07 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 2nws s THR 2080CO -0.15 -0.56 0.20 1.51 -2.21 0.00 0.00 174.62 173.41 2nws s ASP 2081N -2.93 6.39 0.27 8.08 -4.77 -1.26 -1.43 116.67 121.02 2nws s ASP 2081Ca 0.12 0.38 0.07 0.00 -3.30 0.00 0.00 52.55 49.82 2nws s ASP 2081Cb 0.05 -2.02 -0.03 0.00 -1.09 0.00 0.00 42.92 39.83 2nws s ASP 2081CO -0.06 0.26 0.21 0.27 0.70 0.00 0.00 175.17 176.56 2nws s ILE 2082N -1.32 4.27 0.00 2.11 -4.36 -0.74 -4.78 121.20 116.37 2nws s ILE 2082Ca 0.27 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 2nws s ILE 2082Cb -0.13 -3.36 0.00 0.00 1.25 0.00 0.00 42.46 40.23 2nws s ILE 2082CO 0.18 -0.32 0.00 1.41 0.24 0.00 0.00 174.94 176.45 2nws n HIS 2083N -1.21 0.00 -3.93 1.37 8.25 -1.26 -4.42 115.22 114.02 2nws n HIS 2083Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.30 2nws n HIS 2083Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 2nws n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nws s GLU 2084N -1.23 0.53 0.34 -0.41 2.02 -1.26 -5.07 118.70 113.63 2nws s GLU 2084Ca 0.00 -0.67 0.13 0.00 0.02 0.00 0.00 54.97 54.44 2nws s GLU 2084Cb 0.00 0.21 0.97 0.00 0.10 0.00 0.00 34.13 35.41 2nws s GLU 2084CO 0.00 -0.13 1.73 0.77 0.02 0.00 0.00 175.26 177.66 2nws h SER 2085N 3.91 0.59 0.30 -0.19 0.02 -1.91 -2.23 113.55 114.04 2nws h SER 2085Ca -0.32 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 2nws h SER 2085Cb 1.19 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2nws h SER 2085CO 0.48 0.07 -0.17 4.11 -1.14 0.00 0.00 176.83 180.18 2nws h TRP 2086N 0.50 0.00 0.00 3.45 5.08 -1.97 -3.04 115.95 119.97 2nws h TRP 2086Ca 0.65 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.62 2nws h TRP 2086Cb 1.37 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.53 2nws h TRP 2086CO -0.01 0.17 0.00 1.96 -1.28 0.00 0.00 178.44 179.28 2nws h GLN 2087N 0.00 0.00 0.01 0.12 4.20 -1.83 -3.34 115.11 114.27 2nws h GLN 2087Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2nws h GLN 2087Cb 0.36 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 2nws h GLN 2087CO 0.02 0.00 -0.30 0.00 -0.67 0.00 0.00 178.83 177.88 2nws h ALA 2088N 2.02 -0.44 0.29 3.87 0.00 -1.69 -2.17 119.26 121.14 2nws h ALA 2088Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nws h ALA 2088Cb 0.61 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2nws h ALA 2088CO 0.00 -0.81 -0.33 1.49 0.00 0.00 0.00 179.25 179.59 2nws h GLU 2089N -0.46 -0.64 -0.99 0.00 4.81 -1.81 -0.80 114.58 114.70 2nws h GLU 2089Ca 0.06 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2nws h GLU 2089Cb 0.54 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 2nws h GLU 2089CO -0.25 -0.43 0.65 -1.00 -0.73 0.00 0.00 179.01 177.25 2nws h PRO 2090N -0.67 1.31 -0.23 0.92 0.13 -1.76 -2.50 132.00 129.20 2nws h PRO 2090Ca -0.01 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 2nws h PRO 2090Cb 0.62 -0.29 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2nws h PRO 2090CO -0.09 0.87 -0.13 0.28 -0.23 0.00 0.00 178.00 178.71 2nws h VAL 2091N 1.34 1.21 0.00 1.56 2.07 -1.21 -2.47 116.25 118.76 2nws h VAL 2091Ca 0.36 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2nws h VAL 2091Cb -0.14 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2nws h VAL 2091CO -0.08 0.30 -0.06 0.00 0.02 0.00 0.00 177.57 177.75 2nws h ALA 2092N 1.52 1.35 -0.87 1.67 0.00 -0.67 0.22 119.26 122.47 2nws h ALA 2092Ca 0.07 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2nws h ALA 2092Cb 0.44 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2nws h ALA 2092CO 0.03 0.07 0.56 0.93 0.00 0.00 0.00 179.25 180.84 2nws h GLU 2093N 0.00 0.69 0.00 0.00 4.39 -1.41 -3.30 114.58 114.95 2nws h GLU 2093Ca -0.00 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 2nws h GLU 2093Cb 0.18 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2nws h GLU 2093CO 0.01 0.46 -1.63 0.28 -1.16 0.00 0.00 179.01 176.97 2nws n VAL 2094N -4.55 0.63 -2.18 3.13 0.31 -0.83 -5.02 118.33 109.83 2nws n VAL 2094Ca 0.16 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 2nws n VAL 2094Cb 0.42 -0.97 -0.03 0.00 -0.91 0.00 0.00 33.84 32.35 2nws n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nws s ALA 2095N -2.22 3.60 0.09 3.52 0.00 0.72 -4.51 121.76 122.95 2nws s ALA 2095Ca -0.15 0.93 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 2nws s ALA 2095Cb 0.04 -3.61 -0.26 0.00 0.00 0.00 0.00 23.12 19.29 2nws s ALA 2095CO 0.25 -0.94 1.17 -0.44 0.00 0.00 0.00 175.76 175.80 2nws h ASP 2096N 7.89 0.27 -3.34 0.00 3.32 -0.65 -3.43 116.42 120.49 2nws h ASP 2096Ca -0.38 -0.30 -0.53 0.00 0.02 0.00 0.00 57.03 55.83 2nws h ASP 2096Cb 1.18 -0.09 -0.34 0.00 0.22 0.00 0.00 39.33 40.30 2nws h ASP 2096CO 0.91 1.23 -0.82 -0.63 -1.72 0.00 0.00 179.24 178.21 2nws s ILE 2097N -2.67 1.20 -0.19 0.35 1.01 -0.67 -2.49 121.20 117.74 2nws s ILE 2097Ca -0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.01 2nws s ILE 2097Cb 0.08 -1.12 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 2nws s ILE 2097CO 0.86 0.38 0.27 -0.63 0.00 0.00 0.00 174.94 175.82 2nws s ILE 2098N 0.94 5.31 -0.18 2.92 1.01 0.31 -3.35 121.20 128.15 2nws s ILE 2098Ca -0.09 0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 2nws s ILE 2098Cb -0.15 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2nws s ILE 2098CO 0.00 0.36 0.15 -1.58 0.00 0.00 0.00 174.94 173.88 2nws s GLN 2099N 0.71 4.05 -0.29 2.79 0.74 -0.51 -0.94 119.66 126.21 2nws s GLN 2099Ca 0.14 -0.16 -0.09 0.00 0.05 0.00 0.00 55.36 55.29 2nws s GLN 2099Cb -0.13 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 2nws s GLN 2099CO 0.04 0.39 0.14 0.42 -0.55 0.00 0.00 175.29 175.72 2nws s ILE 2100N 0.09 4.66 0.55 -2.34 -1.09 -0.31 -1.79 121.20 120.97 2nws s ILE 2100Ca 0.10 -0.22 -0.21 0.00 -2.23 0.00 0.00 60.65 58.09 2nws s ILE 2100Cb -0.11 -3.28 -0.06 0.00 -1.58 0.00 0.00 42.46 37.42 2nws s ILE 2100CO -0.00 0.19 1.15 -2.65 -1.23 0.00 0.00 174.94 172.39 2nws n PRO 2101N 4.98 1.32 -0.06 2.79 -0.02 -1.26 -1.39 135.00 141.35 2nws n PRO 2101Ca -0.15 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.75 2nws n PRO 2101Cb 0.50 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 2nws n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nws h ALA 2102N 1.07 0.10 0.00 3.55 0.00 -1.89 -0.76 119.26 121.33 2nws h ALA 2102Ca -0.49 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2nws h ALA 2102Cb 1.33 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2nws h ALA 2102CO 0.55 -0.52 -0.01 0.74 0.00 0.00 0.00 179.25 180.00 2nws h PHE 2103N -0.08 0.00 -0.55 0.00 0.04 -1.92 -2.34 116.94 112.10 2nws h PHE 2103Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2nws h PHE 2103Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2nws h PHE 2103CO -0.30 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.70 2nws n LEU 2104N -3.44 3.64 0.18 1.54 4.77 -0.35 -4.64 117.00 118.70 2nws n LEU 2104Ca -0.03 -1.78 0.11 0.00 -0.03 0.00 0.00 56.01 54.29 2nws n LEU 2104Cb 0.11 -0.36 0.60 0.00 -2.33 0.00 0.00 43.42 41.43 2nws n LEU 2104CO 0.24 0.86 0.85 0.00 -1.33 0.00 0.00 177.39 178.01 2nws n ARG 2106N -2.29 1.75 -2.55 0.00 1.74 -1.26 -4.88 116.66 109.17 2nws n ARG 2106Ca -0.01 -1.71 -0.41 0.00 -0.77 0.00 0.00 57.85 54.95 2nws n ARG 2106Cb 0.08 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2nws n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nws s GLN 2107N -1.13 3.46 0.22 5.56 -1.52 -0.50 -4.89 119.66 120.86 2nws s GLN 2107Ca 0.22 -0.85 -0.19 0.00 -1.95 0.00 0.00 55.36 52.59 2nws s GLN 2107Cb 0.14 -5.02 0.21 0.00 -0.22 0.00 0.00 33.01 28.11 2nws s GLN 2107CO 0.19 -2.22 1.55 1.15 -0.25 0.00 0.00 175.29 175.72 2nws h THR 2108N 6.59 0.00 -0.93 -0.19 2.02 -1.89 -1.64 112.91 116.86 2nws h THR 2108Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 2nws h THR 2108Cb 1.02 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 2nws h THR 2108CO 1.38 0.00 0.61 0.44 0.37 0.00 0.00 175.52 178.32 2nws h ASP 2109N -0.00 0.96 -0.30 4.18 3.32 -1.99 0.10 116.42 122.70 2nws h ASP 2109Ca 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 2nws h ASP 2109Cb 0.58 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2nws h ASP 2109CO -0.99 0.62 0.11 0.25 -1.72 0.00 0.00 179.24 177.52 2nws h LEU 2110N 1.09 0.42 -0.15 1.55 5.85 -1.69 0.19 115.31 122.58 2nws h LEU 2110Ca 0.40 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2nws h LEU 2110Cb 0.15 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2nws h LEU 2110CO -0.15 0.50 0.10 -0.07 -0.34 0.00 0.00 178.44 178.48 2nws h LEU 2111N 0.33 0.18 -0.74 2.25 3.38 -0.97 -1.69 115.31 118.05 2nws h LEU 2111Ca 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2nws h LEU 2111Cb 0.21 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2nws h LEU 2111CO -0.01 0.13 0.26 -0.07 0.09 0.00 0.00 178.44 178.85 2nws h LEU 2112N 0.20 1.05 -0.23 1.67 3.38 -0.65 -0.42 115.31 120.31 2nws h LEU 2112Ca 0.06 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2nws h LEU 2112Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2nws h LEU 2112CO -0.01 0.96 0.05 0.00 0.09 0.00 0.00 178.44 179.53 2nws h ALA 2113N 1.13 0.24 -0.09 1.53 0.00 -0.38 -0.14 119.26 121.55 2nws h ALA 2113Ca 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2nws h ALA 2113Cb 0.26 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2nws h ALA 2113CO -0.01 -0.37 0.06 0.00 0.00 0.00 0.00 179.25 178.92 2nws h ALA 2114N 1.16 0.11 -0.83 0.00 0.00 -1.03 -2.80 119.26 115.87 2nws h ALA 2114Ca 0.10 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2nws h ALA 2114Cb 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2nws h ALA 2114CO -0.13 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 179.23 2nws h ALA 2115N 1.00 1.19 -0.68 0.00 0.00 -0.74 -2.35 119.26 117.67 2nws h ALA 2115Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nws h ALA 2115Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2nws h ALA 2115CO -0.01 0.12 0.45 -0.22 0.00 0.00 0.00 179.25 179.59 2nws h LYS 2116N 0.81 0.82 0.00 0.00 3.64 -0.76 -2.39 116.57 118.69 2nws h LYS 2116Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2nws h LYS 2116Cb 0.35 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2nws h LYS 2116CO -0.24 0.54 0.11 0.25 -2.27 0.00 0.00 179.45 177.84 2nws n THR 2117N -4.45 0.87 -0.21 1.00 -2.24 -0.88 -4.79 114.28 103.57 2nws n THR 2117Ca 0.08 0.75 0.00 0.00 -2.27 0.00 0.00 64.05 62.61 2nws n THR 2117Cb 0.10 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 2nws n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nws n GLY 2118N -1.29 2.14 3.85 3.38 0.00 -0.90 -5.02 105.19 107.35 2nws n GLY 2118Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2nws n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nws s ARG 2119N -0.15 1.10 0.42 1.61 1.81 -1.26 -4.92 118.95 117.55 2nws s ARG 2119Ca 0.00 0.03 -0.20 0.00 -1.72 0.00 0.00 55.73 53.84 2nws s ARG 2119Cb 0.00 -1.86 -0.11 0.00 -0.45 0.00 0.00 34.95 32.54 2nws s ARG 2119CO 0.00 -2.17 0.93 0.00 -0.68 0.00 0.00 175.30 173.37 2nws s ALA 2120N -3.51 3.07 -0.06 2.13 0.00 -1.04 -4.74 121.76 117.62 2nws s ALA 2120Ca 0.66 0.34 0.04 0.00 0.00 0.00 0.00 51.96 53.01 2nws s ALA 2120Cb -0.10 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 2nws s ALA 2120CO 0.52 0.12 -0.19 0.08 0.00 0.00 0.00 175.76 176.30 2nws s VAL 2121N -2.19 1.57 -0.19 0.00 1.01 -0.44 -0.53 120.40 119.62 2nws s VAL 2121Ca 0.61 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2nws s VAL 2121Cb -0.09 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.96 2nws s VAL 2121CO 0.15 0.45 -0.18 0.21 0.00 0.00 0.00 175.10 175.73 2nws s ASN 2122N 0.17 3.37 -0.21 3.32 3.04 -0.12 -0.54 114.94 123.98 2nws s ASN 2122Ca -0.08 -0.79 -0.08 0.00 0.04 0.00 0.00 52.86 51.95 2nws s ASN 2122Cb -0.14 -1.49 -0.04 0.00 -1.54 0.00 0.00 41.25 38.05 2nws s ASN 2122CO 0.04 -0.04 0.07 -0.69 -3.04 0.00 0.00 177.10 173.44 2nws s VAL 2123N 1.26 4.70 -0.11 -5.21 1.01 -0.05 -1.16 120.40 120.85 2nws s VAL 2123Ca 0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2nws s VAL 2123Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2nws s VAL 2123CO -0.11 0.41 1.16 -0.54 0.00 0.00 0.00 175.10 176.02 2nws s LYS 2124N 0.79 4.33 -0.01 2.72 -0.14 -0.49 -0.63 119.74 126.31 2nws s LYS 2124Ca 0.04 1.58 -0.30 0.00 -1.36 0.00 0.00 55.97 55.93 2nws s LYS 2124Cb -0.13 -3.61 -0.06 0.00 -1.68 0.00 0.00 37.83 32.35 2nws s LYS 2124CO 0.02 -0.50 1.55 0.21 -0.76 0.00 0.00 175.35 175.87 2nws s LYS 2125N 2.58 4.22 0.45 1.68 2.20 -0.45 -3.96 119.74 126.46 2nws s LYS 2125Ca 0.53 2.13 -0.23 0.00 -0.36 0.00 0.00 55.97 58.03 2nws s LYS 2125Cb -0.22 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.26 2nws s LYS 2125CO 0.18 -0.73 1.00 0.41 -0.36 0.00 0.00 175.35 175.85 2nws n GLY 2126N 3.92 -0.24 0.12 5.54 0.00 -1.25 -4.63 105.19 108.65 2nws n GLY 2126Ca 0.15 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.38 2nws n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nws n GLN 2127N -0.01 0.16 0.00 1.61 3.00 -1.26 -1.55 117.38 119.32 2nws n GLN 2127Ca 0.10 0.46 0.12 0.00 -0.01 0.00 0.00 57.00 57.67 2nws n GLN 2127Cb 0.40 -1.84 0.10 0.00 0.00 0.00 0.00 30.24 28.91 2nws n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nws n PHE 2128N -2.14 0.00 -3.51 1.08 1.16 -1.26 -1.78 117.46 111.01 2nws n PHE 2128Ca 0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.25 2nws n PHE 2128Cb 0.17 -0.01 -0.05 0.00 -1.61 0.00 0.00 39.48 37.97 2nws n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nws s LEU 2129N -2.31 4.32 0.17 5.98 2.96 -0.60 -5.07 118.68 124.12 2nws s LEU 2129Ca 0.23 0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 54.92 2nws s LEU 2129Cb 0.19 -3.16 -0.06 0.00 0.50 0.00 0.00 46.19 43.65 2nws s LEU 2129CO 0.47 0.12 0.46 0.00 -1.32 0.00 0.00 176.35 176.08 2nws s ALA 2130N -1.49 3.67 0.22 5.97 0.00 -1.26 -4.91 121.76 123.96 2nws s ALA 2130Ca 0.37 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.82 2nws s ALA 2130Cb -0.14 -2.31 0.26 0.00 0.00 0.00 0.00 23.12 20.94 2nws s ALA 2130CO 0.19 0.57 1.62 -1.35 0.00 0.00 0.00 175.76 176.79 2nws h PRO 2131N 2.92 -0.00 0.00 0.00 0.11 -1.97 0.17 132.00 133.22 2nws h PRO 2131Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2nws h PRO 2131Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2nws h PRO 2131CO 0.70 -0.00 -0.09 0.11 -0.21 0.00 0.00 178.00 178.50 2nws h TRP 2132N -0.00 0.00 0.00 0.65 0.09 -1.94 -2.17 115.95 112.58 2nws h TRP 2132Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.30 2nws h TRP 2132Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.74 2nws h TRP 2132CO -0.55 0.09 0.00 -0.25 0.09 0.00 0.00 178.44 177.82 2nws n ASP 2133N -3.55 0.53 0.12 0.11 8.00 0.58 -2.50 116.55 119.84 2nws n ASP 2133Ca -0.02 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.25 2nws n ASP 2133Cb 0.22 -0.75 0.46 0.00 -0.02 0.00 0.00 41.12 41.03 2nws n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2nws n THR 2134N -2.10 0.74 -0.31 -3.53 -2.24 -0.82 -3.14 114.28 102.88 2nws n THR 2134Ca 0.02 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2nws n THR 2134Cb 0.20 -0.96 0.13 0.00 -2.10 0.00 0.00 70.33 67.61 2nws n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nws h LYS 2135N 0.00 0.98 -0.24 -0.78 3.64 -1.69 -1.65 116.57 116.83 2nws h LYS 2135Ca 0.00 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 2nws h LYS 2135Cb 0.50 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2nws h LYS 2135CO 0.00 0.65 -0.19 -0.91 -2.27 0.00 0.00 179.45 176.73 2nws h ASN 2136N 1.01 0.42 0.05 4.20 -0.26 -1.79 -2.23 115.58 116.99 2nws h ASN 2136Ca 0.37 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 2nws h ASN 2136Cb 0.12 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2nws h ASN 2136CO -0.16 0.63 -0.03 0.58 -1.06 0.00 0.00 177.43 177.40 2nws h VAL 2137N 0.39 1.03 -0.69 2.81 2.07 -1.45 -2.16 116.25 118.25 2nws h VAL 2137Ca 0.07 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2nws h VAL 2137Cb 0.56 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2nws h VAL 2137CO 0.04 0.07 0.40 0.58 0.02 0.00 0.00 177.57 178.68 2nws h VAL 2138N -0.20 1.01 -0.89 2.57 2.07 -1.26 -2.20 116.25 117.36 2nws h VAL 2138Ca -0.01 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2nws h VAL 2138Cb 0.17 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2nws h VAL 2138CO 0.01 0.14 0.58 -0.08 0.02 0.00 0.00 177.57 178.24 2nws h GLU 2139N 0.75 1.12 -0.40 1.57 4.81 -1.21 -0.82 114.58 120.40 2nws h GLU 2139Ca 0.30 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2nws h GLU 2139Cb 0.14 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2nws h GLU 2139CO -0.16 0.74 0.24 0.87 -0.73 0.00 0.00 179.01 179.97 2nws h LYS 2140N 1.15 0.55 -0.22 1.92 1.57 -0.76 -0.56 116.57 120.22 2nws h LYS 2140Ca 0.34 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2nws h LYS 2140Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2nws h LYS 2140CO -0.09 0.42 0.09 -0.07 -0.57 0.00 0.00 179.45 179.23 2nws h LEU 2141N 0.53 0.30 -0.51 2.94 3.38 -1.18 -0.87 115.31 119.91 2nws h LEU 2141Ca 0.14 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2nws h LEU 2141Cb 0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2nws h LEU 2141CO -0.03 0.37 0.25 0.11 0.09 0.00 0.00 178.44 179.24 2nws h LYS 2142N 0.21 0.48 -0.88 1.13 1.57 -1.02 -0.12 116.57 117.93 2nws h LYS 2142Ca 0.07 -0.03 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 2nws h LYS 2142Cb 0.16 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 2nws h LYS 2142CO -0.01 0.32 0.49 0.35 -0.57 0.00 0.00 179.45 180.03 2nws h PHE 2143N 0.49 0.87 0.00 -1.35 3.57 -0.70 0.62 116.94 120.45 2nws h PHE 2143Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2nws h PHE 2143Cb 0.14 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2nws h PHE 2143CO -0.11 0.26 0.00 0.41 -2.23 0.00 0.00 178.31 176.65 2nws n GLY 2144N -1.33 -0.99 0.68 2.40 0.00 -0.18 -4.89 105.19 100.88 2nws n GLY 2144Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2nws n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nws n GLY 2145N 0.81 0.83 3.76 -0.02 0.00 0.21 -3.76 105.19 107.03 2nws n GLY 2145Ca 0.16 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2nws n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nws s ALA 2146N -2.00 3.31 0.00 4.61 0.00 -0.47 -4.90 121.76 122.32 2nws s ALA 2146Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2nws s ALA 2146Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2nws s ALA 2146CO 0.00 -0.04 0.00 1.63 0.00 0.00 0.00 175.76 177.35 2nws n LYS 2147N 0.99 1.68 -3.80 0.00 5.02 -1.26 -4.34 118.16 116.45 2nws n LYS 2147Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 2nws n LYS 2147Cb 0.47 -0.98 -0.12 0.00 -0.02 0.00 0.00 35.03 34.38 2nws n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nws s GLU 2148N -1.93 2.01 -0.10 1.97 2.12 -1.26 -5.08 118.70 116.43 2nws s GLU 2148Ca 0.00 -1.92 0.02 0.00 0.36 0.00 0.00 54.97 53.43 2nws s GLU 2148Cb 0.00 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 2nws s GLU 2148CO 0.00 -1.07 -0.16 0.42 -0.54 0.00 0.00 175.26 173.91 2nws s ILE 2149N 0.96 2.87 0.11 -3.70 1.01 -1.26 -1.33 121.20 119.86 2nws s ILE 2149Ca 0.10 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.08 2nws s ILE 2149Cb -0.22 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2nws s ILE 2149CO -0.04 0.55 -0.23 -0.31 0.00 0.00 0.00 174.94 174.91 2nws s TYR 2150N 0.01 1.93 -0.11 3.97 1.51 0.30 -2.93 117.35 122.03 2nws s TYR 2150Ca -0.05 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2nws s TYR 2150Cb -0.14 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 2nws s TYR 2150CO 0.04 0.24 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.05 2nws s LEU 2151N -1.91 1.78 -0.19 -1.29 1.43 -0.35 -0.87 118.68 117.29 2nws s LEU 2151Ca 0.08 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2nws s LEU 2151Cb -0.10 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 2nws s LEU 2151CO 0.05 0.03 0.00 -0.89 0.23 0.00 0.00 176.35 175.77 2nws s THR 2152N 0.92 4.09 -0.12 5.49 2.01 0.20 -1.16 115.64 127.07 2nws s THR 2152Ca -0.08 -0.28 -0.28 0.00 0.31 0.00 0.00 61.69 61.37 2nws s THR 2152Cb -0.15 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 2nws s THR 2152CO -0.01 0.45 0.95 -0.70 -0.69 0.00 0.00 174.62 174.62 2nws s GLU 2153N 0.72 4.39 -0.00 4.92 2.56 0.40 -1.34 118.70 130.35 2nws s GLU 2153Ca 0.00 1.27 0.06 0.00 0.00 0.00 0.00 54.97 56.30 2nws s GLU 2153Cb -0.14 -3.54 0.10 0.00 2.00 0.00 0.00 34.13 32.55 2nws s GLU 2153CO 0.02 -0.29 1.04 2.89 -0.56 0.00 0.00 175.26 178.36 2nws n ARG 2154N 4.98 0.03 0.00 4.30 -4.01 -1.26 -0.53 116.66 120.17 2nws n ARG 2154Ca 0.07 -1.26 0.00 0.00 -1.04 0.00 0.00 57.85 55.62 2nws n ARG 2154Cb 0.49 -0.41 0.00 0.00 -3.04 0.00 0.00 32.46 29.50 2nws n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2nws n GLY 2155N 0.08 2.42 3.11 2.89 0.00 -1.26 -3.66 105.19 108.77 2nws n GLY 2155Ca 0.02 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 2nws n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nws s THR 2156N -2.74 1.04 -0.11 2.61 2.01 0.03 -4.36 115.64 114.12 2nws s THR 2156Ca 0.00 -0.72 -0.36 0.00 0.31 0.00 0.00 61.69 60.92 2nws s THR 2156Cb 0.00 -0.90 -0.13 0.00 0.01 0.00 0.00 72.50 71.48 2nws s THR 2156CO 0.00 0.17 1.77 0.41 -0.69 0.00 0.00 174.62 176.28 2nws n THR 2157N 2.43 0.39 -3.59 -0.82 -1.04 -0.73 -1.59 114.28 109.33 2nws n THR 2157Ca -0.16 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 2nws n THR 2157Cb 0.55 -1.57 -0.12 0.00 -1.82 0.00 0.00 70.33 67.37 2nws n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nws s PHE 2158N 3.31 1.62 0.00 -1.42 5.36 -0.70 -4.86 117.98 121.29 2nws s PHE 2158Ca 0.92 -2.30 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 2nws s PHE 2158Cb -0.82 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 2nws s PHE 2158CO 0.54 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 2nws n GLY 2159N 3.33 -0.43 3.87 13.12 0.00 -1.26 -4.30 105.19 119.52 2nws n GLY 2159Ca 0.16 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 2nws n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nws s TYR 2160N 0.00 3.62 -1.18 1.61 2.02 -1.26 -4.41 117.35 117.75 2nws s TYR 2160Ca 0.00 0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 57.33 2nws s TYR 2160Cb 0.00 -2.06 0.03 0.00 -0.40 0.00 0.00 41.96 39.53 2nws s TYR 2160CO 0.00 0.65 0.26 0.09 -1.57 0.00 0.00 175.55 174.98 2nws n ASN 2161N 1.51 -4.00 -3.79 2.29 3.02 -1.26 -4.94 115.26 108.10 2nws n ASN 2161Ca -0.14 -0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.20 2nws n ASN 2161Cb 0.53 -3.34 -0.09 0.00 -0.61 0.00 0.00 39.78 36.27 2nws n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nws s ASN 2162N -2.38 -0.16 0.08 6.41 3.04 -1.26 -4.10 114.94 116.57 2nws s ASN 2162Ca 0.19 0.12 0.07 0.00 0.04 0.00 0.00 52.86 53.28 2nws s ASN 2162Cb -0.10 0.34 -0.03 0.00 -1.54 0.00 0.00 41.25 39.93 2nws s ASN 2162CO 0.24 -0.36 -0.18 -0.76 -3.04 0.00 0.00 177.10 173.00 2nws s LEU 2163N -1.03 2.26 0.07 3.21 1.43 -1.26 -1.72 118.68 121.63 2nws s LEU 2163Ca -0.11 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2nws s LEU 2163Cb -0.05 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 2nws s LEU 2163CO 0.03 0.04 -0.17 0.54 0.23 0.00 0.00 176.35 177.01 2nws s VAL 2164N -1.09 1.36 -0.36 -1.59 0.11 -0.62 -4.85 120.40 113.36 2nws s VAL 2164Ca 0.04 -1.28 -0.10 0.00 -2.93 0.00 0.00 61.98 57.71 2nws s VAL 2164Cb -0.10 -1.25 0.03 0.00 -1.53 0.00 0.00 36.38 33.53 2nws s VAL 2164CO 0.03 -0.05 0.18 -0.69 -3.33 0.00 0.00 175.10 171.24 2nws s VAL 2165N -1.06 4.44 -0.63 2.04 1.01 -1.26 -0.79 120.40 124.15 2nws s VAL 2165Ca 0.03 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2nws s VAL 2165Cb -0.09 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.90 2nws s VAL 2165CO 0.02 -0.19 0.92 -0.62 0.00 0.00 0.00 175.10 175.24 2nws s ASP 2166N 1.54 6.20 0.00 3.32 -1.08 -1.26 -4.88 116.67 120.50 2nws s ASP 2166Ca 0.02 -0.96 0.10 0.00 -0.52 0.00 0.00 52.55 51.19 2nws s ASP 2166Cb -0.19 -2.40 0.42 0.00 -1.46 0.00 0.00 42.92 39.29 2nws s ASP 2166CO 0.06 -1.35 1.30 0.49 0.52 0.00 0.00 175.17 176.18 2nws n PHE 2167N 7.46 0.00 0.28 -5.34 3.01 -1.26 -1.76 117.46 119.84 2nws n PHE 2167Ca -0.04 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.55 2nws n PHE 2167Cb 0.45 -0.48 0.79 0.00 -0.01 0.00 0.00 39.48 40.23 2nws n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nws h ARG 2168N 0.00 0.00 -0.33 -1.08 3.08 -2.03 -2.64 114.38 111.37 2nws h ARG 2168Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2nws h ARG 2168Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2nws h ARG 2168CO 0.00 0.05 0.05 0.66 -1.07 0.00 0.00 179.97 179.67 2nws h SER 2169N 0.00 0.45 0.12 7.04 4.64 -1.77 -2.94 113.55 121.10 2nws h SER 2169Ca -0.00 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2nws h SER 2169Cb 0.12 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 2nws h SER 2169CO 0.01 0.48 -0.31 -0.07 -0.87 0.00 0.00 176.83 176.06 2nws h LEU 2170N 0.48 -0.90 -0.97 5.97 4.07 -1.69 0.17 115.31 122.44 2nws h LEU 2170Ca 0.11 0.10 -0.10 0.00 0.08 0.00 0.00 57.88 58.07 2nws h LEU 2170Cb 0.23 0.34 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2nws h LEU 2170CO 0.00 -0.40 -0.40 1.55 -1.08 0.00 0.00 178.44 178.10 2nws h PRO 2171N -0.54 0.22 -0.11 1.13 0.13 -1.73 -2.46 132.00 128.63 2nws h PRO 2171Ca 0.03 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2nws h PRO 2171Cb 0.57 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 2nws h PRO 2171CO -0.18 0.59 0.03 0.82 -0.23 0.00 0.00 178.00 179.03 2nws h ILE 2172N 0.18 1.18 0.00 -3.56 2.04 -1.25 -3.04 117.51 113.06 2nws h ILE 2172Ca 0.02 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 2nws h ILE 2172Cb 0.80 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2nws h ILE 2172CO 0.06 0.16 -0.42 0.24 0.00 0.00 0.00 178.15 178.19 2nws h MET 2173N -0.01 0.00 0.00 2.37 2.86 -0.67 -2.87 114.93 116.61 2nws h MET 2173Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2nws h MET 2173Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2nws h MET 2173CO -0.00 0.42 0.06 -0.22 1.06 0.00 0.00 176.91 178.23 2nws h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.32 -1.57 116.57 117.04 2nws h LYS 2174Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2nws h LYS 2174Cb 0.77 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 2nws h LYS 2174CO 0.05 0.00 -0.12 1.96 -3.45 0.00 0.00 179.45 177.90 2nws h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.57 -3.32 115.11 116.32 2nws h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nws h GLN 2175Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2nws h GLN 2175CO 0.00 0.12 0.00 -2.67 -0.67 0.00 0.00 178.83 175.61 2nws n TRP 2176N -3.49 0.00 -3.61 2.96 2.14 -0.62 -5.11 117.44 109.69 2nws n TRP 2176Ca -0.01 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.49 2nws n TRP 2176Cb 0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.75 2nws n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nws s ALA 2177N -0.02 -1.68 0.34 -1.67 0.00 -0.99 -4.99 121.76 112.74 2nws s ALA 2177Ca 0.00 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 2nws s ALA 2177Cb 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 23.12 23.63 2nws s ALA 2177CO 0.00 -0.86 1.10 0.15 0.00 0.00 0.00 175.76 176.15 2nws s LYS 2178N -3.33 4.40 -0.12 0.00 1.02 -1.15 -4.03 119.74 116.52 2nws s LYS 2178Ca 0.08 1.73 -0.01 0.00 0.02 0.00 0.00 55.97 57.79 2nws s LYS 2178Cb -0.02 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2nws s LYS 2178CO -0.04 0.01 -0.09 0.08 -0.92 0.00 0.00 175.35 174.39 2nws s VAL 2179N -1.35 3.41 -0.03 3.17 1.01 -1.26 -1.21 120.40 124.14 2nws s VAL 2179Ca 0.51 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.00 2nws s VAL 2179Cb -0.29 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2nws s VAL 2179CO 0.37 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 175.17 2nws s ILE 2180N 0.11 2.60 -0.22 2.22 -1.09 -0.31 0.02 121.20 124.53 2nws s ILE 2180Ca -0.04 -0.93 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 2nws s ILE 2180Cb -0.14 -1.98 -0.03 0.00 -1.58 0.00 0.00 42.46 38.73 2nws s ILE 2180CO 0.04 0.57 0.05 -0.47 -1.23 0.00 0.00 174.94 173.90 2nws s TYR 2181N -0.69 3.10 -0.62 3.97 5.04 -0.20 -0.45 117.35 127.50 2nws s TYR 2181Ca 0.11 -0.33 -0.22 0.00 -2.44 0.00 0.00 57.07 54.19 2nws s TYR 2181Cb -0.10 -2.16 0.07 0.00 0.35 0.00 0.00 41.96 40.11 2nws s TYR 2181CO 0.00 -0.23 0.90 0.34 -1.34 0.00 0.00 175.55 175.23 2nws s ASP 2182N 1.20 6.21 0.21 4.32 -1.08 0.31 -0.07 116.67 127.78 2nws s ASP 2182Ca 0.04 -0.91 0.25 0.00 -0.52 0.00 0.00 52.55 51.41 2nws s ASP 2182Cb -0.14 -2.40 0.89 0.00 -1.46 0.00 0.00 42.92 39.81 2nws s ASP 2182CO 0.03 -1.32 1.75 0.00 0.52 0.00 0.00 175.17 176.15 2nws n ALA 2183N 7.39 2.05 -0.10 3.66 0.00 -0.23 -3.24 120.51 130.05 2nws n ALA 2183Ca -0.04 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2nws n ALA 2183Cb 0.45 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 2nws n ALA 2183CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2nws n THR 2184N -2.19 1.51 0.25 0.00 -1.04 -1.26 -4.41 114.28 107.14 2nws n THR 2184Ca 0.04 0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.20 2nws n THR 2184Cb 0.35 -2.11 0.33 0.00 -1.82 0.00 0.00 70.33 67.09 2nws n THR 2184CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 2nws h HIS 2185N -1.00 0.00 0.00 -1.42 3.86 -1.89 -3.24 115.15 111.46 2nws h HIS 2185Ca -0.30 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 2nws h HIS 2185Cb 1.16 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 2nws h HIS 2185CO 0.02 0.00 -0.05 0.77 0.86 0.00 0.00 177.93 179.53 2nws h SER 2186N 0.00 0.00 -0.07 2.45 0.02 -1.62 -2.70 113.55 111.63 2nws h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nws h SER 2186Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2nws h SER 2186CO 0.00 0.05 0.00 1.33 -1.14 0.00 0.00 176.83 177.07 2nws n VAL 2187N -3.32 0.11 -2.00 2.27 0.24 -1.22 -4.71 118.33 109.70 2nws n VAL 2187Ca -0.02 -0.55 -0.32 0.00 -2.04 0.00 0.00 64.34 61.41 2nws n VAL 2187Cb 0.20 1.23 0.01 0.00 -1.47 0.00 0.00 33.84 33.81 2nws n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nws s GLN 2188N -1.24 3.38 -0.52 7.34 -2.07 -1.02 -2.45 119.66 123.09 2nws s GLN 2188Ca 0.19 1.06 -0.06 0.00 -1.82 0.00 0.00 55.36 54.74 2nws s GLN 2188Cb 0.13 -2.05 0.13 0.00 -1.09 0.00 0.00 33.01 30.14 2nws s GLN 2188CO 0.19 -0.75 0.35 -0.51 -1.32 0.00 0.00 175.29 173.26 2nws s LEU 2189N -4.70 5.50 -0.41 2.60 1.43 -1.06 -4.37 118.68 117.68 2nws s LEU 2189Ca 0.61 -2.26 -0.46 0.00 -1.03 0.00 0.00 54.13 50.99 2nws s LEU 2189Cb -0.14 -1.92 -0.20 0.00 0.03 0.00 0.00 46.19 43.96 2nws s LEU 2189CO 0.41 -0.55 1.52 -2.65 0.23 0.00 0.00 176.35 175.31 2nws n PRO 2190N 4.36 0.05 -1.76 1.29 -0.02 -1.26 -0.09 135.00 137.57 2nws n PRO 2190Ca -0.00 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.39 2nws n PRO 2190Cb 0.41 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 2nws n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nws n GLY 2191N 3.60 0.43 0.34 -1.23 0.00 -1.26 -4.42 105.19 102.66 2nws n GLY 2191Ca 0.29 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.36 2nws n GLY 2191CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nws h GLY 2192N 0.00 0.86 -2.63 -0.02 0.00 -0.20 -2.54 103.07 98.54 2nws h GLY 2192Ca -0.24 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2nws h GLY 2192CO 0.32 0.25 0.00 1.04 0.00 0.00 0.00 176.54 178.15 2nws n LEU 2193N -4.47 4.02 0.00 3.11 7.99 0.11 -4.82 117.00 122.95 2nws n LEU 2193Ca 0.08 -2.04 0.00 0.00 -0.01 0.00 0.00 56.01 54.04 2nws n LEU 2193Cb 0.16 -0.62 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 2nws n LEU 2193CO 0.35 0.49 0.00 0.61 -1.51 0.00 0.00 177.39 177.33 2nws n GLY 2194N 0.42 2.36 0.36 -0.72 0.00 -0.96 -3.91 105.19 102.74 2nws n GLY 2194Ca 0.18 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2nws n GLY 2194CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nws n ASP 2195N 4.72 1.15 -3.95 1.61 5.75 -1.26 -4.92 116.55 119.66 2nws n ASP 2195Ca 0.00 -1.34 -0.09 0.00 -0.01 0.00 0.00 54.79 53.36 2nws n ASP 2195Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 2nws n ASP 2195CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2nws s LYS 2196N -2.05 1.62 0.27 0.11 1.02 -1.25 -3.91 119.74 115.55 2nws s LYS 2196Ca 0.39 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 55.12 2nws s LYS 2196Cb 0.21 0.50 -0.06 0.00 -0.52 0.00 0.00 37.83 37.97 2nws s LYS 2196CO 0.36 -0.69 0.55 -1.12 -0.92 0.00 0.00 175.35 173.53 2nws s SER 2197N -3.00 6.49 0.00 2.83 0.01 -1.26 0.05 113.70 118.82 2nws s SER 2197Ca 0.20 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2nws s SER 2197Cb -0.02 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2nws s SER 2197CO 0.09 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2nws n GLY 2198N -0.70 1.94 0.00 3.44 0.00 0.83 -4.55 105.19 106.14 2nws n GLY 2198Ca -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2nws n GLY 2198CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nws n GLY 2199N 5.00 4.06 2.85 -0.02 0.00 -1.26 -2.55 105.19 113.27 2nws n GLY 2199Ca 0.00 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.26 2nws n GLY 2199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nws s MET 2200N -2.73 1.08 0.49 1.61 -1.94 -1.03 -4.84 119.30 111.93 2nws s MET 2200Ca 0.00 -1.27 0.20 0.00 -1.71 0.00 0.00 55.69 52.90 2nws s MET 2200Cb 0.00 -2.45 1.22 0.00 2.01 0.00 0.00 34.83 35.62 2nws s MET 2200CO 0.00 -0.90 2.00 -0.09 -0.01 0.00 0.00 175.02 176.02 2nws h ARG 2201N 7.93 0.18 0.00 2.03 2.43 -1.90 -2.38 114.38 122.66 2nws h ARG 2201Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2nws h ARG 2201Cb 1.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2nws h ARG 2201CO 0.47 0.12 0.07 1.05 -1.51 0.00 0.00 179.97 180.17 2nws h GLU 2202N 0.18 0.00 -0.01 0.20 4.11 -1.94 -1.95 114.58 115.18 2nws h GLU 2202Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2nws h GLU 2202Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2nws h GLU 2202CO -0.04 0.00 -0.67 1.19 0.07 0.00 0.00 179.01 179.56 2nws n PHE 2203N -2.27 0.00 0.18 2.06 3.72 -0.90 -4.62 117.46 115.64 2nws n PHE 2203Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 2nws n PHE 2203Cb 0.11 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 2nws n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nws h ILE 2204N 0.88 0.28 -0.20 4.37 2.04 -1.49 -2.15 117.51 121.24 2nws h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2nws h ILE 2204Cb 0.52 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2nws h ILE 2204CO 0.00 0.00 0.10 0.15 0.00 0.00 0.00 178.15 178.40 2nws h PHE 2205N -0.67 0.29 -0.54 1.37 -0.00 -1.82 -1.40 116.94 114.18 2nws h PHE 2205Ca -0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.01 2nws h PHE 2205Cb 0.63 -0.09 -0.05 0.00 -0.00 0.00 0.00 35.95 36.44 2nws h PHE 2205CO -0.24 0.30 0.24 -1.35 -0.00 0.00 0.00 178.31 177.26 2nws h PRO 2206N 0.20 0.45 0.00 6.41 0.11 -1.80 -0.75 132.00 136.62 2nws h PRO 2206Ca 0.07 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 2nws h PRO 2206Cb 0.11 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2nws h PRO 2206CO -0.01 0.29 -0.50 -0.07 -0.21 0.00 0.00 178.00 177.51 2nws h LEU 2207N 0.46 0.00 -0.47 2.35 3.38 -1.31 -2.30 115.31 117.42 2nws h LEU 2207Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 2nws h LEU 2207Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2nws h LEU 2207CO -0.21 0.50 -0.45 -0.29 0.09 0.00 0.00 178.44 178.08 2nws h ILE 2208N 0.00 1.29 -0.75 1.22 2.10 -0.62 -1.27 117.51 119.48 2nws h ILE 2208Ca -0.00 -1.64 -0.04 0.00 1.08 0.00 0.00 64.86 64.26 2nws h ILE 2208Cb 1.00 1.54 -0.03 0.00 -1.09 0.00 0.00 36.82 38.23 2nws h ILE 2208CO 0.06 0.53 0.30 0.03 -1.08 0.00 0.00 178.15 178.00 2nws h ARG 2209N 0.62 1.11 -0.79 2.19 3.08 -0.92 -2.15 114.38 117.52 2nws h ARG 2209Ca 0.04 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2nws h ARG 2209Cb 1.02 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 2nws h ARG 2209CO 0.10 0.89 0.30 0.00 -1.07 0.00 0.00 179.97 180.19 2nws h ALA 2210N 1.25 1.02 -0.60 0.04 0.00 -1.08 -1.76 119.26 118.13 2nws h ALA 2210Ca 0.25 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2nws h ALA 2210Cb 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2nws h ALA 2210CO -0.02 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.27 2nws h ALA 2211N 1.16 0.77 0.00 0.00 0.00 -0.59 -0.46 119.26 120.14 2nws h ALA 2211Ca 0.26 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2nws h ALA 2211Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2nws h ALA 2211CO -0.02 0.14 -0.64 -0.39 0.00 0.00 0.00 179.25 178.34 2nws h VAL 2212N 0.76 1.24 -0.24 0.00 -1.51 -1.37 -0.14 116.25 115.00 2nws h VAL 2212Ca 0.23 -2.36 -0.12 0.00 -1.23 0.00 0.00 66.70 63.23 2nws h VAL 2212Cb -0.02 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2nws h VAL 2212CO -0.08 0.62 -0.36 0.00 -1.23 0.00 0.00 177.57 176.52 2nws h ALA 2213N 1.36 0.94 -0.00 5.19 0.00 -0.79 -3.08 119.26 122.88 2nws h ALA 2213Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 2nws h ALA 2213Cb 1.30 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.99 2nws h ALA 2213CO 0.08 0.62 -0.38 0.28 0.00 0.00 0.00 179.25 179.85 2nws h VAL 2214N 0.44 1.50 0.00 0.00 2.07 -0.99 -3.47 116.25 115.80 2nws h VAL 2214Ca 0.05 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2nws h VAL 2214Cb 0.83 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2nws h VAL 2214CO 0.07 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.83 2nws n GLY 2215N 1.05 2.89 3.26 2.17 0.00 -0.07 -4.81 105.19 109.68 2nws n GLY 2215Ca -0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 2nws n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nws n ASP 2217N -0.13 0.48 -3.58 0.00 8.00 0.10 -4.97 116.55 116.46 2nws n ASP 2217Ca -0.13 -0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.13 2nws n ASP 2217Cb 0.63 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2nws n ASP 2217CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2nws s GLY 2218N -2.83 -0.45 0.05 0.44 0.00 -1.00 -1.90 107.32 101.62 2nws s GLY 2218Ca 0.17 1.01 0.06 0.00 0.00 0.00 0.00 44.72 45.96 2nws s GLY 2218CO 0.60 0.22 -0.17 0.14 0.00 0.00 0.00 173.10 173.89 2nws s VAL 2219N -2.13 1.38 -0.14 1.40 1.01 -0.10 -1.03 120.40 120.78 2nws s VAL 2219Ca 0.14 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2nws s VAL 2219Cb 0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2nws s VAL 2219CO -0.06 0.05 -0.16 0.12 0.00 0.00 0.00 175.10 175.06 2nws s PHE 2220N -0.90 2.76 -0.17 5.22 2.19 0.90 -0.58 117.98 127.41 2nws s PHE 2220Ca 0.04 -0.98 -0.05 0.00 0.33 0.00 0.00 56.93 56.27 2nws s PHE 2220Cb -0.09 -1.86 0.08 0.00 -1.31 0.00 0.00 43.02 39.84 2nws s PHE 2220CO 0.02 -0.42 0.33 1.41 1.83 0.00 0.00 175.22 178.38 2nws s MET 2221N 0.68 0.23 0.05 10.12 1.75 0.82 -1.07 119.30 131.88 2nws s MET 2221Ca -0.08 0.82 -0.22 0.00 -1.25 0.00 0.00 55.69 54.96 2nws s MET 2221Cb -0.16 0.02 -0.06 0.00 2.84 0.00 0.00 34.83 37.48 2nws s MET 2221CO 0.02 -0.31 0.67 -1.21 -0.65 0.00 0.00 175.02 173.54 2nws s GLU 2222N 2.50 4.39 0.06 4.11 2.02 -1.26 -3.17 118.70 127.35 2nws s GLU 2222Ca 0.01 0.90 0.02 0.00 0.02 0.00 0.00 54.97 55.93 2nws s GLU 2222Cb -0.12 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2nws s GLU 2222CO -0.11 0.41 -0.08 -0.08 0.02 0.00 0.00 175.26 175.42 2nws s THR 2223N -0.41 0.63 -0.15 3.63 -1.32 0.02 -1.36 115.64 116.68 2nws s THR 2223Ca 0.34 -1.25 -0.13 0.00 -1.21 0.00 0.00 61.69 59.44 2nws s THR 2223Cb -0.20 -0.84 0.04 0.00 -1.51 0.00 0.00 72.50 70.00 2nws s THR 2223CO 0.21 -0.45 0.40 -2.28 -2.21 0.00 0.00 174.62 170.29 2nws s HIS 2224N -1.74 -0.48 0.29 9.09 5.04 0.05 -2.90 115.29 124.65 2nws s HIS 2224Ca -0.05 1.12 0.03 0.00 -1.54 0.00 0.00 55.06 54.62 2nws s HIS 2224Cb -0.07 0.18 0.71 0.00 0.04 0.00 0.00 32.58 33.43 2nws s HIS 2224CO -0.00 -0.24 1.70 -1.35 -2.34 0.00 0.00 174.74 172.51 2nws h PRO 2225N 5.94 0.41 -2.41 2.88 0.11 -1.94 -2.65 132.00 134.34 2nws h PRO 2225Ca -0.30 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.20 2nws h PRO 2225Cb 1.18 -0.09 -0.39 0.00 0.11 0.00 0.00 31.00 31.81 2nws h PRO 2225CO 0.27 0.27 -0.94 0.39 -0.21 0.00 0.00 178.00 177.78 2nws n GLU 2226N -5.03 0.45 -0.32 1.05 1.02 -1.26 -4.52 120.64 112.03 2nws n GLU 2226Ca 0.21 -3.35 0.14 0.00 -0.02 0.00 0.00 57.16 54.15 2nws n GLU 2226Cb 0.63 -1.71 0.29 0.00 -0.02 0.00 0.00 31.44 30.63 2nws n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2nws h PRO 2227N 5.43 0.05 -0.71 3.49 0.11 -1.86 0.19 132.00 138.69 2nws h PRO 2227Ca 0.24 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.55 2nws h PRO 2227Cb 0.89 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2nws h PRO 2227CO 0.42 0.03 0.54 1.05 -0.21 0.00 0.00 178.00 179.83 2nws h GLU 2228N 0.05 0.00 -0.00 1.05 -0.00 -1.93 0.18 114.58 113.92 2nws h GLU 2228Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.94 2nws h GLU 2228Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2nws h GLU 2228CO -0.85 0.00 -0.68 1.63 -0.00 0.00 0.00 179.01 179.11 2nws n LYS 2229N -4.19 0.13 -1.55 1.06 5.02 0.64 -4.96 118.16 114.30 2nws n LYS 2229Ca 0.14 -0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 2nws n LYS 2229Cb 0.81 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.33 2nws n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nws n ALA 2230N -1.36 -0.51 0.83 7.82 0.00 0.62 -4.87 120.51 123.04 2nws n ALA 2230Ca 0.06 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2nws n ALA 2230Cb 0.34 -1.96 0.37 0.00 0.00 0.00 0.00 19.45 18.20 2nws n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nws n LEU 2231N 0.76 0.46 -3.87 0.00 4.77 -1.26 -4.61 117.00 113.25 2nws n LEU 2231Ca 0.11 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.30 2nws n LEU 2231Cb 0.39 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 2nws n LEU 2231CO 0.56 -0.01 -0.13 -0.55 -1.33 0.00 0.00 177.39 175.92 2nws s SER 2232N -3.57 0.10 -1.78 -1.43 0.15 -1.26 -4.57 113.70 101.33 2nws s SER 2232Ca 0.11 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.09 2nws s SER 2232Cb 0.16 0.28 0.18 0.00 -1.71 0.00 0.00 66.02 64.93 2nws s SER 2232CO 0.64 -0.58 0.52 0.47 1.20 0.00 0.00 173.24 175.49 2nws n ASP 2233N 0.53 -1.55 -0.22 5.45 9.92 -1.26 -4.82 116.55 124.60 2nws n ASP 2233Ca -0.18 -1.21 -0.04 0.00 -0.53 0.00 0.00 54.79 52.83 2nws n ASP 2233Cb 0.60 -1.85 0.13 0.00 -0.64 0.00 0.00 41.12 39.36 2nws n ASP 2233CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nws h ALA 2234N 0.86 1.14 0.00 2.24 0.00 -1.81 -2.11 119.26 119.57 2nws h ALA 2234Ca -0.61 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 2nws h ALA 2234Cb 1.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2nws h ALA 2234CO 0.84 0.61 -0.18 0.77 0.00 0.00 0.00 179.25 181.28 2nws h SER 2235N 1.00 0.00 -0.00 0.00 0.02 -1.86 -3.30 113.55 109.41 2nws h SER 2235Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2nws h SER 2235Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2nws h SER 2235CO -0.01 0.18 -0.31 0.35 -1.14 0.00 0.00 176.83 175.90 2nws n THR 2236N -4.06 0.00 -2.47 -2.27 -2.24 -1.10 -3.84 114.28 98.30 2nws n THR 2236Ca -0.02 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 2nws n THR 2236Cb 0.26 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 2nws n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2nws s GLN 2237N -1.58 4.60 0.10 -0.78 -0.21 -0.81 -4.84 119.66 116.14 2nws s GLN 2237Ca 0.05 1.79 -0.22 0.00 0.02 0.00 0.00 55.36 57.00 2nws s GLN 2237Cb 0.07 -3.13 -0.07 0.00 1.00 0.00 0.00 33.01 30.88 2nws s GLN 2237CO 0.30 0.18 0.67 -1.17 -2.12 0.00 0.00 175.29 173.15 2nws s LEU 2238N -1.55 4.54 0.17 2.90 2.96 -0.47 -4.79 118.68 122.44 2nws s LEU 2238Ca 0.46 1.43 -0.32 0.00 -0.22 0.00 0.00 54.13 55.48 2nws s LEU 2238Cb -0.31 -3.09 -0.10 0.00 0.50 0.00 0.00 46.19 43.18 2nws s LEU 2238CO 0.40 0.21 1.59 -2.84 -1.32 0.00 0.00 176.35 174.40 2nws s PRO 2239N -0.97 4.20 0.38 0.98 0.02 -1.26 -0.77 135.00 137.60 2nws s PRO 2239Ca 0.33 2.40 0.20 0.00 0.02 0.00 0.00 61.00 63.94 2nws s PRO 2239Cb -0.21 -3.15 1.19 0.00 0.02 0.00 0.00 34.50 32.35 2nws s PRO 2239CO 0.22 -0.63 1.68 1.25 -0.33 0.00 0.00 177.00 179.19 2nws h LEU 2240N 6.84 0.42 -1.96 -5.54 6.46 -1.70 0.61 115.31 120.43 2nws h LEU 2240Ca -0.43 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 2nws h LEU 2240Cb 1.20 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.23 2nws h LEU 2240CO 0.92 -0.09 -0.11 0.77 -0.62 0.00 0.00 178.44 179.32 2nws h SER 2241N 0.28 0.00 0.56 1.25 4.64 -1.89 -2.66 113.55 115.73 2nws h SER 2241Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 2nws h SER 2241Cb 1.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 2nws h SER 2241CO -0.47 0.11 -0.45 0.00 -0.87 0.00 0.00 176.83 175.16 2nws n GLN 2242N -3.68 0.00 -0.15 4.77 6.02 0.20 -4.37 117.38 120.18 2nws n GLN 2242Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.92 2nws n GLN 2242Cb 0.22 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.02 2nws n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2nws h LEU 2243N 0.00 0.28 0.06 1.08 5.85 -1.50 -2.85 115.31 118.23 2nws h LEU 2243Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2nws h LEU 2243Cb 0.50 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2nws h LEU 2243CO 0.00 0.20 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.15 2nws h GLU 2244N 0.42 -0.15 -0.85 1.25 4.81 -1.78 -1.88 114.58 116.39 2nws h GLU 2244Ca 0.21 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2nws h GLU 2244Cb 0.15 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 2nws h GLU 2244CO -0.17 -0.10 0.56 0.78 -0.73 0.00 0.00 179.01 179.35 2nws h GLY 2245N -0.16 1.21 1.30 1.92 0.00 -1.81 -1.76 103.07 103.77 2nws h GLY 2245Ca 0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 2nws h GLY 2245CO -0.03 0.24 -0.61 -2.22 0.00 0.00 0.00 176.54 173.92 2nws h ILE 2246N 0.90 1.30 -0.12 2.60 2.04 -1.26 -1.70 117.51 121.26 2nws h ILE 2246Ca 0.38 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 2nws h ILE 2246Cb 0.30 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2nws h ILE 2246CO -0.15 0.58 0.04 0.40 0.00 0.00 0.00 178.15 179.02 2nws h ILE 2247N 0.54 1.18 -0.80 -0.67 2.04 -0.84 -0.10 117.51 118.85 2nws h ILE 2247Ca -0.01 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.35 2nws h ILE 2247Cb 1.20 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 2nws h ILE 2247CO 0.13 0.16 0.50 -0.08 0.00 0.00 0.00 178.15 178.85 2nws h GLU 2248N 0.01 0.90 -0.26 2.37 4.57 -1.36 -0.44 114.58 120.38 2nws h GLU 2248Ca 0.04 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2nws h GLU 2248Cb 0.22 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2nws h GLU 2248CO -0.00 0.60 0.16 0.00 -1.18 0.00 0.00 179.01 178.59 2nws h ALA 2249N 1.36 0.33 0.00 2.92 0.00 -0.95 -1.66 119.26 121.27 2nws h ALA 2249Ca 0.34 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2nws h ALA 2249Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2nws h ALA 2249CO -0.15 -0.18 -0.45 -0.84 0.00 0.00 0.00 179.25 177.63 2nws h ILE 2250N 0.34 1.26 -0.39 0.00 3.07 -0.45 -1.90 117.51 119.44 2nws h ILE 2250Ca 0.09 -1.57 -0.14 0.00 1.55 0.00 0.00 64.86 64.79 2nws h ILE 2250Cb -0.00 1.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.40 2nws h ILE 2250CO -0.02 0.44 -0.32 -0.07 -1.05 0.00 0.00 178.15 177.14 2nws h LEU 2251N 0.00 0.91 -0.26 0.16 3.38 -0.77 -0.39 115.31 118.34 2nws h LEU 2251Ca -0.00 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 2nws h LEU 2251Cb 0.83 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2nws h LEU 2251CO 0.06 1.14 -0.06 -0.33 0.09 0.00 0.00 178.44 179.34 2nws h GLU 2252N 0.73 0.50 -0.69 1.13 5.08 -1.10 -0.86 114.58 119.37 2nws h GLU 2252Ca 0.08 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2nws h GLU 2252Cb 0.88 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2nws h GLU 2252CO 0.08 0.72 0.28 0.82 -1.00 0.00 0.00 179.01 179.90 2nws h ILE 2253N 0.25 1.24 -0.56 3.13 2.04 -1.30 -2.72 117.51 119.60 2nws h ILE 2253Ca 0.07 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2nws h ILE 2253Cb 0.53 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2nws h ILE 2253CO 0.03 0.31 0.23 -0.09 0.00 0.00 0.00 178.15 178.62 2nws h ARG 2254N 0.99 0.84 -0.54 2.37 2.43 -0.97 0.95 114.38 120.44 2nws h ARG 2254Ca 0.23 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2nws h ARG 2254Cb 0.21 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 2nws h ARG 2254CO -0.02 0.72 0.24 1.49 -1.51 0.00 0.00 179.97 180.89 2nws h GLU 2255N 0.77 0.45 -0.02 0.20 4.22 -0.88 0.17 114.58 119.49 2nws h GLU 2255Ca 0.19 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.54 2nws h GLU 2255Cb 0.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2nws h GLU 2255CO -0.02 0.30 -0.23 0.28 -2.18 0.00 0.00 179.01 177.17 2nws h VAL 2256N 0.47 1.51 -0.52 0.32 2.07 -1.31 -3.36 116.25 115.43 2nws h VAL 2256Ca 0.25 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.86 2nws h VAL 2256Cb 0.21 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2nws h VAL 2256CO -0.21 0.50 0.00 0.00 0.02 0.00 0.00 177.57 177.89 2nws h ALA 2257N 0.31 1.02 -1.43 1.67 0.00 -0.65 -3.20 119.26 116.99 2nws h ALA 2257Ca -0.02 -0.28 0.42 0.00 0.00 0.00 0.00 54.91 55.02 2nws h ALA 2257Cb 0.94 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2nws h ALA 2257CO 0.05 0.61 1.01 0.66 0.00 0.00 0.00 179.25 181.57 2nws h SER 2258N 0.82 0.06 -0.27 0.00 4.64 -0.80 0.52 113.55 118.52 2nws h SER 2258Ca 0.15 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.57 2nws h SER 2258Cb 0.49 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2nws h SER 2258CO 0.02 -0.01 0.23 0.50 -0.87 0.00 0.00 176.83 176.70 2nws h LYS 2259N 0.04 0.00 -0.24 4.77 3.64 -1.76 -2.32 116.57 120.70 2nws h LYS 2259Ca 0.71 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.09 2nws h LYS 2259Cb 2.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.51 2nws h LYS 2259CO -0.08 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.76 2nws n TYR 2260N -4.14 0.30 -1.76 1.91 4.02 0.18 -4.98 117.16 112.70 2nws n TYR 2260Ca 0.03 -0.25 -0.42 0.00 -0.01 0.00 0.00 57.90 57.26 2nws n TYR 2260Cb 0.38 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.66 2nws n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2nws s TYR 2261N -1.12 2.22 0.69 -0.72 2.02 -0.88 -4.94 117.35 114.63 2nws s TYR 2261Ca 0.24 0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 56.84 2nws s TYR 2261Cb 0.14 -4.13 0.02 0.00 -0.40 0.00 0.00 41.96 37.58 2nws s TYR 2261CO 0.20 -4.65 1.19 -1.21 -1.57 0.00 0.00 175.55 169.51 2nws s GLU 2262N 2.68 2.44 0.19 -0.62 8.01 -1.26 -4.98 118.70 125.15 2nws s GLU 2262Ca 0.79 1.70 -0.30 0.00 0.01 0.00 0.00 54.97 57.17 2nws s GLU 2262Cb -0.45 -1.88 -0.08 0.00 -4.31 0.00 0.00 34.13 27.42 2nws s GLU 2262CO 0.35 -1.59 1.05 0.99 0.01 0.00 0.00 175.26 176.07 2nws s THR 2263N -1.98 3.95 0.00 3.63 2.01 -1.26 -5.17 115.64 116.82 2nws s THR 2263Ca 0.73 1.75 0.00 0.00 0.31 0.00 0.00 61.69 64.48 2nws s THR 2263Cb -0.28 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.12 2nws s THR 2263CO 0.42 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.68