#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nxh s PHE 2004N 0.00 2.82 -0.14 5.58 2.19 -1.25 -4.63 117.98 122.56 2nxh s PHE 2004Ca 0.00 1.39 -0.12 0.00 0.33 0.00 0.00 56.93 58.53 2nxh s PHE 2004Cb 0.00 -3.71 -0.05 0.00 -1.31 0.00 0.00 43.02 37.96 2nxh s PHE 2004CO 0.00 -2.15 0.24 -1.17 1.83 0.00 0.00 175.22 173.97 2nxh s LEU 2005N -2.32 4.30 -0.22 6.12 2.96 -0.88 -0.66 118.68 127.98 2nxh s LEU 2005Ca 0.55 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 2nxh s LEU 2005Cb -0.39 -2.28 0.06 0.00 0.50 0.00 0.00 46.19 44.08 2nxh s LEU 2005CO 0.51 0.22 -0.06 -0.69 -1.32 0.00 0.00 176.35 175.01 2nxh s VAL 2006N -0.13 1.52 -0.28 1.68 1.01 -0.20 -1.06 120.40 122.94 2nxh s VAL 2006Ca 0.15 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 2nxh s VAL 2006Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2nxh s VAL 2006CO 0.04 -0.04 0.16 -0.63 0.00 0.00 0.00 175.10 174.63 2nxh s ILE 2007N 1.41 5.04 0.01 2.22 1.01 -0.47 -0.97 121.20 129.45 2nxh s ILE 2007Ca -0.05 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 2nxh s ILE 2007Cb -0.18 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 38.91 2nxh s ILE 2007CO -0.07 0.26 0.34 0.00 0.00 0.00 0.00 174.94 175.47 2nxh s ALA 2008N 1.72 -0.82 0.00 9.38 0.00 -0.60 -0.65 121.76 130.79 2nxh s ALA 2008Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2nxh s ALA 2008Cb -0.16 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2nxh s ALA 2008CO 0.09 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2nxh n GLY 2009N 0.88 0.21 3.78 0.00 0.00 -1.22 -1.35 105.19 107.49 2nxh n GLY 2009Ca -0.20 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 2nxh n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nxh s PRO 2010N -2.00 4.13 0.16 1.61 0.04 -1.20 -1.20 135.00 136.55 2nxh s PRO 2010Ca 0.00 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 2nxh s PRO 2010Cb 0.00 -2.55 0.08 0.00 0.04 0.00 0.00 34.50 32.07 2nxh s PRO 2010CO 0.00 -0.18 1.65 -0.97 0.04 0.00 0.00 177.00 177.54 2nxh h ASN 2011N 2.49 -0.54 -3.50 6.66 -1.24 -1.84 -3.36 115.58 114.25 2nxh h ASN 2011Ca -0.48 0.13 -0.63 0.00 0.71 0.00 0.00 56.30 56.03 2nxh h ASN 2011Cb 1.22 0.30 -0.20 0.00 0.73 0.00 0.00 38.32 40.37 2nxh h ASN 2011CO 0.62 -0.19 -0.83 0.00 -1.29 0.00 0.00 177.43 175.74 2nxh s ALA 2012N -6.17 2.35 -1.20 1.57 0.00 -1.26 -1.04 121.76 116.00 2nxh s ALA 2012Ca -0.14 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 2nxh s ALA 2012Cb 0.14 -0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.00 2nxh s ALA 2012CO 0.70 0.42 1.69 0.42 0.00 0.00 0.00 175.76 178.98 2nxh s ILE 2013N -1.55 3.99 0.36 0.00 1.01 -0.70 -4.73 121.20 119.58 2nxh s ILE 2013Ca 0.17 -1.47 0.11 0.00 0.00 0.00 0.00 60.65 59.46 2nxh s ILE 2013Cb -0.08 -5.07 0.09 0.00 0.01 0.00 0.00 42.46 37.41 2nxh s ILE 2013CO 0.08 -1.88 1.82 -0.33 0.00 0.00 0.00 174.94 174.63 2nxh h GLU 2014N 8.48 0.07 -1.28 2.79 5.08 -1.96 -3.42 114.58 124.35 2nxh h GLU 2014Ca 0.35 -0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.97 2nxh h GLU 2014Cb 0.92 -0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.96 2nxh h GLU 2014CO 1.42 0.41 0.89 -1.54 -1.00 0.00 0.00 179.01 179.19 2nxh s SER 2015N -6.92 -0.08 0.54 1.42 1.04 -1.26 -4.99 113.70 103.45 2nxh s SER 2015Ca -0.03 0.01 0.32 0.00 0.48 0.00 0.00 55.95 56.73 2nxh s SER 2015Cb 0.14 0.09 1.30 0.00 0.10 0.00 0.00 66.02 67.65 2nxh s SER 2015CO 0.73 -0.14 1.96 1.05 0.98 0.00 0.00 173.24 177.83 2nxh h GLU 2016N 2.01 0.00 -0.40 4.02 4.11 -1.96 -2.71 114.58 119.65 2nxh h GLU 2016Ca -0.06 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2nxh h GLU 2016Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2nxh h GLU 2016CO 0.21 0.02 -0.05 1.49 0.07 0.00 0.00 179.01 180.76 2nxh h GLU 2017N 0.00 0.74 -0.62 1.06 4.81 -1.99 -1.38 114.58 117.20 2nxh h GLU 2017Ca -0.00 -0.26 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 2nxh h GLU 2017Cb 0.55 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2nxh h GLU 2017CO 0.00 0.85 0.09 1.25 -0.73 0.00 0.00 179.01 180.48 2nxh h LEU 2018N 0.56 0.97 -0.62 1.64 5.85 -1.87 -1.98 115.31 119.87 2nxh h LEU 2018Ca 0.11 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2nxh h LEU 2018Cb 0.55 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2nxh h LEU 2018CO 0.03 0.98 0.13 -0.07 -0.34 0.00 0.00 178.44 179.16 2nxh h LEU 2019N 0.96 0.95 -0.84 2.25 3.38 -1.29 -1.37 115.31 119.35 2nxh h LEU 2019Ca 0.19 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2nxh h LEU 2019Cb 0.43 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2nxh h LEU 2019CO 0.01 0.96 -0.52 -0.07 0.09 0.00 0.00 178.44 178.90 2nxh h LEU 2020N 0.91 0.16 -0.13 1.67 3.38 -1.10 0.35 115.31 120.54 2nxh h LEU 2020Ca 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2nxh h LEU 2020Cb 0.39 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2nxh h LEU 2020CO 0.01 0.65 -0.09 0.50 0.09 0.00 0.00 178.44 179.60 2nxh h LYS 2021N 0.11 0.29 -0.32 1.13 3.64 -1.11 0.00 116.57 120.31 2nxh h LYS 2021Ca 0.00 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.10 2nxh h LYS 2021Cb 0.96 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2nxh h LYS 2021CO 0.08 0.66 -0.38 0.28 -2.27 0.00 0.00 179.45 177.81 2nxh h VAL 2022N -0.08 1.28 -0.86 2.00 2.07 -1.18 -2.93 116.25 116.56 2nxh h VAL 2022Ca 0.02 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.03 2nxh h VAL 2022Cb 0.59 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2nxh h VAL 2022CO 0.02 0.51 0.55 1.23 0.02 0.00 0.00 177.57 179.91 2nxh h GLY 2023N 0.92 1.26 0.37 2.17 0.00 -0.20 -0.15 103.07 107.43 2nxh h GLY 2023Ca 0.06 -0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.02 2nxh h GLY 2023CO 0.09 0.35 -0.11 -2.09 0.00 0.00 0.00 176.54 174.78 2nxh h GLU 2024N 1.07 -0.06 -0.05 4.80 4.57 -0.81 0.26 114.58 124.37 2nxh h GLU 2024Ca 0.35 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2nxh h GLU 2024Cb 0.02 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2nxh h GLU 2024CO -0.12 -0.04 0.02 1.49 -1.18 0.00 0.00 179.01 179.18 2nxh h GLU 2025N -0.06 0.08 -0.60 1.92 4.57 -1.31 -1.11 114.58 118.07 2nxh h GLU 2025Ca 0.14 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 2nxh h GLU 2025Cb 0.27 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2nxh h GLU 2025CO -0.31 0.19 0.40 0.82 -1.18 0.00 0.00 179.01 178.92 2nxh h ILE 2026N -0.05 1.04 -0.56 2.32 2.04 -0.63 0.97 117.51 122.64 2nxh h ILE 2026Ca 0.02 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 2nxh h ILE 2026Cb 0.14 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2nxh h ILE 2026CO -0.00 0.12 -0.01 0.50 0.00 0.00 0.00 178.15 178.76 2nxh h LYS 2027N 0.65 1.00 -0.05 2.37 1.63 -0.10 0.11 116.57 122.19 2nxh h LYS 2027Ca 0.25 -0.33 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2nxh h LYS 2027Cb 0.16 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2nxh h LYS 2027CO -0.07 1.01 0.02 -0.09 -3.45 0.00 0.00 179.45 176.87 2nxh h ARG 2028N 0.89 0.07 -0.56 1.90 2.43 0.35 -1.74 114.38 117.71 2nxh h ARG 2028Ca 0.16 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2nxh h ARG 2028Cb 0.56 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2nxh h ARG 2028CO 0.03 0.14 0.37 -0.07 -1.51 0.00 0.00 179.97 178.94 2nxh h LEU 2029N -0.03 0.60 -1.20 3.80 -0.00 -0.80 -0.36 115.31 117.33 2nxh h LEU 2029Ca 0.02 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 2nxh h LEU 2029Cb 0.10 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 40.56 2nxh h LEU 2029CO -0.00 0.43 0.56 -1.28 -0.00 0.00 0.00 178.44 178.14 2nxh h SER 2030N 0.71 0.88 0.89 -0.43 0.87 0.05 0.49 113.55 117.01 2nxh h SER 2030Ca 0.21 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.55 2nxh h SER 2030Cb -0.00 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2nxh h SER 2030CO -0.05 0.59 -1.17 -0.33 -0.53 0.00 0.00 176.83 175.33 2nxh h GLU 2031N 1.01 0.00 -0.14 2.24 4.39 -0.43 -3.33 114.58 118.33 2nxh h GLU 2031Ca 0.35 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.88 2nxh h GLU 2031Cb 0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2nxh h GLU 2031CO -0.12 0.76 -0.60 -0.22 -1.16 0.00 0.00 179.01 177.67 2nxh h LYS 2032N 0.00 0.65 -2.84 2.33 3.64 -0.49 -3.36 116.57 116.49 2nxh h LYS 2032Ca -0.10 -0.52 -0.68 0.00 -1.27 0.00 0.00 60.65 58.09 2nxh h LYS 2032Cb 1.78 0.10 -0.37 0.00 -0.41 0.00 0.00 32.23 33.34 2nxh h LYS 2032CO 0.10 1.14 -0.14 1.19 -2.27 0.00 0.00 179.45 179.47 2nxh n PHE 2033N -4.11 3.57 0.32 1.91 3.01 0.11 -4.87 117.46 117.40 2nxh n PHE 2033Ca -0.08 -3.87 0.22 0.00 1.01 0.00 0.00 57.45 54.73 2nxh n PHE 2033Cb 0.65 -0.91 1.15 0.00 -0.01 0.00 0.00 39.48 40.36 2nxh n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2nxh h LYS 2034N 5.21 0.00 0.00 -1.08 1.79 -1.73 -0.60 116.57 120.16 2nxh h LYS 2034Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2nxh h LYS 2034Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2nxh h LYS 2034CO 0.93 0.00 0.00 -1.91 -1.08 0.00 0.00 179.45 177.39 2nxh n GLU 2035N -3.01 0.16 -4.47 3.15 4.07 -1.26 -4.80 120.64 114.48 2nxh n GLU 2035Ca -0.03 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.74 2nxh n GLU 2035Cb 0.08 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 29.86 2nxh n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2nxh s VAL 2036N -2.84 3.88 -0.42 6.31 1.01 -0.24 -3.77 120.40 124.33 2nxh s VAL 2036Ca 0.19 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2nxh s VAL 2036Cb 0.19 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.95 2nxh s VAL 2036CO 0.50 0.50 0.37 -0.70 0.00 0.00 0.00 175.10 175.78 2nxh s GLU 2037N -1.12 3.02 0.11 2.72 2.12 0.16 -4.97 118.70 120.74 2nxh s GLU 2037Ca 0.15 -0.95 -0.11 0.00 0.36 0.00 0.00 54.97 54.42 2nxh s GLU 2037Cb -0.11 -3.99 -0.06 0.00 0.26 0.00 0.00 34.13 30.22 2nxh s GLU 2037CO 0.05 -0.83 0.46 -0.06 -0.54 0.00 0.00 175.26 174.33 2nxh s PHE 2038N 1.89 3.58 -0.06 5.30 0.40 -1.26 -1.04 117.98 126.78 2nxh s PHE 2038Ca 0.08 0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 57.28 2nxh s PHE 2038Cb -0.19 -2.23 0.03 0.00 0.51 0.00 0.00 43.02 41.14 2nxh s PHE 2038CO 0.11 0.47 -0.01 0.08 0.70 0.00 0.00 175.22 176.57 2nxh s VAL 2039N -1.46 0.38 -0.04 -0.44 1.01 -0.14 -4.21 120.40 115.50 2nxh s VAL 2039Ca 0.36 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 2nxh s VAL 2039Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 2nxh s VAL 2039CO 0.19 0.24 0.98 0.12 0.00 0.00 0.00 175.10 176.63 2nxh s PHE 2040N 1.63 3.61 0.01 5.22 5.36 0.22 -1.55 117.98 132.47 2nxh s PHE 2040Ca -0.00 1.65 0.08 0.00 -0.96 0.00 0.00 56.93 57.69 2nxh s PHE 2040Cb -0.13 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 2nxh s PHE 2040CO -0.04 -0.08 -0.23 0.21 -1.46 0.00 0.00 175.22 173.62 2nxh s LYS 2041N 1.36 1.73 -0.29 10.12 2.36 -0.46 -1.05 119.74 133.52 2nxh s LYS 2041Ca 0.50 -0.91 -0.17 0.00 -2.55 0.00 0.00 55.97 52.85 2nxh s LYS 2041Cb -0.20 -1.76 0.15 0.00 -1.05 0.00 0.00 37.83 34.97 2nxh s LYS 2041CO 0.24 0.47 1.01 0.45 1.55 0.00 0.00 175.35 179.08 2nxh s SER 2042N -0.83 -0.45 -0.08 1.43 0.15 -1.17 -3.21 113.70 109.54 2nxh s SER 2042Ca 0.09 0.74 -0.28 0.00 0.70 0.00 0.00 55.95 57.20 2nxh s SER 2042Cb -0.09 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.34 2nxh s SER 2042CO 0.00 -0.12 0.91 -0.44 1.20 0.00 0.00 173.24 174.80 2nxh s SER 2043N 1.21 7.17 0.20 5.45 0.01 -0.21 -4.59 113.70 122.95 2nxh s SER 2043Ca -0.08 1.43 0.25 0.00 1.31 0.00 0.00 55.95 58.86 2nxh s SER 2043Cb -0.04 -2.51 0.89 0.00 0.21 0.00 0.00 66.02 64.57 2nxh s SER 2043CO -0.14 -0.33 1.76 2.22 0.41 0.00 0.00 173.24 177.16 2nxh n PHE 2044N 4.54 0.81 -3.69 2.43 1.16 -1.26 -1.72 117.46 119.72 2nxh n PHE 2044Ca 0.05 0.26 -0.11 0.00 -1.87 0.00 0.00 57.45 55.78 2nxh n PHE 2044Cb 0.50 -0.92 -0.09 0.00 -1.61 0.00 0.00 39.48 37.35 2nxh n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nxh s ASP 2045N -4.30 -0.58 -0.82 5.98 2.15 -1.26 -3.85 116.67 113.99 2nxh s ASP 2045Ca 0.09 1.04 -0.14 0.00 0.43 0.00 0.00 52.55 53.97 2nxh s ASP 2045Cb 0.12 0.98 0.22 0.00 -0.30 0.00 0.00 42.92 43.94 2nxh s ASP 2045CO 0.53 -0.19 0.76 -0.54 -0.17 0.00 0.00 175.17 175.56 2nxh s LYS 2046N 0.84 3.57 0.00 4.34 -0.14 0.69 -4.88 119.74 124.16 2nxh s LYS 2046Ca -0.05 -2.48 0.29 0.00 -1.36 0.00 0.00 55.97 52.38 2nxh s LYS 2046Cb -0.05 -4.40 1.36 0.00 -1.68 0.00 0.00 37.83 33.06 2nxh s LYS 2046CO -0.07 -1.29 1.97 0.00 -0.76 0.00 0.00 175.35 175.21 2nxh n ALA 2047N 3.93 2.52 -1.61 5.17 0.00 -1.26 -3.98 120.51 125.28 2nxh n ALA 2047Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2nxh n ALA 2047Cb 0.47 -1.45 0.17 0.00 0.00 0.00 0.00 19.45 18.64 2nxh n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nxh n ASN 2048N -1.31 1.70 -4.65 0.00 2.04 -1.26 -5.08 115.26 106.70 2nxh n ASN 2048Ca 0.12 -3.48 -0.35 0.00 -0.44 0.00 0.00 54.58 50.42 2nxh n ASN 2048Cb 0.28 -0.48 0.10 0.00 -2.53 0.00 0.00 39.78 37.15 2nxh n ASN 2048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2nxh n ARG 2049N -0.97 0.52 -0.10 -3.83 5.12 -1.26 -4.92 116.66 111.23 2nxh n ARG 2049Ca 0.16 0.24 -0.13 0.00 -1.93 0.00 0.00 57.85 56.19 2nxh n ARG 2049Cb 0.73 -2.33 -0.04 0.00 -1.16 0.00 0.00 32.46 29.66 2nxh n ARG 2049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2nxh h SER 2050N -0.31 0.73 -3.01 0.55 0.02 -1.97 -3.44 113.55 106.11 2nxh h SER 2050Ca -0.48 -0.46 -0.67 0.00 -0.84 0.00 0.00 61.79 59.34 2nxh h SER 2050Cb 1.32 -0.20 -0.11 0.00 0.14 0.00 0.00 62.40 63.55 2nxh h SER 2050CO 0.48 1.03 -0.55 -0.55 -1.14 0.00 0.00 176.83 176.09 2nxh s SER 2051N -6.50 5.78 0.29 3.07 0.15 -1.26 -4.99 113.70 110.25 2nxh s SER 2051Ca -0.12 0.29 0.21 0.00 0.70 0.00 0.00 55.95 57.03 2nxh s SER 2051Cb 0.09 -1.77 1.08 0.00 -1.71 0.00 0.00 66.02 63.71 2nxh s SER 2051CO 0.82 0.38 1.65 0.00 1.20 0.00 0.00 173.24 177.30 2nxh n ILE 2052N 2.12 1.02 0.96 6.45 0.13 -1.26 -2.40 119.36 126.38 2nxh n ILE 2052Ca -0.19 0.59 0.10 0.00 -1.10 0.00 0.00 62.75 62.15 2nxh n ILE 2052Cb 0.54 -1.57 -0.11 0.00 -0.84 0.00 0.00 39.64 37.66 2nxh n ILE 2052CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 2nxh n HIS 2053N -2.22 0.00 -1.09 9.51 8.25 -1.26 -4.99 115.22 123.42 2nxh n HIS 2053Ca -0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 2nxh n HIS 2053Cb 0.09 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.32 2nxh n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nxh s SER 2054N -2.92 3.83 0.28 0.41 0.01 -1.01 -4.95 113.70 109.36 2nxh s SER 2054Ca 0.08 1.84 -0.30 0.00 1.31 0.00 0.00 55.95 58.88 2nxh s SER 2054Cb 0.15 -2.46 -0.11 0.00 0.21 0.00 0.00 66.02 63.81 2nxh s SER 2054CO 0.83 -2.47 1.48 0.12 0.41 0.00 0.00 173.24 173.62 2nxh s PHE 2055N -2.84 2.90 -0.08 2.43 5.36 -1.26 -4.94 117.98 119.55 2nxh s PHE 2055Ca 0.63 0.99 -0.03 0.00 -0.96 0.00 0.00 56.93 57.55 2nxh s PHE 2055Cb -0.19 -3.91 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 2nxh s PHE 2055CO 0.57 -2.94 -0.09 0.54 -1.46 0.00 0.00 175.22 171.83 2nxh n ARG 2056N 2.01 0.16 -2.91 10.12 1.74 -1.26 -4.73 116.66 121.79 2nxh n ARG 2056Ca 0.06 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2nxh n ARG 2056Cb 0.39 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 2nxh n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nxh n GLY 2057N 2.58 -1.41 1.25 -0.13 0.00 -1.26 -0.23 105.19 106.00 2nxh n GLY 2057Ca -0.15 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.49 2nxh n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nxh n HIS 2058N 2.99 1.24 0.00 1.61 8.25 -1.25 -5.04 115.22 123.02 2nxh n HIS 2058Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 2nxh n HIS 2058Cb 0.00 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.83 2nxh n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nxh n GLY 2059N 0.40 1.60 0.26 -1.41 0.00 -1.26 -4.40 105.19 100.38 2nxh n GLY 2059Ca 0.22 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 2nxh n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nxh h LEU 2060N 0.00 0.82 0.01 0.99 5.85 -1.98 -2.09 115.31 118.91 2nxh h LEU 2060Ca 0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2nxh h LEU 2060Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2nxh h LEU 2060CO 0.00 0.83 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.59 2nxh h GLU 2061N 0.77 -0.01 -0.81 1.25 5.08 -1.98 0.14 114.58 119.03 2nxh h GLU 2061Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2nxh h GLU 2061Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2nxh h GLU 2061CO -0.00 -0.00 0.40 -0.92 -1.00 0.00 0.00 179.01 177.48 2nxh h TYR 2062N -0.01 1.15 -0.52 4.33 3.20 -1.76 -2.01 116.97 121.36 2nxh h TYR 2062Ca -0.00 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 2nxh h TYR 2062Cb 0.01 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 2nxh h TYR 2062CO -0.08 0.83 -0.03 0.78 -1.64 0.00 0.00 178.16 178.02 2nxh h GLY 2063N 1.17 1.01 1.08 1.82 0.00 -0.99 -0.32 103.07 106.85 2nxh h GLY 2063Ca 0.28 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 2nxh h GLY 2063CO -0.04 0.70 -0.10 -2.08 0.00 0.00 0.00 176.54 175.03 2nxh h VAL 2064N 0.80 1.27 -0.63 4.60 2.07 -0.83 0.14 116.25 123.66 2nxh h VAL 2064Ca 0.14 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2nxh h VAL 2064Cb 0.57 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2nxh h VAL 2064CO 0.03 0.44 0.14 0.50 0.02 0.00 0.00 177.57 178.70 2nxh h LYS 2065N 0.87 1.01 -0.36 1.57 3.64 -1.24 0.50 116.57 122.55 2nxh h LYS 2065Ca 0.14 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 2nxh h LYS 2065Cb 0.67 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2nxh h LYS 2065CO 0.05 0.90 -0.26 0.00 -2.27 0.00 0.00 179.45 177.87 2nxh h ALA 2066N 1.19 0.52 -0.37 5.00 0.00 -0.68 -2.05 119.26 122.87 2nxh h ALA 2066Ca 0.20 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2nxh h ALA 2066Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2nxh h ALA 2066CO 0.00 0.52 -0.22 -0.07 0.00 0.00 0.00 179.25 179.49 2nxh h LEU 2067N 0.61 0.74 -0.92 0.00 3.38 -0.76 -2.61 115.31 115.75 2nxh h LEU 2067Ca 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2nxh h LEU 2067Cb 0.83 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2nxh h LEU 2067CO 0.07 0.94 0.36 -0.09 0.09 0.00 0.00 178.44 179.82 2nxh h ARG 2068N 0.64 1.15 -0.92 1.13 2.43 -0.77 -1.28 114.38 116.74 2nxh h ARG 2068Ca 0.09 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2nxh h ARG 2068Cb 0.71 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 2nxh h ARG 2068CO 0.05 0.89 0.59 -0.22 -1.51 0.00 0.00 179.97 179.78 2nxh h LYS 2069N 1.13 1.23 -0.50 0.20 1.63 -1.04 0.03 116.57 119.24 2nxh h LYS 2069Ca 0.27 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 2nxh h LYS 2069Cb 0.14 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2nxh h LYS 2069CO -0.03 0.83 0.08 0.28 -3.45 0.00 0.00 179.45 177.15 2nxh h VAL 2070N 1.26 1.25 -0.50 2.00 2.07 -1.05 -1.01 116.25 120.28 2nxh h VAL 2070Ca 0.34 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2nxh h VAL 2070Cb -0.11 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2nxh h VAL 2070CO -0.07 0.34 0.22 0.50 0.02 0.00 0.00 177.57 178.58 2nxh h LYS 2071N 0.72 0.73 -0.17 1.57 3.64 -0.59 -1.01 116.57 121.46 2nxh h LYS 2071Ca 0.15 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 59.22 2nxh h LYS 2071Cb 0.41 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2nxh h LYS 2071CO 0.01 0.63 -0.65 0.93 -2.27 0.00 0.00 179.45 178.10 2nxh h GLU 2072N 0.67 0.74 -0.04 1.90 5.08 -0.94 0.26 114.58 122.24 2nxh h GLU 2072Ca 0.17 -0.57 -0.17 0.00 -1.00 0.00 0.00 59.36 57.79 2nxh h GLU 2072Cb 0.15 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2nxh h GLU 2072CO -0.02 1.19 -0.71 1.49 -1.00 0.00 0.00 179.01 179.95 2nxh h GLU 2073N 0.46 0.22 -0.00 2.33 4.81 -1.17 -3.36 114.58 117.87 2nxh h GLU 2073Ca -0.03 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2nxh h GLU 2073Cb 1.28 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2nxh h GLU 2073CO 0.14 0.84 -0.07 1.19 -0.73 0.00 0.00 179.01 180.39 2nxh n PHE 2074N -3.79 0.00 -1.70 0.92 3.72 -0.39 -5.01 117.46 111.21 2nxh n PHE 2074Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 2nxh n PHE 2074Cb 0.69 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.19 2nxh n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nxh n GLY 2075N 0.70 0.93 3.86 1.37 0.00 0.90 -4.96 105.19 107.99 2nxh n GLY 2075Ca 0.01 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2nxh n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nxh s LEU 2076N -3.58 4.14 0.64 0.99 1.43 -1.24 -5.04 118.68 116.03 2nxh s LEU 2076Ca 0.00 1.12 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 2nxh s LEU 2076Cb 0.00 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2nxh s LEU 2076CO 0.00 -0.11 1.04 -0.54 0.23 0.00 0.00 176.35 176.97 2nxh s LYS 2077N -2.78 3.28 0.07 1.70 1.02 -1.26 -4.45 119.74 117.32 2nxh s LYS 2077Ca 0.49 0.93 0.06 0.00 0.02 0.00 0.00 55.97 57.48 2nxh s LYS 2077Cb -0.11 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.13 2nxh s LYS 2077CO 0.19 -0.83 -0.17 0.42 -0.92 0.00 0.00 175.35 174.04 2nxh s ILE 2078N -2.96 1.38 -0.07 2.17 -1.09 -1.26 -0.61 121.20 118.77 2nxh s ILE 2078Ca 0.58 -1.29 -0.06 0.00 -2.23 0.00 0.00 60.65 57.65 2nxh s ILE 2078Cb -0.13 -1.26 0.02 0.00 -1.58 0.00 0.00 42.46 39.50 2nxh s ILE 2078CO 0.50 -0.05 0.17 0.28 -1.23 0.00 0.00 174.94 174.61 2nxh s THR 2079N -1.06 -0.00 0.11 2.92 -1.32 -0.21 -0.10 115.64 115.97 2nxh s THR 2079Ca 0.03 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.37 2nxh s THR 2079Cb -0.09 -0.25 0.02 0.00 -1.51 0.00 0.00 72.50 70.67 2nxh s THR 2079CO 0.03 0.00 0.34 0.28 -2.21 0.00 0.00 174.62 173.06 2nxh s THR 2080N 0.11 0.09 0.16 5.08 -1.32 -1.20 -3.02 115.64 115.54 2nxh s THR 2080Ca -0.00 -0.74 -0.01 0.00 -1.21 0.00 0.00 61.69 59.73 2nxh s THR 2080Cb -0.01 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 2nxh s THR 2080CO 0.00 -0.41 0.34 1.51 -2.21 0.00 0.00 174.62 173.85 2nxh s ASP 2081N -2.78 6.39 0.26 8.08 -4.77 -1.26 -1.20 116.67 121.39 2nxh s ASP 2081Ca 0.03 0.36 0.10 0.00 -3.30 0.00 0.00 52.55 49.74 2nxh s ASP 2081Cb 0.03 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 39.82 2nxh s ASP 2081CO -0.11 0.03 -0.05 0.27 0.70 0.00 0.00 175.17 176.01 2nxh s ILE 2082N -1.75 3.25 0.00 2.11 -4.36 -0.67 -4.76 121.20 115.02 2nxh s ILE 2082Ca 0.37 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2nxh s ILE 2082Cb -0.12 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.87 2nxh s ILE 2082CO 0.28 -0.36 0.00 1.41 0.24 0.00 0.00 174.94 176.51 2nxh n HIS 2083N -0.77 0.00 -3.75 1.37 8.25 -1.26 -4.41 115.22 114.65 2nxh n HIS 2083Ca -0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 2nxh n HIS 2083Cb 0.59 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 2nxh n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nxh s GLU 2084N -0.73 0.53 0.29 -0.41 2.02 -1.26 -5.08 118.70 114.06 2nxh s GLU 2084Ca 0.00 0.20 -0.00 0.00 0.02 0.00 0.00 54.97 55.19 2nxh s GLU 2084Cb 0.00 0.24 0.68 0.00 0.10 0.00 0.00 34.13 35.16 2nxh s GLU 2084CO 0.00 -0.11 1.59 0.77 0.02 0.00 0.00 175.26 177.53 2nxh h SER 2085N 4.83 -0.44 -0.12 -0.19 0.02 -1.91 -1.32 113.55 114.43 2nxh h SER 2085Ca -0.28 0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2nxh h SER 2085Cb 1.18 0.45 -0.00 0.00 0.14 0.00 0.00 62.40 64.17 2nxh h SER 2085CO 0.33 -0.31 0.20 4.11 -1.14 0.00 0.00 176.83 180.03 2nxh h TRP 2086N 0.04 0.00 0.00 3.45 5.08 -1.98 -2.40 115.95 120.14 2nxh h TRP 2086Ca 0.56 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.53 2nxh h TRP 2086Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 2nxh h TRP 2086CO -0.48 0.00 0.00 1.96 -1.28 0.00 0.00 178.44 178.64 2nxh h GLN 2087N 0.00 0.00 0.03 0.12 4.20 -1.67 -3.36 115.11 114.43 2nxh h GLN 2087Ca 0.05 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.79 2nxh h GLN 2087Cb 0.46 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2nxh h GLN 2087CO -0.00 0.00 -0.18 0.00 -0.67 0.00 0.00 178.83 177.98 2nxh h ALA 2088N 2.02 -0.24 0.32 3.87 0.00 -1.59 -2.13 119.26 121.51 2nxh h ALA 2088Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nxh h ALA 2088Cb 0.80 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2nxh h ALA 2088CO 0.00 -0.68 -0.45 1.49 0.00 0.00 0.00 179.25 179.61 2nxh h GLU 2089N -0.30 -0.79 -0.15 0.00 4.81 -1.79 0.11 114.58 116.47 2nxh h GLU 2089Ca 0.05 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2nxh h GLU 2089Cb 0.36 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2nxh h GLU 2089CO -0.15 -0.53 -0.10 -1.00 -0.73 0.00 0.00 179.01 176.51 2nxh h PRO 2090N -0.82 0.23 -0.24 0.92 0.13 -1.77 -2.40 132.00 128.05 2nxh h PRO 2090Ca -0.02 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.92 2nxh h PRO 2090Cb 0.76 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2nxh h PRO 2090CO -0.14 0.35 -0.42 0.28 -0.23 0.00 0.00 178.00 177.84 2nxh h VAL 2091N 0.23 1.30 0.00 1.56 2.07 -1.08 -2.87 116.25 117.46 2nxh h VAL 2091Ca 0.05 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2nxh h VAL 2091Cb 0.33 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2nxh h VAL 2091CO 0.02 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.11 2nxh h ALA 2092N 1.06 1.00 0.00 1.67 0.00 -0.25 -0.84 119.26 121.90 2nxh h ALA 2092Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nxh h ALA 2092Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2nxh h ALA 2092CO 0.08 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.26 2nxh h GLU 2093N 0.00 0.00 0.00 0.00 4.39 -1.50 -3.33 114.58 114.14 2nxh h GLU 2093Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2nxh h GLU 2093Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2nxh h GLU 2093CO 0.00 0.00 -0.52 0.28 -1.16 0.00 0.00 179.01 177.61 2nxh n VAL 2094N -2.82 0.00 -2.73 3.13 0.31 -0.82 -5.07 118.33 110.33 2nxh n VAL 2094Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.92 2nxh n VAL 2094Cb 0.23 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 32.77 2nxh n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nxh s ALA 2095N -1.42 3.20 0.00 3.52 0.00 -0.38 -4.55 121.76 122.13 2nxh s ALA 2095Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.59 2nxh s ALA 2095Cb 0.00 -3.31 -0.23 0.00 0.00 0.00 0.00 23.12 19.58 2nxh s ALA 2095CO 0.00 -0.14 0.84 -0.44 0.00 0.00 0.00 175.76 176.02 2nxh h ASP 2096N 6.30 0.07 -3.33 0.00 3.32 -0.84 -3.44 116.42 118.50 2nxh h ASP 2096Ca -0.42 -0.11 -0.45 0.00 0.02 0.00 0.00 57.03 56.08 2nxh h ASP 2096Cb 1.22 -0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 2nxh h ASP 2096CO 0.74 1.09 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.94 2nxh s ILE 2097N -2.63 0.60 -0.18 0.35 1.01 -0.92 -2.64 121.20 116.79 2nxh s ILE 2097Ca -0.04 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 2nxh s ILE 2097Cb 0.08 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2nxh s ILE 2097CO 0.82 0.27 0.40 -0.63 0.00 0.00 0.00 174.94 175.81 2nxh s ILE 2098N 1.46 5.21 -0.12 2.92 1.01 0.08 -3.23 121.20 128.53 2nxh s ILE 2098Ca -0.02 0.75 -0.11 0.00 0.00 0.00 0.00 60.65 61.27 2nxh s ILE 2098Cb -0.13 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2nxh s ILE 2098CO -0.03 0.29 0.25 -1.58 0.00 0.00 0.00 174.94 173.86 2nxh s GLN 2099N 1.03 3.93 -0.29 2.79 0.74 -0.34 -0.49 119.66 127.03 2nxh s GLN 2099Ca 0.20 0.04 -0.07 0.00 0.05 0.00 0.00 55.36 55.58 2nxh s GLN 2099Cb -0.15 -3.31 -0.00 0.00 1.10 0.00 0.00 33.01 30.65 2nxh s GLN 2099CO 0.08 0.51 0.09 0.42 -0.55 0.00 0.00 175.29 175.84 2nxh s ILE 2100N -0.32 4.17 0.57 -2.34 -1.09 0.62 -1.67 121.20 121.13 2nxh s ILE 2100Ca 0.16 -0.51 -0.19 0.00 -2.23 0.00 0.00 60.65 57.87 2nxh s ILE 2100Cb -0.13 -3.10 -0.06 0.00 -1.58 0.00 0.00 42.46 37.59 2nxh s ILE 2100CO 0.05 0.14 0.93 -2.65 -1.23 0.00 0.00 174.94 172.18 2nxh n PRO 2101N 4.90 0.95 -0.24 2.79 -0.02 -1.26 -0.66 135.00 141.47 2nxh n PRO 2101Ca -0.15 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 2nxh n PRO 2101Cb 0.49 -2.11 0.14 0.00 -0.02 0.00 0.00 33.50 32.00 2nxh n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nxh h ALA 2102N 0.66 0.95 0.00 3.55 0.00 -1.88 -0.66 119.26 121.87 2nxh h ALA 2102Ca -0.48 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2nxh h ALA 2102Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2nxh h ALA 2102CO 0.52 -0.09 0.00 0.74 0.00 0.00 0.00 179.25 180.41 2nxh h PHE 2103N 0.55 0.00 -0.53 0.00 0.04 -1.91 -3.14 116.94 111.95 2nxh h PHE 2103Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2nxh h PHE 2103Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 2nxh h PHE 2103CO -0.12 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.87 2nxh n LEU 2104N -2.93 3.42 0.13 1.54 4.77 -0.30 -4.63 117.00 118.99 2nxh n LEU 2104Ca 0.01 -1.98 0.09 0.00 -0.03 0.00 0.00 56.01 54.10 2nxh n LEU 2104Cb 0.28 -0.35 0.47 0.00 -2.33 0.00 0.00 43.42 41.48 2nxh n LEU 2104CO 0.25 0.85 0.77 0.00 -1.33 0.00 0.00 177.39 177.93 2nxh n ARG 2106N -2.10 1.63 -2.45 0.00 5.12 -1.26 -4.89 116.66 112.71 2nxh n ARG 2106Ca -0.01 -0.92 -0.40 0.00 -1.93 0.00 0.00 57.85 54.59 2nxh n ARG 2106Cb 0.04 -1.26 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 2nxh n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nxh s GLN 2107N -1.71 3.18 0.21 5.56 -1.52 -0.56 -4.89 119.66 119.92 2nxh s GLN 2107Ca 0.14 -0.39 -0.17 0.00 -1.95 0.00 0.00 55.36 52.99 2nxh s GLN 2107Cb 0.12 -4.61 0.20 0.00 -0.22 0.00 0.00 33.01 28.50 2nxh s GLN 2107CO 0.34 -2.34 1.59 1.15 -0.25 0.00 0.00 175.29 175.79 2nxh h THR 2108N 6.46 0.19 -0.44 -0.19 2.02 -1.90 -1.40 112.91 117.65 2nxh h THR 2108Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.08 2nxh h THR 2108Cb 1.05 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2nxh h THR 2108CO 1.31 0.00 0.29 0.44 0.37 0.00 0.00 175.52 177.93 2nxh h ASP 2109N -0.09 0.47 -0.20 4.18 3.32 -1.98 -0.67 116.42 121.44 2nxh h ASP 2109Ca 0.28 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 2nxh h ASP 2109Cb 0.55 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 2nxh h ASP 2109CO -0.73 0.34 -0.20 0.25 -1.72 0.00 0.00 179.24 177.17 2nxh h LEU 2110N 0.56 0.52 -0.62 1.55 5.85 -1.64 -1.12 115.31 120.41 2nxh h LEU 2110Ca 0.17 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2nxh h LEU 2110Cb -0.01 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2nxh h LEU 2110CO -0.04 0.90 0.35 -0.07 -0.34 0.00 0.00 178.44 179.24 2nxh h LEU 2111N 0.16 0.77 -0.21 2.25 3.38 -1.02 -1.66 115.31 118.98 2nxh h LEU 2111Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2nxh h LEU 2111Cb 0.75 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2nxh h LEU 2111CO 0.05 0.64 0.08 -0.07 0.09 0.00 0.00 178.44 179.23 2nxh h LEU 2112N 0.85 0.30 -0.73 1.67 3.38 -1.12 -0.96 115.31 118.69 2nxh h LEU 2112Ca 0.22 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2nxh h LEU 2112Cb 0.03 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 2nxh h LEU 2112CO -0.04 0.40 0.43 0.00 0.09 0.00 0.00 178.44 179.32 2nxh h ALA 2113N 0.91 1.00 -0.29 1.53 0.00 -1.02 0.01 119.26 121.41 2nxh h ALA 2113Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nxh h ALA 2113Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2nxh h ALA 2113CO -0.00 0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.42 2nxh h ALA 2114N 1.37 0.39 -0.85 0.00 0.00 -1.13 -3.01 119.26 116.03 2nxh h ALA 2114Ca 0.33 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2nxh h ALA 2114Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2nxh h ALA 2114CO -0.18 0.08 0.56 0.00 0.00 0.00 0.00 179.25 179.70 2nxh h ALA 2115N 0.88 1.42 0.00 0.00 0.00 -0.49 -2.70 119.26 118.36 2nxh h ALA 2115Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2nxh h ALA 2115Cb 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nxh h ALA 2115CO 0.01 0.53 -0.09 -0.22 0.00 0.00 0.00 179.25 179.47 2nxh h LYS 2116N 1.12 0.00 0.00 0.00 3.64 -0.88 -2.66 116.57 117.80 2nxh h LYS 2116Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2nxh h LYS 2116Cb -0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2nxh h LYS 2116CO -0.08 0.09 0.00 1.79 -2.27 0.00 0.00 179.45 178.99 2nxh h THR 2117N 0.00 0.00 0.00 1.00 1.35 -1.46 -3.46 112.91 110.34 2nxh h THR 2117Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2nxh h THR 2117Cb 0.26 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2nxh h THR 2117CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2nxh n GLY 2118N -0.10 1.09 3.93 5.82 0.00 -1.00 -5.05 105.19 109.89 2nxh n GLY 2118Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2nxh n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nxh s ARG 2119N -0.52 2.79 0.69 1.61 1.81 -1.26 -4.94 118.95 119.13 2nxh s ARG 2119Ca 0.00 -0.25 -0.15 0.00 -1.72 0.00 0.00 55.73 53.61 2nxh s ARG 2119Cb 0.00 -2.35 0.02 0.00 -0.45 0.00 0.00 34.95 32.17 2nxh s ARG 2119CO 0.00 -0.69 1.15 0.00 -0.68 0.00 0.00 175.30 175.08 2nxh s ALA 2120N -2.91 2.31 -0.05 2.13 0.00 -1.08 -4.79 121.76 117.36 2nxh s ALA 2120Ca 0.54 0.70 0.03 0.00 0.00 0.00 0.00 51.96 53.23 2nxh s ALA 2120Cb -0.10 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2nxh s ALA 2120CO 0.43 -1.54 -0.13 0.08 0.00 0.00 0.00 175.76 174.59 2nxh s VAL 2121N -2.17 1.17 -0.21 0.00 1.01 -0.21 -0.74 120.40 119.25 2nxh s VAL 2121Ca 0.70 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2nxh s VAL 2121Cb -0.24 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2nxh s VAL 2121CO 0.43 0.36 -0.15 0.21 0.00 0.00 0.00 175.10 175.94 2nxh s ASN 2122N 0.40 3.67 -0.24 3.32 3.04 0.35 -0.99 114.94 124.49 2nxh s ASN 2122Ca -0.10 -0.87 -0.09 0.00 0.04 0.00 0.00 52.86 51.85 2nxh s ASN 2122Cb -0.13 -1.53 -0.04 0.00 -1.54 0.00 0.00 41.25 38.00 2nxh s ASN 2122CO 0.03 -0.07 0.13 -0.69 -3.04 0.00 0.00 177.10 173.46 2nxh s VAL 2123N 1.25 5.00 -0.03 -5.21 1.01 -0.72 -0.27 120.40 121.43 2nxh s VAL 2123Ca 0.01 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2nxh s VAL 2123Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2nxh s VAL 2123CO -0.09 0.34 1.25 -0.54 0.00 0.00 0.00 175.10 176.06 2nxh s LYS 2124N 1.20 4.35 0.01 2.72 -0.14 0.16 -0.61 119.74 127.43 2nxh s LYS 2124Ca 0.06 1.75 -0.30 0.00 -1.36 0.00 0.00 55.97 56.12 2nxh s LYS 2124Cb -0.14 -3.53 -0.06 0.00 -1.68 0.00 0.00 37.83 32.42 2nxh s LYS 2124CO 0.05 -0.45 1.43 0.21 -0.76 0.00 0.00 175.35 175.83 2nxh s LYS 2125N 2.09 4.27 0.52 1.68 2.20 -0.01 -4.05 119.74 126.44 2nxh s LYS 2125Ca 0.58 2.01 -0.22 0.00 -0.36 0.00 0.00 55.97 57.97 2nxh s LYS 2125Cb -0.27 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 2nxh s LYS 2125CO 0.24 -0.59 1.32 0.41 -0.36 0.00 0.00 175.35 176.38 2nxh n GLY 2126N 3.68 0.68 0.16 5.54 0.00 -1.24 -4.57 105.19 109.45 2nxh n GLY 2126Ca 0.13 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2nxh n GLY 2126CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2nxh h GLN 2127N 1.56 0.00 -0.02 1.61 7.50 -1.80 -1.47 115.11 122.49 2nxh h GLN 2127Ca -0.50 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.65 2nxh h GLN 2127Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.83 2nxh h GLN 2127CO 0.57 0.00 -0.07 1.97 -1.50 0.00 0.00 178.83 179.81 2nxh n PHE 2128N -2.30 0.00 -3.57 2.96 1.16 -1.26 -1.38 117.46 113.07 2nxh n PHE 2128Ca -0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 2nxh n PHE 2128Cb 0.10 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.91 2nxh n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nxh s LEU 2129N -1.88 4.42 0.38 5.98 2.96 -0.56 -5.07 118.68 124.91 2nxh s LEU 2129Ca 0.24 0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 54.81 2nxh s LEU 2129Cb 0.18 -2.46 -0.08 0.00 0.50 0.00 0.00 46.19 44.33 2nxh s LEU 2129CO 0.31 0.29 0.78 0.00 -1.32 0.00 0.00 176.35 176.41 2nxh s ALA 2130N -0.76 3.30 0.19 5.97 0.00 -1.26 -4.89 121.76 124.30 2nxh s ALA 2130Ca 0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.99 2nxh s ALA 2130Cb -0.15 -2.79 0.17 0.00 0.00 0.00 0.00 23.12 20.35 2nxh s ALA 2130CO 0.10 0.13 1.67 -1.35 0.00 0.00 0.00 175.76 176.30 2nxh h PRO 2131N 1.69 0.05 0.00 0.00 0.11 -1.98 0.58 132.00 132.45 2nxh h PRO 2131Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2nxh h PRO 2131Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2nxh h PRO 2131CO 0.64 0.04 0.00 -2.67 -0.21 0.00 0.00 178.00 175.80 2nxh n TRP 2132N -5.29 0.44 0.35 0.65 2.14 -1.26 -2.17 117.44 112.30 2nxh n TRP 2132Ca 0.05 0.19 0.14 0.00 2.07 0.00 0.00 57.50 59.95 2nxh n TRP 2132Cb 0.27 -0.80 0.50 0.00 -0.81 0.00 0.00 31.31 30.47 2nxh n TRP 2132CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2nxh h ASP 2133N 0.00 0.00 1.04 -0.67 3.32 -1.25 -3.13 116.42 115.72 2nxh h ASP 2133Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nxh h ASP 2133Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2nxh h ASP 2133CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 2nxh n THR 2134N -2.75 0.71 -0.08 0.35 -2.24 -0.92 -3.37 114.28 105.99 2nxh n THR 2134Ca 0.02 0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 2nxh n THR 2134Cb 0.35 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 67.67 2nxh n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2nxh h LYS 2135N 0.00 0.18 -0.09 -0.78 3.64 -1.76 -1.05 116.57 116.71 2nxh h LYS 2135Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2nxh h LYS 2135Cb 0.52 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2nxh h LYS 2135CO 0.00 0.12 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.33 2nxh h ASN 2136N 0.18 0.11 -0.29 4.20 -0.26 -1.81 -1.33 115.58 116.39 2nxh h ASN 2136Ca 0.13 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.82 2nxh h ASN 2136Cb 0.13 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 2nxh h ASN 2136CO -0.16 0.20 0.03 0.58 -1.06 0.00 0.00 177.43 177.01 2nxh h VAL 2137N 0.13 1.24 -0.72 2.81 2.07 -1.36 -1.78 116.25 118.63 2nxh h VAL 2137Ca 0.03 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 2nxh h VAL 2137Cb 0.19 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2nxh h VAL 2137CO 0.01 0.27 0.26 0.58 0.02 0.00 0.00 177.57 178.71 2nxh h VAL 2138N 0.30 1.25 -0.88 2.57 2.07 -0.68 -2.22 116.25 118.66 2nxh h VAL 2138Ca 0.09 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2nxh h VAL 2138Cb 0.37 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2nxh h VAL 2138CO 0.01 0.33 0.54 -0.08 0.02 0.00 0.00 177.57 178.39 2nxh h GLU 2139N 1.06 1.19 -0.60 1.57 4.81 -1.04 -0.17 114.58 121.39 2nxh h GLU 2139Ca 0.24 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2nxh h GLU 2139Cb 0.24 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2nxh h GLU 2139CO -0.01 0.82 0.19 0.87 -0.73 0.00 0.00 179.01 180.14 2nxh h LYS 2140N 1.21 0.93 -0.54 1.92 1.57 -0.91 -0.74 116.57 120.00 2nxh h LYS 2140Ca 0.32 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2nxh h LYS 2140Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2nxh h LYS 2140CO -0.06 0.83 0.18 -0.07 -0.57 0.00 0.00 179.45 179.76 2nxh h LEU 2141N 0.85 0.78 -0.67 2.94 3.38 -0.79 -0.77 115.31 121.03 2nxh h LEU 2141Ca 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2nxh h LEU 2141Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2nxh h LEU 2141CO -0.01 0.77 0.28 0.11 0.09 0.00 0.00 178.44 179.69 2nxh h LYS 2142N 0.75 0.99 -0.70 1.13 1.57 -0.88 0.03 116.57 119.46 2nxh h LYS 2142Ca 0.18 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2nxh h LYS 2142Cb 0.26 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2nxh h LYS 2142CO -0.01 0.81 0.46 0.35 -0.57 0.00 0.00 179.45 180.50 2nxh h PHE 2143N 0.94 0.81 0.00 -1.35 3.57 -0.73 -0.60 116.94 119.57 2nxh h PHE 2143Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2nxh h PHE 2143Cb 0.18 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.65 2nxh h PHE 2143CO 0.01 0.46 0.00 0.41 -2.23 0.00 0.00 178.31 176.97 2nxh n GLY 2144N -1.44 -1.05 0.00 2.40 0.00 -0.33 -4.88 105.19 99.90 2nxh n GLY 2144Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2nxh n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 2145N 1.01 0.85 3.75 -0.02 0.00 -0.23 -3.50 105.19 107.05 2nxh n GLY 2145Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2nxh n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh s ALA 2146N -2.00 3.40 -0.01 4.61 0.00 -0.11 -4.90 121.76 122.76 2nxh s ALA 2146Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 51.96 52.85 2nxh s ALA 2146Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2nxh s ALA 2146CO 0.00 -0.19 0.01 1.63 0.00 0.00 0.00 175.76 177.21 2nxh n LYS 2147N 1.60 2.39 -3.89 0.00 5.02 -1.26 -4.36 118.16 117.65 2nxh n LYS 2147Ca 0.00 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2nxh n LYS 2147Cb 0.45 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 34.31 2nxh n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nxh s GLU 2148N -2.04 1.94 -0.06 1.97 2.12 -1.26 -5.09 118.70 116.29 2nxh s GLU 2148Ca -0.00 -1.71 0.06 0.00 0.36 0.00 0.00 54.97 53.68 2nxh s GLU 2148Cb 0.00 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2nxh s GLU 2148CO 0.04 -0.92 -0.23 0.42 -0.54 0.00 0.00 175.26 174.03 2nxh s ILE 2149N 1.09 2.21 0.13 -3.70 1.01 -1.26 -1.05 121.20 119.62 2nxh s ILE 2149Ca 0.06 -1.02 0.08 0.00 0.00 0.00 0.00 60.65 59.77 2nxh s ILE 2149Cb -0.21 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 2nxh s ILE 2149CO -0.05 0.57 -0.18 -0.31 0.00 0.00 0.00 174.94 174.97 2nxh s TYR 2150N -0.25 1.70 -0.08 3.97 1.51 -0.17 -2.85 117.35 121.19 2nxh s TYR 2150Ca -0.01 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 2nxh s TYR 2150Cb -0.13 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.83 2nxh s TYR 2150CO 0.03 0.23 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.02 2nxh s LEU 2151N -2.24 1.82 -0.19 -1.29 1.43 -0.28 -1.76 118.68 116.16 2nxh s LEU 2151Ca 0.09 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2nxh s LEU 2151Cb -0.08 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2nxh s LEU 2151CO 0.05 0.08 -0.06 -0.89 0.23 0.00 0.00 176.35 175.76 2nxh s THR 2152N 0.54 3.38 -0.19 5.49 2.01 0.22 -0.78 115.64 126.30 2nxh s THR 2152Ca -0.16 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 2nxh s THR 2152Cb -0.17 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.84 2nxh s THR 2152CO 0.06 0.46 1.05 -0.70 -0.69 0.00 0.00 174.62 174.80 2nxh s GLU 2153N 1.06 4.30 -0.02 4.92 2.56 0.45 -0.83 118.70 131.14 2nxh s GLU 2153Ca 0.01 1.40 0.19 0.00 0.00 0.00 0.00 54.97 56.57 2nxh s GLU 2153Cb -0.15 -3.62 0.33 0.00 2.00 0.00 0.00 34.13 32.70 2nxh s GLU 2153CO -0.00 -0.55 1.14 2.89 -0.56 0.00 0.00 175.26 178.18 2nxh n ARG 2154N 5.96 0.14 0.00 4.30 -4.01 -1.26 -0.50 116.66 121.28 2nxh n ARG 2154Ca 0.11 -1.89 0.00 0.00 -1.04 0.00 0.00 57.85 55.03 2nxh n ARG 2154Cb 0.47 -0.26 0.00 0.00 -3.04 0.00 0.00 32.46 29.63 2nxh n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2nxh n GLY 2155N 0.23 1.51 3.13 2.89 0.00 -1.26 -3.76 105.19 107.93 2nxh n GLY 2155Ca 0.06 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 2nxh n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nxh s THR 2156N -2.89 1.12 0.02 2.61 2.01 -0.40 -4.31 115.64 113.81 2nxh s THR 2156Ca 0.00 -0.77 -0.35 0.00 0.31 0.00 0.00 61.69 60.88 2nxh s THR 2156Cb 0.00 -0.97 -0.13 0.00 0.01 0.00 0.00 72.50 71.41 2nxh s THR 2156CO 0.00 0.19 1.70 0.41 -0.69 0.00 0.00 174.62 176.23 2nxh n THR 2157N 2.39 0.27 -3.65 -0.82 -1.04 -0.48 -1.43 114.28 109.51 2nxh n THR 2157Ca -0.16 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.51 2nxh n THR 2157Cb 0.55 -1.61 -0.13 0.00 -1.82 0.00 0.00 70.33 67.32 2nxh n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nxh s PHE 2158N 2.38 1.61 0.00 -1.42 5.36 -0.52 -4.84 117.98 120.54 2nxh s PHE 2158Ca 0.86 -2.09 0.00 0.00 -0.96 0.00 0.00 56.93 54.75 2nxh s PHE 2158Cb -0.73 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 2nxh s PHE 2158CO 0.46 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.82 2nxh n GLY 2159N 3.93 -0.26 3.89 13.12 0.00 -1.26 -4.22 105.19 120.38 2nxh n GLY 2159Ca 0.07 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 2nxh n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nxh s TYR 2160N 0.00 3.59 -1.31 1.61 2.02 -1.26 -4.47 117.35 117.53 2nxh s TYR 2160Ca 0.00 0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 57.15 2nxh s TYR 2160Cb 0.00 -1.92 0.03 0.00 -0.40 0.00 0.00 41.96 39.67 2nxh s TYR 2160CO 0.00 0.69 0.31 0.09 -1.57 0.00 0.00 175.55 175.07 2nxh n ASN 2161N 1.53 -4.49 -3.74 2.29 3.02 -1.26 -4.96 115.26 107.65 2nxh n ASN 2161Ca -0.16 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.12 2nxh n ASN 2161Cb 0.54 -3.72 -0.09 0.00 -0.61 0.00 0.00 39.78 35.90 2nxh n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2nxh s ASN 2162N -2.43 -0.25 0.07 6.41 3.04 -1.26 -4.04 114.94 116.49 2nxh s ASN 2162Ca 0.21 0.22 0.06 0.00 0.04 0.00 0.00 52.86 53.39 2nxh s ASN 2162Cb -0.11 0.39 -0.03 0.00 -1.54 0.00 0.00 41.25 39.96 2nxh s ASN 2162CO 0.26 -0.42 -0.17 -0.76 -3.04 0.00 0.00 177.10 172.97 2nxh s LEU 2163N -1.12 2.25 0.01 3.21 1.43 -1.26 -1.44 118.68 121.74 2nxh s LEU 2163Ca -0.12 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 2nxh s LEU 2163Cb -0.05 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2nxh s LEU 2163CO 0.04 0.03 -0.17 0.54 0.23 0.00 0.00 176.35 177.02 2nxh s VAL 2164N -1.08 1.36 -0.30 -1.59 0.11 -0.52 -4.87 120.40 113.51 2nxh s VAL 2164Ca 0.03 -0.86 -0.13 0.00 -2.93 0.00 0.00 61.98 58.09 2nxh s VAL 2164Cb -0.09 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2nxh s VAL 2164CO 0.03 0.28 0.27 -0.69 -3.33 0.00 0.00 175.10 171.65 2nxh s VAL 2165N -0.55 5.25 -0.71 2.04 1.01 -1.26 -1.27 120.40 124.90 2nxh s VAL 2165Ca 0.06 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 2nxh s VAL 2165Cb -0.07 -3.65 0.17 0.00 0.00 0.00 0.00 36.38 32.83 2nxh s VAL 2165CO 0.00 0.12 0.70 -0.62 0.00 0.00 0.00 175.10 175.30 2nxh s ASP 2166N 1.72 6.50 0.00 3.32 2.15 -1.26 -4.91 116.67 124.20 2nxh s ASP 2166Ca 0.09 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 50.85 2nxh s ASP 2166Cb -0.16 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2nxh s ASP 2166CO 0.11 -0.76 0.92 0.49 -0.17 0.00 0.00 175.17 175.76 2nxh n PHE 2167N 4.82 0.00 0.30 -5.34 3.01 -1.26 -0.69 117.46 118.30 2nxh n PHE 2167Ca 0.03 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.68 2nxh n PHE 2167Cb 0.44 -0.42 0.86 0.00 -0.01 0.00 0.00 39.48 40.36 2nxh n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nxh h ARG 2168N 0.00 0.00 -0.01 -1.08 3.08 -2.04 -2.69 114.38 111.65 2nxh h ARG 2168Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2nxh h ARG 2168Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2nxh h ARG 2168CO 0.00 0.00 -0.36 0.66 -1.07 0.00 0.00 179.97 179.20 2nxh h SER 2169N 0.00 0.02 0.61 7.04 4.64 -1.33 -3.11 113.55 121.42 2nxh h SER 2169Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2nxh h SER 2169Cb 0.31 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2nxh h SER 2169CO 0.00 0.37 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.91 2nxh h LEU 2170N 0.02 -0.89 -1.38 5.97 4.07 -1.69 0.47 115.31 121.87 2nxh h LEU 2170Ca -0.00 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.94 2nxh h LEU 2170Cb 0.64 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2nxh h LEU 2170CO 0.05 -0.57 -0.27 1.55 -1.08 0.00 0.00 178.44 178.11 2nxh h PRO 2171N -0.91 0.05 0.27 1.13 0.13 -1.75 -1.68 132.00 129.25 2nxh h PRO 2171Ca -0.08 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2nxh h PRO 2171Cb 0.73 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2nxh h PRO 2171CO 0.09 0.33 -0.13 0.82 -0.23 0.00 0.00 178.00 178.87 2nxh h ILE 2172N 0.05 0.76 0.00 -3.56 2.04 -1.44 -3.20 117.51 112.16 2nxh h ILE 2172Ca 0.01 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 2nxh h ILE 2172Cb 0.51 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2nxh h ILE 2172CO 0.04 0.11 -0.25 0.24 0.00 0.00 0.00 178.15 178.29 2nxh h MET 2173N -0.67 0.00 0.00 2.37 2.86 -0.81 -2.22 114.93 116.46 2nxh h MET 2173Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2nxh h MET 2173Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2nxh h MET 2173CO 0.06 0.25 0.00 1.17 1.06 0.00 0.00 176.91 179.45 2nxh n LYS 2174N -3.89 0.08 0.22 1.72 3.00 -0.64 -1.98 118.16 116.67 2nxh n LYS 2174Ca -0.02 0.51 0.05 0.00 -0.00 0.00 0.00 58.31 58.86 2nxh n LYS 2174Cb 0.33 -1.73 0.50 0.00 0.00 0.00 0.00 35.03 34.14 2nxh n LYS 2174CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2nxh h GLN 2175N 0.00 0.00 0.00 1.64 4.20 -1.48 -3.31 115.11 116.17 2nxh h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nxh h GLN 2175Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2nxh h GLN 2175CO 0.00 0.19 0.00 -2.67 -0.67 0.00 0.00 178.83 175.68 2nxh n TRP 2176N -4.28 0.00 -3.64 2.96 2.14 -0.84 -5.10 117.44 108.68 2nxh n TRP 2176Ca -0.02 -0.25 0.01 0.00 2.07 0.00 0.00 57.50 59.31 2nxh n TRP 2176Cb 0.25 -0.02 -0.01 0.00 -0.81 0.00 0.00 31.31 30.72 2nxh n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2nxh s ALA 2177N -0.50 -2.16 0.39 -1.67 0.00 -1.14 -4.99 121.76 111.69 2nxh s ALA 2177Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 2nxh s ALA 2177Cb 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 2nxh s ALA 2177CO 0.00 -1.05 1.06 0.15 0.00 0.00 0.00 175.76 175.92 2nxh s LYS 2178N -2.55 4.20 -0.13 0.00 1.02 -1.13 -4.13 119.74 117.01 2nxh s LYS 2178Ca 0.14 1.56 0.01 0.00 0.02 0.00 0.00 55.97 57.69 2nxh s LYS 2178Cb 0.04 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2nxh s LYS 2178CO -0.03 -0.12 -0.15 0.08 -0.92 0.00 0.00 175.35 174.21 2nxh s VAL 2179N -1.60 2.78 -0.02 3.17 1.01 -1.26 -1.13 120.40 123.36 2nxh s VAL 2179Ca 0.57 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2nxh s VAL 2179Cb -0.23 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2nxh s VAL 2179CO 0.29 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 175.19 2nxh s ILE 2180N 0.50 3.38 -0.24 2.22 -1.09 0.04 0.01 121.20 126.02 2nxh s ILE 2180Ca -0.10 -0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 57.47 2nxh s ILE 2180Cb -0.16 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 2nxh s ILE 2180CO 0.04 0.47 0.08 -0.47 -1.23 0.00 0.00 174.94 173.83 2nxh s TYR 2181N -0.89 3.11 -0.76 3.97 5.04 0.01 -0.41 117.35 127.41 2nxh s TYR 2181Ca 0.15 -0.33 -0.23 0.00 -2.44 0.00 0.00 57.07 54.22 2nxh s TYR 2181Cb -0.11 -2.23 0.07 0.00 0.35 0.00 0.00 41.96 40.05 2nxh s TYR 2181CO 0.04 -0.29 1.10 0.34 -1.34 0.00 0.00 175.55 175.41 2nxh s ASP 2182N 1.48 6.29 0.50 4.32 -1.08 0.34 -0.23 116.67 128.29 2nxh s ASP 2182Ca 0.06 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 51.22 2nxh s ASP 2182Cb -0.15 -2.46 1.21 0.00 -1.46 0.00 0.00 42.92 40.07 2nxh s ASP 2182CO 0.04 -1.45 1.94 0.00 0.52 0.00 0.00 175.17 176.22 2nxh h ALA 2183N 9.53 1.06 0.07 3.66 0.00 -1.15 -3.09 119.26 129.35 2nxh h ALA 2183Ca -0.15 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.27 2nxh h ALA 2183Cb 1.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2nxh h ALA 2183CO 1.21 0.16 -2.17 0.25 0.00 0.00 0.00 179.25 178.70 2nxh n THR 2184N -3.33 1.66 0.14 0.00 -2.24 -1.26 -4.42 114.28 104.83 2nxh n THR 2184Ca -0.00 -0.60 0.03 0.00 -2.27 0.00 0.00 64.05 61.21 2nxh n THR 2184Cb 0.34 -1.63 0.05 0.00 -2.10 0.00 0.00 70.33 66.99 2nxh n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2nxh h HIS 2185N -0.01 0.00 0.00 4.78 3.86 -1.90 -3.25 115.15 118.63 2nxh h HIS 2185Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2nxh h HIS 2185Cb 1.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.42 2nxh h HIS 2185CO 0.06 0.50 0.00 0.77 0.86 0.00 0.00 177.93 180.12 2nxh h SER 2186N 0.00 0.00 -0.27 2.45 0.02 -1.63 -1.75 113.55 112.38 2nxh h SER 2186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nxh h SER 2186Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2nxh h SER 2186CO 0.06 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.08 2nxh n VAL 2187N -3.03 1.11 -1.57 2.27 0.24 -1.23 -4.68 118.33 111.44 2nxh n VAL 2187Ca -0.02 -1.09 -0.29 0.00 -2.04 0.00 0.00 64.34 60.90 2nxh n VAL 2187Cb 0.11 0.43 0.12 0.00 -1.47 0.00 0.00 33.84 33.02 2nxh n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nxh s GLN 2188N -1.17 1.50 -0.45 7.34 -2.07 -0.66 -1.82 119.66 122.33 2nxh s GLN 2188Ca 0.20 0.38 0.03 0.00 -1.82 0.00 0.00 55.36 54.15 2nxh s GLN 2188Cb 0.12 -1.87 0.12 0.00 -1.09 0.00 0.00 33.01 30.29 2nxh s GLN 2188CO 0.12 -1.97 0.20 -0.51 -1.32 0.00 0.00 175.29 171.81 2nxh s LEU 2189N -5.92 3.83 -0.40 2.60 1.43 -1.26 -4.41 118.68 114.55 2nxh s LEU 2189Ca 0.63 -2.65 -0.43 0.00 -1.03 0.00 0.00 54.13 50.65 2nxh s LEU 2189Cb -0.14 -1.43 -0.18 0.00 0.03 0.00 0.00 46.19 44.47 2nxh s LEU 2189CO 0.53 -0.28 1.73 -2.65 0.23 0.00 0.00 176.35 175.91 2nxh n PRO 2190N 3.57 0.54 -2.85 1.29 -0.02 -1.26 -4.64 135.00 131.62 2nxh n PRO 2190Ca 0.05 0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.54 2nxh n PRO 2190Cb 0.35 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2nxh n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nxh n GLY 2191N 4.46 -0.50 2.79 -1.23 0.00 -1.26 -4.11 105.19 105.35 2nxh n GLY 2191Ca 0.31 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 2nxh n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nxh n GLY 2199N -1.08 3.38 2.52 -0.02 0.00 -1.26 -5.02 105.19 103.71 2nxh n GLY 2199Ca -0.10 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.56 2nxh n GLY 2199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nxh s MET 2200N -3.30 0.55 0.52 1.61 -1.94 -0.75 -4.82 119.30 111.16 2nxh s MET 2200Ca 0.17 -1.21 0.31 0.00 -1.71 0.00 0.00 55.69 53.25 2nxh s MET 2200Cb 0.01 -1.18 1.44 0.00 2.01 0.00 0.00 34.83 37.11 2nxh s MET 2200CO 0.12 -1.20 1.85 -0.09 -0.01 0.00 0.00 175.02 175.69 2nxh h ARG 2201N 7.07 0.07 -0.05 2.03 2.43 -1.88 -1.02 114.38 123.02 2nxh h ARG 2201Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2nxh h ARG 2201Cb 0.99 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2nxh h ARG 2201CO 0.25 0.04 0.23 1.05 -1.51 0.00 0.00 179.97 180.04 2nxh h GLU 2202N 0.07 0.00 -0.01 0.20 4.11 -1.94 -1.25 114.58 115.75 2nxh h GLU 2202Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 2nxh h GLU 2202Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2nxh h GLU 2202CO -0.05 0.00 -0.47 1.19 0.07 0.00 0.00 179.01 179.75 2nxh n PHE 2203N -3.13 0.00 0.17 2.06 3.72 -0.39 -4.64 117.46 115.25 2nxh n PHE 2203Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 2nxh n PHE 2203Cb 0.30 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.77 2nxh n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nxh h ILE 2204N 1.90 0.27 0.26 4.37 2.04 -1.34 -2.69 117.51 122.32 2nxh h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2nxh h ILE 2204Cb 0.64 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2nxh h ILE 2204CO 0.00 0.00 -0.12 0.15 0.00 0.00 0.00 178.15 178.18 2nxh h PHE 2205N -0.65 -0.32 -0.64 1.37 -0.00 -1.82 -2.22 116.94 112.65 2nxh h PHE 2205Ca 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 57.97 58.10 2nxh h PHE 2205Cb 0.63 0.11 -0.11 0.00 -0.00 0.00 0.00 35.95 36.58 2nxh h PHE 2205CO -0.26 -0.13 0.02 -1.35 -0.00 0.00 0.00 178.31 176.59 2nxh h PRO 2206N -0.44 0.13 0.00 6.41 0.11 -1.83 -0.31 132.00 136.08 2nxh h PRO 2206Ca -0.04 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2nxh h PRO 2206Cb 0.34 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2nxh h PRO 2206CO 0.06 0.09 -0.46 -0.07 -0.21 0.00 0.00 178.00 177.40 2nxh h LEU 2207N 0.13 0.00 -0.75 2.35 3.38 -1.44 -1.63 115.31 117.35 2nxh h LEU 2207Ca 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 2nxh h LEU 2207Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2nxh h LEU 2207CO -0.54 0.46 0.15 0.40 0.09 0.00 0.00 178.44 179.01 2nxh h ILE 2208N 0.00 1.26 -0.47 1.22 2.04 -0.46 -0.11 117.51 120.99 2nxh h ILE 2208Ca -0.00 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2nxh h ILE 2208Cb 0.85 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2nxh h ILE 2208CO 0.06 0.37 0.21 0.03 0.00 0.00 0.00 178.15 178.82 2nxh h ARG 2209N 1.04 0.69 0.22 2.37 3.08 -0.70 -2.16 114.38 118.93 2nxh h ARG 2209Ca 0.22 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2nxh h ARG 2209Cb 0.38 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2nxh h ARG 2209CO 0.00 0.61 -0.33 0.00 -1.07 0.00 0.00 179.97 179.19 2nxh h ALA 2210N 1.05 -0.63 -0.79 0.04 0.00 -0.83 -0.79 119.26 117.32 2nxh h ALA 2210Ca 0.16 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2nxh h ALA 2210Cb 0.16 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2nxh h ALA 2210CO -0.02 -0.90 0.35 0.00 0.00 0.00 0.00 179.25 178.69 2nxh h ALA 2211N -0.03 1.14 -0.07 0.00 0.00 -0.83 0.35 119.26 119.82 2nxh h ALA 2211Ca 0.01 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2nxh h ALA 2211Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2nxh h ALA 2211CO -0.13 -0.17 -0.80 -0.39 0.00 0.00 0.00 179.25 177.76 2nxh h VAL 2212N 0.51 1.37 -0.66 0.00 -1.51 -1.16 0.52 116.25 115.33 2nxh h VAL 2212Ca 0.43 -2.20 -0.06 0.00 -1.23 0.00 0.00 66.70 63.64 2nxh h VAL 2212Cb 0.63 2.18 -0.03 0.00 -2.13 0.00 0.00 31.29 31.95 2nxh h VAL 2212CO -0.39 0.67 0.17 0.00 -1.23 0.00 0.00 177.57 176.80 2nxh h ALA 2213N 0.81 1.07 -0.13 5.19 0.00 -0.31 -2.83 119.26 123.06 2nxh h ALA 2213Ca -0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2nxh h ALA 2213Cb 1.41 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2nxh h ALA 2213CO 0.14 0.62 -0.21 0.28 0.00 0.00 0.00 179.25 180.08 2nxh h VAL 2214N 0.98 1.37 0.00 0.00 2.07 -0.90 -3.47 116.25 116.30 2nxh h VAL 2214Ca 0.21 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2nxh h VAL 2214Cb 0.32 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2nxh h VAL 2214CO -0.00 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.62 2nxh n GLY 2215N 0.37 2.62 3.40 2.17 0.00 0.17 -4.86 105.19 109.06 2nxh n GLY 2215Ca -0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2nxh n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nxh n ASP 2217N -0.29 1.92 0.00 0.00 8.00 0.10 -4.99 116.55 121.29 2nxh n ASP 2217Ca -0.03 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.97 2nxh n ASP 2217Cb 0.63 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 2nxh n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nxh n GLY 2218N 1.31 0.64 3.06 0.44 0.00 -1.11 -2.07 105.19 107.46 2nxh n GLY 2218Ca 0.14 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2nxh n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nxh s VAL 2219N -2.00 1.21 -0.20 1.61 1.01 -0.23 -0.81 120.40 120.99 2nxh s VAL 2219Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2nxh s VAL 2219Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2nxh s VAL 2219CO 0.00 0.37 0.03 0.12 0.00 0.00 0.00 175.10 175.61 2nxh s PHE 2220N 0.45 3.09 -0.14 5.22 2.19 0.69 -1.37 117.98 128.11 2nxh s PHE 2220Ca -0.11 -0.33 -0.07 0.00 0.33 0.00 0.00 56.93 56.75 2nxh s PHE 2220Cb -0.14 -2.11 0.06 0.00 -1.31 0.00 0.00 43.02 39.52 2nxh s PHE 2220CO 0.03 -0.17 0.33 0.00 1.83 0.00 0.00 175.22 177.24 2nxh s MET 2221N 0.97 0.29 0.31 10.12 0.23 0.18 -0.60 119.30 130.79 2nxh s MET 2221Ca 0.02 0.69 -0.15 0.00 -1.03 0.00 0.00 55.69 55.22 2nxh s MET 2221Cb -0.14 -0.05 -0.09 0.00 -1.53 0.00 0.00 34.83 33.02 2nxh s MET 2221CO 0.02 -0.18 0.73 -1.21 -2.03 0.00 0.00 175.02 172.36 2nxh s GLU 2222N 1.50 4.01 0.11 3.16 2.02 -1.26 -3.44 118.70 124.80 2nxh s GLU 2222Ca -0.08 0.67 -0.02 0.00 0.02 0.00 0.00 54.97 55.56 2nxh s GLU 2222Cb -0.10 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 2nxh s GLU 2222CO -0.11 0.17 0.07 -0.08 0.02 0.00 0.00 175.26 175.34 2nxh s THR 2223N -1.95 0.13 -0.17 3.63 -1.32 -0.34 -1.97 115.64 113.65 2nxh s THR 2223Ca 0.53 -1.77 -0.28 0.00 -1.21 0.00 0.00 61.69 58.96 2nxh s THR 2223Cb -0.11 -1.83 0.09 0.00 -1.51 0.00 0.00 72.50 69.15 2nxh s THR 2223CO 0.18 -0.60 0.82 -2.28 -2.21 0.00 0.00 174.62 170.52 2nxh s HIS 2224N -3.99 -0.60 0.48 9.09 5.04 -0.63 -3.28 115.29 121.40 2nxh s HIS 2224Ca 0.17 1.24 0.17 0.00 -1.54 0.00 0.00 55.06 55.11 2nxh s HIS 2224Cb 0.07 0.37 1.19 0.00 0.04 0.00 0.00 32.58 34.25 2nxh s HIS 2224CO -0.03 -0.42 2.06 -1.35 -2.34 0.00 0.00 174.74 172.66 2nxh h PRO 2225N 3.65 0.00 -2.11 2.88 0.11 -1.95 -1.87 132.00 132.71 2nxh h PRO 2225Ca -0.26 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.37 2nxh h PRO 2225Cb 1.16 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.93 2nxh h PRO 2225CO 0.23 0.11 -0.83 -1.21 -0.21 0.00 0.00 178.00 176.10 2nxh s GLU 2226N -4.71 0.81 0.30 1.05 2.02 -1.26 -4.64 118.70 112.28 2nxh s GLU 2226Ca -0.04 -1.57 0.05 0.00 0.02 0.00 0.00 54.97 53.43 2nxh s GLU 2226Cb 0.16 -1.05 0.80 0.00 0.10 0.00 0.00 34.13 34.14 2nxh s GLU 2226CO 0.67 -1.31 1.66 -1.35 0.02 0.00 0.00 175.26 174.94 2nxh h PRO 2227N 6.06 0.27 -0.48 0.39 0.11 -1.86 0.11 132.00 136.60 2nxh h PRO 2227Ca 0.16 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.36 2nxh h PRO 2227Cb 0.98 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 2nxh h PRO 2227CO 0.26 0.18 0.33 1.05 -0.21 0.00 0.00 178.00 179.61 2nxh h GLU 2228N 0.27 0.19 -0.00 1.05 9.09 -1.93 -1.94 114.58 121.32 2nxh h GLU 2228Ca 0.60 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 60.00 2nxh h GLU 2228Cb 1.24 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2nxh h GLU 2228CO -0.62 0.13 -0.45 1.63 0.05 0.00 0.00 179.01 179.74 2nxh n LYS 2229N -4.45 0.18 -1.62 1.06 5.02 0.37 -4.96 118.16 113.77 2nxh n LYS 2229Ca 0.08 -0.11 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 2nxh n LYS 2229Cb 0.41 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 2nxh n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nxh n ALA 2230N -1.31 0.12 1.81 7.82 0.00 -0.73 -4.86 120.51 123.36 2nxh n ALA 2230Ca 0.07 0.39 0.11 0.00 0.00 0.00 0.00 53.44 54.01 2nxh n ALA 2230Cb 0.34 -2.08 0.57 0.00 0.00 0.00 0.00 19.45 18.28 2nxh n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nxh n LEU 2231N 1.21 0.42 -3.63 0.00 4.77 -1.26 -4.45 117.00 114.07 2nxh n LEU 2231Ca 0.09 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 2nxh n LEU 2231Cb 0.32 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2nxh n LEU 2231CO 0.61 0.08 0.44 -0.55 -1.33 0.00 0.00 177.39 176.64 2nxh s SER 2232N -1.66 -0.74 -1.24 -1.43 0.15 -1.26 -4.47 113.70 103.06 2nxh s SER 2232Ca 0.32 1.41 -0.03 0.00 0.70 0.00 0.00 55.95 58.35 2nxh s SER 2232Cb 0.15 1.42 0.02 0.00 -1.71 0.00 0.00 66.02 65.90 2nxh s SER 2232CO 0.25 -0.24 0.18 0.47 1.20 0.00 0.00 173.24 175.10 2nxh n ASP 2233N 2.73 -4.33 -0.23 5.45 8.00 -1.26 -4.86 116.55 122.06 2nxh n ASP 2233Ca -0.14 -0.01 0.03 0.00 0.71 0.00 0.00 54.79 55.37 2nxh n ASP 2233Cb 0.55 -3.62 0.13 0.00 -0.02 0.00 0.00 41.12 38.17 2nxh n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nxh h ALA 2234N 0.99 0.72 0.00 2.24 0.00 -1.81 -0.96 119.26 120.44 2nxh h ALA 2234Ca -0.37 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nxh h ALA 2234Cb 1.27 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2nxh h ALA 2234CO 0.44 -0.39 0.00 -0.35 0.00 0.00 0.00 179.25 178.95 2nxh n PRO 2235N -5.28 0.24 0.00 0.00 -0.04 -1.26 -3.07 135.00 125.59 2nxh n PRO 2235Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2nxh n PRO 2235Cb 0.41 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 2nxh n PRO 2235CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2nxh n THR 2236N -0.53 0.00 -1.76 0.52 -2.24 -0.38 -3.94 114.28 105.95 2nxh n THR 2236Ca 0.00 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 2nxh n THR 2236Cb 0.00 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 2nxh n THR 2236CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nxh n ALA 2237N -0.51 1.96 -2.73 6.98 0.00 -1.16 -4.89 120.51 120.15 2nxh n ALA 2237Ca 0.00 0.23 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 2nxh n ALA 2237Cb 0.00 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 16.99 2nxh n ALA 2237CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nxh s LEU 2238N -2.80 4.26 0.18 0.00 2.96 -0.83 -4.77 118.68 117.69 2nxh s LEU 2238Ca 0.63 0.42 -0.33 0.00 -0.22 0.00 0.00 54.13 54.63 2nxh s LEU 2238Cb -0.44 -2.24 -0.15 0.00 0.50 0.00 0.00 46.19 43.86 2nxh s LEU 2238CO 0.56 0.18 1.37 -2.65 -1.32 0.00 0.00 176.35 174.49 2nxh n PRO 2239N 3.26 1.71 -0.24 0.98 -0.02 -1.26 -1.60 135.00 137.84 2nxh n PRO 2239Ca -0.15 0.61 0.22 0.00 -2.02 0.00 0.00 63.50 62.16 2nxh n PRO 2239Cb 0.52 -2.25 0.55 0.00 -0.02 0.00 0.00 33.50 32.31 2nxh n PRO 2239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2nxh h LEU 2240N 4.40 0.33 -0.00 2.45 6.46 -1.60 -0.53 115.31 126.82 2nxh h LEU 2240Ca -0.45 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.35 2nxh h LEU 2240Cb 1.30 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2nxh h LEU 2240CO 0.77 0.12 0.00 -1.54 -0.62 0.00 0.00 178.44 177.17 2nxh n SER 2241N -4.48 0.01 0.02 1.25 3.41 -1.26 -3.26 113.62 109.30 2nxh n SER 2241Ca 0.20 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 2nxh n SER 2241Cb 0.78 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 64.28 2nxh n SER 2241CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nxh n GLN 2242N -1.51 0.20 -0.12 4.33 6.02 -0.21 -4.48 117.38 121.61 2nxh n GLN 2242Ca 0.05 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.99 2nxh n GLN 2242Cb 0.23 -1.57 0.03 0.00 1.02 0.00 0.00 30.24 29.96 2nxh n GLN 2242CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2nxh h LEU 2243N 0.00 -0.06 -0.12 1.08 4.07 -1.66 -2.95 115.31 115.67 2nxh h LEU 2243Ca 0.00 0.08 0.05 0.00 0.08 0.00 0.00 57.88 58.08 2nxh h LEU 2243Cb 0.66 0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.46 2nxh h LEU 2243CO 0.00 0.00 -0.28 -0.08 -1.08 0.00 0.00 178.44 177.01 2nxh h GLU 2244N 0.17 -0.34 -0.77 1.13 4.81 -1.83 0.49 114.58 118.24 2nxh h GLU 2244Ca 0.20 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 2nxh h GLU 2244Cb 0.26 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2nxh h GLU 2244CO -0.29 -0.23 0.47 0.78 -0.73 0.00 0.00 179.01 179.02 2nxh h GLY 2245N -0.35 1.13 1.04 1.92 0.00 -1.83 -0.46 103.07 104.52 2nxh h GLY 2245Ca 0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2nxh h GLY 2245CO -0.32 0.26 0.03 -2.22 0.00 0.00 0.00 176.54 174.28 2nxh h ILE 2246N 0.89 1.26 -0.76 2.60 2.04 -1.27 -0.66 117.51 121.61 2nxh h ILE 2246Ca 0.32 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2nxh h ILE 2246Cb 0.11 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2nxh h ILE 2246CO -0.15 0.39 0.24 0.40 0.00 0.00 0.00 178.15 179.04 2nxh h ILE 2247N 0.88 1.26 -0.49 -0.67 2.04 -0.35 -0.58 117.51 119.60 2nxh h ILE 2247Ca 0.16 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 2nxh h ILE 2247Cb 0.51 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2nxh h ILE 2247CO 0.02 0.36 -0.02 -0.08 0.00 0.00 0.00 178.15 178.43 2nxh h GLU 2248N 1.12 0.84 -0.45 2.37 4.57 -0.85 -2.19 114.58 119.99 2nxh h GLU 2248Ca 0.24 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 2nxh h GLU 2248Cb 0.30 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2nxh h GLU 2248CO -0.01 0.85 -0.10 0.00 -1.18 0.00 0.00 179.01 178.57 2nxh h ALA 2249N 1.20 0.62 -0.68 2.92 0.00 -0.52 -2.39 119.26 120.41 2nxh h ALA 2249Ca 0.14 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2nxh h ALA 2249Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2nxh h ALA 2249CO 0.03 0.51 0.16 -0.84 0.00 0.00 0.00 179.25 179.11 2nxh h ILE 2250N 0.71 1.26 -0.45 0.00 3.07 -0.91 -1.35 117.51 119.83 2nxh h ILE 2250Ca 0.12 -0.96 -0.08 0.00 1.55 0.00 0.00 64.86 65.48 2nxh h ILE 2250Cb 0.65 0.56 -0.02 0.00 -0.27 0.00 0.00 36.82 37.73 2nxh h ILE 2250CO 0.04 0.37 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.38 2nxh h LEU 2251N 1.03 0.76 0.24 0.16 3.38 -1.30 0.11 115.31 119.69 2nxh h LEU 2251Ca 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2nxh h LEU 2251Cb 0.36 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2nxh h LEU 2251CO 0.00 0.86 -0.11 -0.33 0.09 0.00 0.00 178.44 178.95 2nxh h GLU 2252N 0.72 -0.31 -0.87 1.13 5.08 -1.20 -1.86 114.58 117.27 2nxh h GLU 2252Ca 0.13 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2nxh h GLU 2252Cb 0.52 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 2nxh h GLU 2252CO 0.03 0.05 0.54 0.82 -1.00 0.00 0.00 179.01 179.45 2nxh h ILE 2253N -0.75 1.06 -0.40 3.13 2.04 -1.21 -2.14 117.51 119.23 2nxh h ILE 2253Ca -0.03 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2nxh h ILE 2253Cb 0.50 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2nxh h ILE 2253CO 0.05 0.18 0.26 -0.09 0.00 0.00 0.00 178.15 178.56 2nxh h ARG 2254N 1.00 0.53 -0.49 2.37 2.43 -0.77 -0.69 114.38 118.75 2nxh h ARG 2254Ca 0.37 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.58 2nxh h ARG 2254Cb 0.14 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2nxh h ARG 2254CO -0.16 0.36 0.15 1.49 -1.51 0.00 0.00 179.97 180.29 2nxh h GLU 2255N 0.54 0.30 0.00 0.20 4.81 -0.69 0.39 114.58 120.12 2nxh h GLU 2255Ca 0.15 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2nxh h GLU 2255Cb -0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2nxh h GLU 2255CO -0.03 0.20 -0.39 0.28 -0.73 0.00 0.00 179.01 178.33 2nxh h VAL 2256N 0.31 0.75 0.01 0.32 2.07 -1.23 -3.34 116.25 115.13 2nxh h VAL 2256Ca 0.24 -1.80 -0.33 0.00 0.82 0.00 0.00 66.70 65.63 2nxh h VAL 2256Cb 0.29 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 2nxh h VAL 2256CO -0.27 0.39 -2.02 0.00 0.02 0.00 0.00 177.57 175.68 2nxh n ALA 2257N -2.23 1.44 0.02 1.67 0.00 -0.29 -4.21 120.51 116.91 2nxh n ALA 2257Ca 0.01 -0.97 0.22 0.00 0.00 0.00 0.00 53.44 52.70 2nxh n ALA 2257Cb 0.62 -0.56 0.60 0.00 0.00 0.00 0.00 19.45 20.12 2nxh n ALA 2257CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nxh h SER 2258N 0.01 0.00 0.43 0.00 4.64 -0.37 0.51 113.55 118.77 2nxh h SER 2258Ca -0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2nxh h SER 2258Cb 2.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.18 2nxh h SER 2258CO 0.05 0.00 -0.07 0.50 -0.87 0.00 0.00 176.83 176.44 2nxh h LYS 2259N 0.00 0.00 -0.03 4.77 3.64 -1.77 -3.06 116.57 120.12 2nxh h LYS 2259Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2nxh h LYS 2259Cb 1.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 2nxh h LYS 2259CO -0.00 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 2nxh n TYR 2260N -3.41 0.02 -1.68 1.91 4.02 0.18 -5.01 117.16 113.19 2nxh n TYR 2260Ca -0.02 -0.04 -0.47 0.00 -0.01 0.00 0.00 57.90 57.37 2nxh n TYR 2260Cb 0.22 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.49 2nxh n TYR 2260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2nxh n TYR 2261N 0.41 2.37 -1.93 -0.72 4.01 -1.16 -4.90 117.16 115.23 2nxh n TYR 2261Ca 0.05 -0.05 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2nxh n TYR 2261Cb 0.21 -2.68 0.01 0.00 -0.31 0.00 0.00 39.34 36.57 2nxh n TYR 2261CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2nxh s GLU 2262N 3.85 3.62 -0.16 -0.72 8.01 -1.26 -4.88 118.70 127.17 2nxh s GLU 2262Ca 0.91 2.20 -0.29 0.00 0.01 0.00 0.00 54.97 57.80 2nxh s GLU 2262Cb -0.64 -2.54 -0.05 0.00 -4.31 0.00 0.00 34.13 26.58 2nxh s GLU 2262CO 0.49 -0.79 2.00 0.99 0.01 0.00 0.00 175.26 177.95 2nxh s THR 2263N -1.29 3.18 0.00 3.63 2.01 -1.26 -5.15 115.64 116.76 2nxh s THR 2263Ca 0.63 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2nxh s THR 2263Cb -0.39 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 68.92 2nxh s THR 2263CO 0.49 -0.09 0.00 0.00 -0.69 0.00 0.00 174.62 174.32