#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdj n HIS 2002N 0.00 0.00 1.00 0.00 -0.00 -1.26 -3.19 115.22 111.78 1fdj n HIS 2002Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1fdj n HIS 2002Cb 0.00 -0.43 0.30 0.00 -0.00 0.00 0.00 29.99 29.86 1fdj n HIS 2002CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1fdj n ARG 2003N -1.43 1.85 -3.34 -1.40 1.74 -1.26 -4.40 116.66 108.42 1fdj n ARG 2003Ca 0.06 -1.29 -0.26 0.00 -0.77 0.00 0.00 57.85 55.59 1fdj n ARG 2003Cb 0.19 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 30.18 1fdj n ARG 2003CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1fdj n PHE 2004N 0.52 2.31 -1.98 -1.55 3.01 -1.19 -5.09 117.46 113.48 1fdj n PHE 2004Ca 0.15 -3.96 -0.41 0.00 1.01 0.00 0.00 57.45 54.25 1fdj n PHE 2004Cb 0.35 -0.49 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1fdj n PHE 2004CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1fdj s PRO 2005N -2.07 4.25 0.02 -1.08 0.02 -1.26 -4.94 135.00 129.94 1fdj s PRO 2005Ca 0.38 2.35 -0.21 0.00 0.02 0.00 0.00 61.00 63.54 1fdj s PRO 2005Cb 0.16 -3.07 -0.16 0.00 0.02 0.00 0.00 34.50 31.45 1fdj s PRO 2005CO -0.05 -0.40 1.30 0.00 -0.33 0.00 0.00 177.00 177.52 1fdj h ALA 2006N 4.31 0.17 -2.46 -1.55 0.00 -1.98 -3.46 119.26 114.29 1fdj h ALA 2006Ca -0.48 -0.34 -0.62 0.00 0.00 0.00 0.00 54.91 53.48 1fdj h ALA 2006Cb 1.22 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1fdj h ALA 2006CO 0.73 0.07 -0.77 -0.51 0.00 0.00 0.00 179.25 178.77 1fdj s LEU 2007N -9.03 2.60 0.37 0.00 1.43 -1.26 -4.99 118.68 107.80 1fdj s LEU 2007Ca -0.14 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1fdj s LEU 2007Cb 0.04 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 1fdj s LEU 2007CO 0.75 0.06 0.53 0.42 0.23 0.00 0.00 176.35 178.34 1fdj s THR 2008N -2.28 4.15 0.41 5.49 -4.23 -1.26 -4.91 115.64 113.00 1fdj s THR 2008Ca 0.28 -0.82 0.15 0.00 -1.18 0.00 0.00 61.69 60.12 1fdj s THR 2008Cb -0.06 -3.47 0.36 0.00 1.34 0.00 0.00 72.50 70.66 1fdj s THR 2008CO 0.14 -0.23 1.89 -0.65 -0.54 0.00 0.00 174.62 175.22 1fdj h PRO 2009N 0.74 0.46 0.15 3.99 0.11 -2.01 -1.04 132.00 134.40 1fdj h PRO 2009Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1fdj h PRO 2009Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1fdj h PRO 2009CO 0.55 0.31 -0.07 1.49 -0.21 0.00 0.00 178.00 180.06 1fdj h GLU 2010N 0.48 -0.19 -0.82 1.05 4.57 -2.00 -2.37 114.58 115.30 1fdj h GLU 2010Ca 0.42 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.64 1fdj h GLU 2010Cb 0.92 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.51 1fdj h GLU 2010CO -0.16 0.12 0.53 1.96 -1.18 0.00 0.00 179.01 180.29 1fdj h GLN 2011N -0.52 1.02 -0.21 1.92 4.20 -1.75 -2.60 115.11 117.18 1fdj h GLN 2011Ca -0.02 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1fdj h GLN 2011Cb 0.40 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1fdj h GLN 2011CO 0.03 0.68 0.08 0.87 -0.67 0.00 0.00 178.83 179.82 1fdj h LYS 2012N 1.05 0.18 -0.16 1.46 1.57 -1.20 -2.46 116.57 117.01 1fdj h LYS 2012Ca 0.32 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1fdj h LYS 2012Cb -0.04 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.16 1fdj h LYS 2012CO -0.10 0.12 -0.38 -0.22 -0.57 0.00 0.00 179.45 178.30 1fdj h LYS 2013N 0.18 -0.42 -0.56 3.15 3.64 -1.05 0.49 116.57 122.01 1fdj h LYS 2013Ca 0.09 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1fdj h LYS 2013Cb 0.05 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1fdj h LYS 2013CO -0.09 -0.28 0.30 1.49 -2.27 0.00 0.00 179.45 178.60 1fdj h GLU 2014N -0.43 0.56 -0.77 1.90 4.81 -1.42 0.40 114.58 119.62 1fdj h GLU 2014Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1fdj h GLU 2014Cb 0.59 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1fdj h GLU 2014CO -0.40 0.37 0.44 -0.07 -0.73 0.00 0.00 179.01 178.62 1fdj h LEU 2015N 0.57 0.94 -0.47 1.64 4.07 -0.93 -1.60 115.31 119.53 1fdj h LEU 2015Ca 0.25 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 58.05 1fdj h LEU 2015Cb 0.14 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1fdj h LEU 2015CO -0.16 0.74 -0.07 0.28 -1.08 0.00 0.00 178.44 178.15 1fdj h SER 2016N 1.07 0.87 -0.39 -0.43 0.02 0.28 -2.83 113.55 112.13 1fdj h SER 2016Ca 0.27 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1fdj h SER 2016Cb -0.01 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1fdj h SER 2016CO -0.05 1.01 0.10 0.44 -1.14 0.00 0.00 176.83 177.19 1fdj h ASP 2017N 0.72 0.59 0.11 3.07 3.45 -0.57 -2.46 116.42 121.32 1fdj h ASP 2017Ca 0.12 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1fdj h ASP 2017Cb 0.60 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1fdj h ASP 2017CO 0.04 0.66 -0.05 0.40 -1.57 0.00 0.00 179.24 178.72 1fdj h ILE 2018N 0.49 0.96 -0.17 0.35 2.04 -1.33 -0.95 117.51 118.90 1fdj h ILE 2018Ca 0.12 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1fdj h ILE 2018Cb 0.30 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1fdj h ILE 2018CO 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 178.15 178.18 1fdj h ALA 2019N 0.63 0.12 -0.41 1.87 0.00 -1.53 -2.13 119.26 117.81 1fdj h ALA 2019Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1fdj h ALA 2019Cb 0.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1fdj h ALA 2019CO 0.02 -0.47 -0.05 1.96 0.00 0.00 0.00 179.25 180.72 1fdj h GLN 2020N 0.02 0.68 -0.72 0.00 4.20 -1.44 -3.04 115.11 114.82 1fdj h GLN 2020Ca 0.08 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1fdj h GLN 2020Cb 0.12 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1fdj h GLN 2020CO -0.16 0.73 0.45 -0.09 -0.67 0.00 0.00 178.83 179.09 1fdj h ARG 2021N 0.64 0.96 -0.40 1.46 2.43 -0.66 -1.64 114.38 117.17 1fdj h ARG 2021Ca 0.12 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1fdj h ARG 2021Cb 0.47 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1fdj h ARG 2021CO 0.02 0.66 0.16 0.82 -1.51 0.00 0.00 179.97 180.13 1fdj h ILE 2022N 0.97 1.19 -0.10 1.20 2.04 -1.28 -3.20 117.51 118.33 1fdj h ILE 2022Ca 0.26 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1fdj h ILE 2022Cb -0.07 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1fdj h ILE 2022CO -0.05 0.22 0.00 1.33 0.00 0.00 0.00 178.15 179.64 1fdj n VAL 2023N -4.65 0.11 -1.66 1.67 0.24 -1.19 -4.04 118.33 108.80 1fdj n VAL 2023Ca -0.00 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 1fdj n VAL 2023Cb 0.14 1.00 0.07 0.00 -1.47 0.00 0.00 33.84 33.58 1fdj n VAL 2023CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fdj n ALA 2024N 0.93 0.70 -1.46 2.33 0.00 -0.62 -3.28 120.51 119.12 1fdj n ALA 2024Ca 0.17 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1fdj n ALA 2024Cb 0.50 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1fdj n ALA 2024CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fdj n ASN 2025N -1.51 -3.80 0.00 0.00 3.02 -1.26 -1.65 115.26 110.07 1fdj n ASN 2025Ca 0.15 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1fdj n ASN 2025Cb 0.48 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 1fdj n ASN 2025CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fdj n GLY 2026N -0.29 0.72 3.77 7.41 0.00 -1.20 -5.03 105.19 110.56 1fdj n GLY 2026Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1fdj n GLY 2026CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdj s LYS 2027N -0.66 3.35 0.00 1.61 1.02 -0.66 -4.64 119.74 119.76 1fdj s LYS 2027Ca 0.00 1.74 0.00 0.00 0.02 0.00 0.00 55.97 57.73 1fdj s LYS 2027Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1fdj s LYS 2027CO 0.00 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 173.96 1fdj n GLY 2028N 0.34 6.17 3.29 -3.33 0.00 0.15 -4.41 105.19 107.40 1fdj n GLY 2028Ca 0.11 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 1fdj n GLY 2028CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fdj s ILE 2029N 0.03 1.88 -0.28 -0.61 1.01 0.26 -0.35 121.20 123.15 1fdj s ILE 2029Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 60.65 59.33 1fdj s ILE 2029Cb 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1fdj s ILE 2029CO 0.00 0.37 0.27 -0.22 0.00 0.00 0.00 174.94 175.36 1fdj s LEU 2030N -0.99 4.04 -0.79 2.97 2.96 -0.17 -2.26 118.68 124.44 1fdj s LEU 2030Ca 0.09 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 53.95 1fdj s LEU 2030Cb -0.09 -2.25 0.16 0.00 0.50 0.00 0.00 46.19 44.51 1fdj s LEU 2030CO 0.01 -0.11 0.84 0.00 -1.32 0.00 0.00 176.35 175.77 1fdj s ALA 2031N 1.89 3.72 -0.22 5.97 0.00 0.09 -0.88 121.76 132.33 1fdj s ALA 2031Ca 0.10 -2.89 0.14 0.00 0.00 0.00 0.00 51.96 49.31 1fdj s ALA 2031Cb -0.16 -3.66 0.49 0.00 0.00 0.00 0.00 23.12 19.79 1fdj s ALA 2031CO 0.11 -2.48 1.40 0.00 0.00 0.00 0.00 175.76 174.79 1fdj n ALA 2032N 5.27 3.44 0.29 0.00 0.00 -1.00 -4.13 120.51 124.39 1fdj n ALA 2032Ca 0.10 -2.71 -0.07 0.00 0.00 0.00 0.00 53.44 50.77 1fdj n ALA 2032Cb 0.46 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.28 1fdj n ALA 2032CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fdj n ASP 2033N -0.89 3.49 -4.75 0.00 5.68 -1.05 -4.37 116.55 114.66 1fdj n ASP 2033Ca 0.25 -2.46 -0.41 0.00 -0.50 0.00 0.00 54.79 51.67 1fdj n ASP 2033Cb 0.91 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 40.23 1fdj n ASP 2033CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1fdj s GLU 2034N -0.89 4.21 0.76 0.11 8.01 -1.26 -4.67 118.70 124.97 1fdj s GLU 2034Ca 0.15 2.41 -0.11 0.00 0.01 0.00 0.00 54.97 57.43 1fdj s GLU 2034Cb 0.13 -3.08 0.04 0.00 -4.31 0.00 0.00 34.13 26.91 1fdj s GLU 2034CO 0.03 -0.51 1.08 -1.54 0.01 0.00 0.00 175.26 174.33 1fdj s SER 2035N 0.45 4.88 0.41 -0.19 1.04 -1.26 -4.67 113.70 114.36 1fdj s SER 2035Ca 0.61 1.38 0.13 0.00 0.48 0.00 0.00 55.95 58.55 1fdj s SER 2035Cb -0.44 -2.16 0.98 0.00 0.10 0.00 0.00 66.02 64.49 1fdj s SER 2035CO 0.44 -1.73 1.93 -0.37 0.98 0.00 0.00 173.24 174.50 1fdj h VAL 2036N -0.92 0.86 -0.15 5.02 -1.51 -1.98 0.80 116.25 118.37 1fdj h VAL 2036Ca -0.46 -0.17 -0.16 0.00 -1.23 0.00 0.00 66.70 64.68 1fdj h VAL 2036Cb 1.25 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1fdj h VAL 2036CO 0.59 0.09 -0.60 1.23 -1.23 0.00 0.00 177.57 177.66 1fdj h GLY 2037N 0.49 0.53 1.64 5.19 0.00 -1.99 -0.94 103.07 107.99 1fdj h GLY 2037Ca 0.35 -0.65 -0.26 0.00 0.00 0.00 0.00 47.33 46.77 1fdj h GLY 2037CO -0.12 0.58 -1.24 -0.84 0.00 0.00 0.00 176.54 174.92 1fdj h THR 2038N 0.36 1.47 -0.19 4.70 2.02 -1.42 -3.31 112.91 116.54 1fdj h THR 2038Ca -0.00 -3.11 -0.14 0.00 0.77 0.00 0.00 66.41 63.92 1fdj h THR 2038Cb 1.14 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 70.40 1fdj h THR 2038CO 0.11 0.89 -0.48 -0.03 0.37 0.00 0.00 175.52 176.38 1fdj h MET 2039N 0.05 0.50 0.00 6.66 4.05 0.62 -2.95 114.93 123.86 1fdj h MET 2039Ca -0.12 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.00 1fdj h MET 2039Cb 1.92 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.74 1fdj h MET 2039CO 0.17 0.87 -0.06 0.78 0.23 0.00 0.00 176.91 178.90 1fdj h GLY 2040N 1.11 0.00 1.55 1.39 0.00 -1.26 -1.53 103.07 104.34 1fdj h GLY 2040Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 1fdj h GLY 2040CO 0.09 0.00 -1.08 -0.57 0.00 0.00 0.00 176.54 174.98 1fdj h ASN 2041N 0.00 0.52 0.01 0.19 -0.73 -1.60 -2.28 115.58 111.69 1fdj h ASN 2041Ca -0.00 -0.47 -0.00 0.00 1.87 0.00 0.00 56.30 57.70 1fdj h ASN 2041Cb 0.23 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1fdj h ASN 2041CO 0.01 1.30 -0.01 0.03 -0.37 0.00 0.00 177.43 178.40 1fdj h ARG 2042N 0.17 -0.02 -0.20 6.67 2.47 -1.35 -3.22 114.38 118.91 1fdj h ARG 2042Ca -0.11 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.55 1fdj h ARG 2042Cb 1.75 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.06 1fdj h ARG 2042CO 0.18 0.50 -0.13 -0.07 0.56 0.00 0.00 179.97 181.01 1fdj h LEU 2043N -0.54 0.31 -0.49 3.04 3.38 -1.46 -3.01 115.31 116.55 1fdj h LEU 2043Ca -0.00 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1fdj h LEU 2043Cb 0.52 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1fdj h LEU 2043CO 0.00 0.48 0.28 -0.61 0.09 0.00 0.00 178.44 178.68 1fdj h GLN 2044N 0.31 0.54 0.00 1.13 4.15 -1.45 -0.23 115.11 119.56 1fdj h GLN 2044Ca 0.06 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1fdj h GLN 2044Cb 0.43 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1fdj h GLN 2044CO 0.02 0.36 -0.04 0.00 -1.93 0.00 0.00 178.83 177.25 1fdj h ARG 2045N 0.56 0.00 -0.66 1.69 3.08 -1.54 -0.49 114.38 117.02 1fdj h ARG 2045Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1fdj h ARG 2045Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1fdj h ARG 2045CO -0.10 0.04 0.00 0.44 -1.07 0.00 0.00 179.97 179.27 1fdj n ILE 2046N -4.20 1.89 -2.99 2.04 -5.35 -0.83 -4.95 119.36 104.97 1fdj n ILE 2046Ca -0.03 -1.21 -0.20 0.00 -0.27 0.00 0.00 62.75 61.04 1fdj n ILE 2046Cb 0.12 0.11 0.04 0.00 -1.74 0.00 0.00 39.64 38.17 1fdj n ILE 2046CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1fdj n LYS 2047N 1.15 -4.68 -4.99 6.28 4.01 -0.19 -4.78 118.16 114.97 1fdj n LYS 2047Ca 0.26 0.82 -0.32 0.00 -0.51 0.00 0.00 58.31 58.56 1fdj n LYS 2047Cb 0.92 -5.50 -0.15 0.00 -0.51 0.00 0.00 35.03 29.79 1fdj n LYS 2047CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1fdj s VAL 2048N -3.13 2.69 0.33 -0.18 1.01 -0.16 -5.02 120.40 115.95 1fdj s VAL 2048Ca 0.30 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1fdj s VAL 2048Cb -0.13 -2.06 -0.11 0.00 0.00 0.00 0.00 36.38 34.08 1fdj s VAL 2048CO 0.37 0.56 1.42 -1.61 0.00 0.00 0.00 175.10 175.84 1fdj s GLU 2049N -0.16 4.23 -1.26 2.72 0.41 -1.26 -3.75 118.70 119.64 1fdj s GLU 2049Ca -0.02 2.39 -0.17 0.00 -0.41 0.00 0.00 54.97 56.76 1fdj s GLU 2049Cb -0.14 -3.04 0.09 0.00 -1.78 0.00 0.00 34.13 29.27 1fdj s GLU 2049CO 0.04 -0.39 1.64 1.21 -0.49 0.00 0.00 175.26 177.26 1fdj s ASN 2050N -0.14 6.88 0.25 -0.19 2.47 -1.26 -4.75 114.94 118.19 1fdj s ASN 2050Ca 0.53 -2.52 0.10 0.00 0.42 0.00 0.00 52.86 51.38 1fdj s ASN 2050Cb -0.43 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 36.79 1fdj s ASN 2050CO 0.55 -1.08 -0.03 -0.94 -3.72 0.00 0.00 177.10 171.87 1fdj s SER 2051N 3.92 4.43 0.52 -4.21 1.04 -1.26 -5.01 113.70 113.12 1fdj s SER 2051Ca 0.50 -0.65 0.20 0.00 0.48 0.00 0.00 55.95 56.48 1fdj s SER 2051Cb 0.02 -0.79 1.31 0.00 0.10 0.00 0.00 66.02 66.66 1fdj s SER 2051CO 0.05 0.02 2.09 -0.08 0.98 0.00 0.00 173.24 176.30 1fdj h GLU 2052N 2.12 0.01 -0.10 4.02 4.81 -2.00 -2.38 114.58 121.06 1fdj h GLU 2052Ca -0.44 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 1fdj h GLU 2052Cb 1.24 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1fdj h GLU 2052CO 0.59 0.01 -0.15 0.93 -0.73 0.00 0.00 179.01 179.66 1fdj h GLU 2053N 0.01 0.27 -0.89 1.92 4.39 -1.95 -1.84 114.58 116.49 1fdj h GLU 2053Ca 0.10 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1fdj h GLU 2053Cb 0.40 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 1fdj h GLU 2053CO -0.00 0.74 0.46 -0.91 -1.16 0.00 0.00 179.01 178.14 1fdj h ASN 2054N -0.17 1.13 -0.44 1.42 2.35 -1.75 0.31 115.58 118.43 1fdj h ASN 2054Ca 0.01 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1fdj h ASN 2054Cb 0.71 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1fdj h ASN 2054CO 0.03 0.92 0.19 0.03 -1.65 0.00 0.00 177.43 176.95 1fdj h ARG 2055N 1.25 0.65 -0.46 0.81 3.08 -1.46 -2.23 114.38 116.03 1fdj h ARG 2055Ca 0.31 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1fdj h ARG 2055Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1fdj h ARG 2055CO -0.05 0.58 0.16 -0.09 -1.07 0.00 0.00 179.97 179.50 1fdj h ARG 2056N 0.57 0.70 0.21 0.04 2.43 -0.79 -2.37 114.38 115.18 1fdj h ARG 2056Ca 0.15 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1fdj h ARG 2056Cb 0.17 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1fdj h ARG 2056CO -0.01 0.66 -0.25 1.96 -1.51 0.00 0.00 179.97 180.81 1fdj h GLN 2057N 0.60 -0.50 0.03 0.20 4.20 -0.21 0.51 115.11 119.94 1fdj h GLN 2057Ca 0.15 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1fdj h GLN 2057Cb 0.24 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1fdj h GLN 2057CO -0.01 -0.33 -0.10 0.35 -0.67 0.00 0.00 178.83 178.07 1fdj h PHE 2058N -0.52 -0.24 0.00 2.96 3.04 -1.40 -1.14 116.94 119.63 1fdj h PHE 2058Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1fdj h PHE 2058Cb 0.50 0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1fdj h PHE 2058CO -0.19 -0.15 0.00 0.00 -2.02 0.00 0.00 178.31 175.95 1fdj h ARG 2059N -0.18 0.00 0.07 1.11 3.08 -1.27 -1.15 114.38 116.04 1fdj h ARG 2059Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.93 1fdj h ARG 2059Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1fdj h ARG 2059CO -0.07 0.00 -0.60 1.49 -1.07 0.00 0.00 179.97 179.72 1fdj h GLU 2060N 0.00 0.28 -0.60 0.04 4.81 0.27 -2.65 114.58 116.73 1fdj h GLU 2060Ca 0.00 -0.40 0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1fdj h GLU 2060Cb 0.15 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1fdj h GLU 2060CO 0.00 1.14 0.28 0.82 -0.73 0.00 0.00 179.01 180.51 1fdj h ILE 2061N -0.38 0.86 -0.23 2.32 2.04 -0.19 -1.35 117.51 120.58 1fdj h ILE 2061Ca -0.09 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1fdj h ILE 2061Cb 1.40 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1fdj h ILE 2061CO 0.11 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 1fdj h LEU 2062N 0.50 0.40 -0.66 1.44 3.38 -1.51 -3.16 115.31 115.71 1fdj h LEU 2062Ca 0.29 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fdj h LEU 2062Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1fdj h LEU 2062CO -0.24 0.61 0.00 -0.26 0.09 0.00 0.00 178.44 178.64 1fdj h PHE 2063N 0.18 0.00 -0.65 1.13 0.04 -1.11 -3.22 116.94 113.31 1fdj h PHE 2063Ca 0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1fdj h PHE 2063Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.55 1fdj h PHE 2063CO 0.03 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.99 1fdj n THR 2064N -2.39 1.95 -0.90 -1.55 -2.24 -0.54 -4.74 114.28 103.87 1fdj n THR 2064Ca 0.03 -1.23 -0.29 0.00 -2.27 0.00 0.00 64.05 60.29 1fdj n THR 2064Cb 0.29 0.08 0.23 0.00 -2.10 0.00 0.00 70.33 68.83 1fdj n THR 2064CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1fdj s VAL 2065N -1.96 1.77 0.58 2.28 -7.23 -1.22 -4.96 120.40 109.66 1fdj s VAL 2065Ca 0.52 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.49 1fdj s VAL 2065Cb 0.34 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 1fdj s VAL 2065CO 0.24 0.00 1.14 0.47 -0.31 0.00 0.00 175.10 176.64 1fdj n ASP 2066N -4.74 1.57 0.30 4.85 10.43 -1.26 -4.86 116.55 122.85 1fdj n ASP 2066Ca 0.08 0.88 0.17 0.00 2.57 0.00 0.00 54.79 58.48 1fdj n ASP 2066Cb 0.58 -1.47 0.84 0.00 1.84 0.00 0.00 41.12 42.91 1fdj n ASP 2066CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1fdj h ASN 2067N 0.84 0.00 -0.48 -2.24 4.21 -1.98 -2.65 115.58 113.27 1fdj h ASN 2067Ca -0.49 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.12 1fdj h ASN 2067Cb 1.34 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.52 1fdj h ASN 2067CO 0.53 0.00 0.33 0.77 -1.29 0.00 0.00 177.43 177.77 1fdj h SER 2068N 0.00 0.18 0.00 5.81 4.64 -1.97 -2.39 113.55 119.81 1fdj h SER 2068Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1fdj h SER 2068Cb 0.67 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1fdj h SER 2068CO -0.00 0.11 0.36 0.16 -0.87 0.00 0.00 176.83 176.59 1fdj h ILE 2069N 0.20 0.00 0.00 0.95 -0.00 -1.84 0.24 117.51 117.06 1fdj h ILE 2069Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.08 1fdj h ILE 2069Cb 0.63 0.49 0.00 0.00 -0.00 0.00 0.00 36.82 37.94 1fdj h ILE 2069CO -0.04 0.00 0.00 -0.46 -0.00 0.00 0.00 178.15 177.65 1fdj n ASN 2070N -2.57 0.00 0.00 2.16 2.04 -0.90 -0.21 115.26 115.79 1fdj n ASN 2070Ca -0.01 -0.11 0.11 0.00 -0.44 0.00 0.00 54.58 54.12 1fdj n ASN 2070Cb 0.39 -0.17 -0.00 0.00 -2.53 0.00 0.00 39.78 37.47 1fdj n ASN 2070CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1fdj n GLN 2071N -1.17 0.08 -0.02 -3.83 6.02 0.83 -4.53 117.38 114.75 1fdj n GLN 2071Ca 0.08 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 57.02 1fdj n GLN 2071Cb 0.08 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 1fdj n GLN 2071CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1fdj n SER 2072N -1.61 2.35 -4.53 1.08 7.64 -0.16 -4.66 113.62 113.74 1fdj n SER 2072Ca 0.04 0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 1fdj n SER 2072Cb 0.36 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 1fdj n SER 2072CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1fdj s ILE 2073N -2.09 4.27 -0.40 0.44 -1.09 0.71 -0.68 121.20 122.36 1fdj s ILE 2073Ca -0.06 -0.21 0.17 0.00 -2.23 0.00 0.00 60.65 58.31 1fdj s ILE 2073Cb 0.02 -2.92 -0.22 0.00 -1.58 0.00 0.00 42.46 37.76 1fdj s ILE 2073CO 0.10 0.45 0.54 0.61 -1.23 0.00 0.00 174.94 175.40 1fdj n GLY 2074N 3.88 -0.66 3.39 6.18 0.00 0.52 -4.40 105.19 114.11 1fdj n GLY 2074Ca -0.17 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1fdj n GLY 2074CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fdj s GLY 2075N -3.25 -0.42 -0.06 -0.02 0.00 -1.14 -1.94 107.32 100.49 1fdj s GLY 2075Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 44.72 45.38 1fdj s GLY 2075CO 0.69 0.35 -0.09 0.14 0.00 0.00 0.00 173.10 174.19 1fdj s VAL 2076N -2.23 0.88 -0.23 1.40 1.01 -0.47 -1.00 120.40 119.76 1fdj s VAL 2076Ca -0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1fdj s VAL 2076Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1fdj s VAL 2076CO 0.00 0.30 0.41 -0.63 0.00 0.00 0.00 175.10 175.19 1fdj s ILE 2077N 0.86 5.17 0.25 2.22 1.01 -0.06 0.07 121.20 130.72 1fdj s ILE 2077Ca -0.11 0.70 0.07 0.00 0.00 0.00 0.00 60.65 61.31 1fdj s ILE 2077Cb -0.15 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1fdj s ILE 2077CO 0.01 0.19 0.21 -0.76 0.00 0.00 0.00 174.94 174.59 1fdj s LEU 2078N 1.72 3.86 -0.01 2.97 1.43 0.16 -2.36 118.68 126.45 1fdj s LEU 2078Ca 0.18 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1fdj s LEU 2078Cb -0.15 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1fdj s LEU 2078CO 0.09 -0.04 0.23 0.12 0.23 0.00 0.00 176.35 176.98 1fdj s PHE 2079N -2.10 3.57 0.22 0.29 2.19 -1.26 -1.83 117.98 119.05 1fdj s PHE 2079Ca 0.33 0.49 -0.13 0.00 0.33 0.00 0.00 56.93 57.95 1fdj s PHE 2079Cb -0.08 -1.92 0.28 0.00 -1.31 0.00 0.00 43.02 39.99 1fdj s PHE 2079CO 0.25 0.63 1.38 1.58 1.83 0.00 0.00 175.22 180.90 1fdj n HIS 2080N 1.11 0.13 -0.16 10.12 -0.00 -1.26 -1.64 115.22 123.52 1fdj n HIS 2080Ca -0.12 1.09 -0.09 0.00 -0.00 0.00 0.00 57.72 58.60 1fdj n HIS 2080Cb 0.53 -0.90 -0.04 0.00 -0.00 0.00 0.00 29.99 29.58 1fdj n HIS 2080CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1fdj h GLU 2081N 0.00 -0.28 0.00 1.57 4.81 -1.98 -1.87 114.58 116.83 1fdj h GLU 2081Ca 0.35 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1fdj h GLU 2081Cb 0.57 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1fdj h GLU 2081CO -0.89 -0.18 -0.02 1.15 -0.73 0.00 0.00 179.01 178.33 1fdj h THR 2082N -0.29 0.10 0.00 0.32 2.02 -1.72 -2.82 112.91 110.53 1fdj h THR 2082Ca 0.15 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1fdj h THR 2082Cb 0.57 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1fdj h THR 2082CO -0.62 0.02 0.00 -0.11 0.37 0.00 0.00 175.52 175.18 1fdj n LEU 2083N -3.19 0.30 -0.04 2.58 -0.00 -0.70 -2.93 117.00 113.01 1fdj n LEU 2083Ca -0.02 0.57 0.02 0.00 -0.00 0.00 0.00 56.01 56.58 1fdj n LEU 2083Cb 0.18 -0.52 0.03 0.00 -0.00 0.00 0.00 43.42 43.10 1fdj n LEU 2083CO 0.24 -0.35 0.46 -1.22 -0.00 0.00 0.00 177.39 176.52 1fdj n TYR 2084N -1.82 0.00 -2.65 1.96 4.01 -1.06 -4.72 117.16 112.88 1fdj n TYR 2084Ca 0.03 -0.49 -0.25 0.00 -0.16 0.00 0.00 57.90 57.03 1fdj n TYR 2084Cb 0.22 -0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 1fdj n TYR 2084CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1fdj s GLN 2085N -1.14 3.03 0.13 -0.72 -0.21 -1.15 -4.97 119.66 114.62 1fdj s GLN 2085Ca 0.06 -0.18 0.05 0.00 0.02 0.00 0.00 55.36 55.31 1fdj s GLN 2085Cb 0.05 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.63 1fdj s GLN 2085CO 0.01 -0.49 -0.13 0.15 -2.12 0.00 0.00 175.29 172.71 1fdj s LYS 2086N -4.80 1.04 0.39 2.91 1.02 -1.26 -1.56 119.74 117.48 1fdj s LYS 2086Ca 0.51 -1.31 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 1fdj s LYS 2086Cb -0.10 -0.81 0.09 0.00 -0.52 0.00 0.00 37.83 36.49 1fdj s LYS 2086CO 0.42 0.14 0.48 -0.40 -0.92 0.00 0.00 175.35 175.07 1fdj n ASP 2087N 0.28 -0.30 0.00 2.83 3.85 -0.11 -4.87 116.55 118.24 1fdj n ASP 2087Ca -0.14 -1.08 0.03 0.00 -0.71 0.00 0.00 54.79 52.89 1fdj n ASP 2087Cb 0.58 -0.38 0.14 0.00 -1.35 0.00 0.00 41.12 40.11 1fdj n ASP 2087CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1fdj n SER 2088N -3.41 0.00 -0.60 -1.12 7.64 -1.26 -2.32 113.62 112.55 1fdj n SER 2088Ca 0.06 -0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.00 1fdj n SER 2088Cb 0.22 -0.12 0.16 0.00 -1.01 0.00 0.00 64.21 63.46 1fdj n SER 2088CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdj n GLN 2089N -1.12 1.25 -1.13 1.43 3.00 -1.26 -4.99 117.38 114.55 1fdj n GLN 2089Ca 0.03 -2.89 -0.05 0.00 -0.01 0.00 0.00 57.00 54.09 1fdj n GLN 2089Cb 0.03 -1.34 -0.02 0.00 0.00 0.00 0.00 30.24 28.91 1fdj n GLN 2089CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fdj n GLY 2090N -0.93 0.61 3.74 1.08 0.00 -0.98 -5.00 105.19 103.72 1fdj n GLY 2090Ca 0.16 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1fdj n GLY 2090CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fdj s LYS 2091N -1.90 4.17 0.20 1.61 2.20 -1.26 -4.86 119.74 119.90 1fdj s LYS 2091Ca 0.00 0.01 -0.32 0.00 -0.36 0.00 0.00 55.97 55.31 1fdj s LYS 2091Cb 0.00 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.81 1fdj s LYS 2091CO 0.00 0.31 1.66 -0.51 -0.36 0.00 0.00 175.35 176.45 1fdj s LEU 2092N 0.28 4.37 0.21 5.43 1.43 -1.26 -0.94 118.68 128.20 1fdj s LEU 2092Ca 0.14 2.80 -0.09 0.00 -1.03 0.00 0.00 54.13 55.95 1fdj s LEU 2092Cb -0.13 -3.60 0.32 0.00 0.03 0.00 0.00 46.19 42.81 1fdj s LEU 2092CO 0.03 -0.92 1.72 -0.26 0.23 0.00 0.00 176.35 177.15 1fdj h PHE 2093N 6.57 0.31 -0.21 0.29 0.04 -1.59 -0.87 116.94 121.49 1fdj h PHE 2093Ca -0.43 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 1fdj h PHE 2093Cb 1.20 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 1fdj h PHE 2093CO 0.64 0.03 0.12 0.07 -0.60 0.00 0.00 178.31 178.56 1fdj h ARG 2094N 0.34 0.28 -0.03 1.51 0.11 -1.84 -1.42 114.38 113.32 1fdj h ARG 2094Ca 0.33 -0.02 -0.19 0.00 0.10 0.00 0.00 59.98 60.20 1fdj h ARG 2094Cb 0.47 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1fdj h ARG 2094CO -0.37 0.20 -0.79 -0.91 0.10 0.00 0.00 179.97 178.19 1fdj h ASN 2095N 0.28 0.34 0.24 0.08 2.35 -1.56 -0.93 115.58 116.38 1fdj h ASN 2095Ca 0.08 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1fdj h ASN 2095Cb -0.00 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1fdj h ASN 2095CO -0.01 1.00 -0.11 0.40 -1.65 0.00 0.00 177.43 177.06 1fdj h ILE 2096N 0.18 0.83 -0.70 2.81 2.04 -0.73 -1.71 117.51 120.22 1fdj h ILE 2096Ca -0.04 -0.46 0.10 0.00 1.00 0.00 0.00 64.86 65.47 1fdj h ILE 2096Cb 1.39 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 1fdj h ILE 2096CO 0.13 0.10 0.32 -0.07 0.00 0.00 0.00 178.15 178.63 1fdj h LEU 2097N -0.55 0.40 -0.86 1.44 3.38 -1.25 -2.18 115.31 115.69 1fdj h LEU 2097Ca -0.03 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1fdj h LEU 2097Cb 0.41 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1fdj h LEU 2097CO 0.05 0.22 0.35 0.11 0.09 0.00 0.00 178.44 179.27 1fdj h LYS 2098N 0.55 1.19 0.00 1.13 1.57 -1.05 -1.04 116.57 118.91 1fdj h LYS 2098Ca 0.35 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1fdj h LYS 2098Cb 0.40 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1fdj h LYS 2098CO -0.29 0.94 -0.16 0.93 -0.57 0.00 0.00 179.45 180.29 1fdj h GLU 2099N 1.17 0.00 -0.00 3.15 5.08 -0.69 -0.45 114.58 122.83 1fdj h GLU 2099Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1fdj h GLU 2099Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1fdj h GLU 2099CO -0.03 0.16 -0.05 1.63 -1.00 0.00 0.00 179.01 179.73 1fdj n LYS 2100N -3.41 0.96 -1.07 2.33 5.02 -0.95 -4.90 118.16 116.14 1fdj n LYS 2100Ca -0.00 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1fdj n LYS 2100Cb 0.35 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1fdj n LYS 2100CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fdj n GLY 2101N 1.18 0.38 3.82 0.72 0.00 -0.18 -4.72 105.19 106.39 1fdj n GLY 2101Ca 0.18 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1fdj n GLY 2101CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fdj s ILE 2102N -2.00 5.21 0.02 -0.61 1.01 -0.43 -4.98 121.20 119.41 1fdj s ILE 2102Ca 0.00 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.03 1fdj s ILE 2102Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1fdj s ILE 2102CO 0.00 0.53 0.79 -0.69 0.00 0.00 0.00 174.94 175.58 1fdj s VAL 2103N -0.63 4.80 -0.02 2.92 1.01 -0.82 -3.90 120.40 123.76 1fdj s VAL 2103Ca 0.20 1.68 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1fdj s VAL 2103Cb -0.15 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1fdj s VAL 2103CO 0.09 0.31 0.48 -0.69 0.00 0.00 0.00 175.10 175.29 1fdj s VAL 2104N 0.26 5.01 0.27 2.92 1.01 -1.26 -1.37 120.40 127.24 1fdj s VAL 2104Ca 0.41 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.42 1fdj s VAL 2104Cb -0.20 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1fdj s VAL 2104CO 0.23 0.48 -0.01 -0.83 0.00 0.00 0.00 175.10 174.97 1fdj s GLY 2105N -0.49 1.79 0.00 4.51 0.00 0.11 -0.90 107.32 112.34 1fdj s GLY 2105Ca 0.26 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1fdj s GLY 2105CO 0.14 -1.77 -0.01 -1.50 0.00 0.00 0.00 173.10 169.95 1fdj s ILE 2106N -3.22 0.09 -0.19 0.90 1.10 -0.04 0.39 121.20 120.23 1fdj s ILE 2106Ca 0.31 -0.22 -0.29 0.00 -0.51 0.00 0.00 60.65 59.93 1fdj s ILE 2106Cb 0.06 -0.12 -0.00 0.00 0.15 0.00 0.00 42.46 42.55 1fdj s ILE 2106CO 0.12 -0.08 1.09 -0.75 -2.11 0.00 0.00 174.94 173.20 1fdj s LYS 2107N -0.32 4.29 -0.01 3.50 2.20 -0.76 -1.16 119.74 127.47 1fdj s LYS 2107Ca -0.03 1.44 0.16 0.00 -0.36 0.00 0.00 55.97 57.19 1fdj s LYS 2107Cb -0.02 -3.64 -0.21 0.00 -1.51 0.00 0.00 37.83 32.44 1fdj s LYS 2107CO -0.00 -0.58 0.54 1.28 -0.36 0.00 0.00 175.35 176.23 1fdj n LEU 2108N 6.09 0.42 -4.84 5.43 4.77 -0.11 -4.78 117.00 123.98 1fdj n LEU 2108Ca 0.12 -0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.50 1fdj n LEU 2108Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1fdj n LEU 2108CO 0.53 0.11 0.63 1.51 -1.33 0.00 0.00 177.39 178.83 1fdj s ASP 2109N -3.14 6.67 -0.37 -1.43 -4.77 -1.23 -4.80 116.67 107.60 1fdj s ASP 2109Ca 0.01 1.52 0.06 0.00 -3.30 0.00 0.00 52.55 50.83 1fdj s ASP 2109Cb 0.11 -2.48 0.47 0.00 -1.09 0.00 0.00 42.92 39.93 1fdj s ASP 2109CO 0.68 -0.50 1.44 0.00 0.70 0.00 0.00 175.17 177.48 1fdj n GLN 2110N -1.31 2.87 0.00 2.11 6.02 0.49 -4.98 117.38 122.57 1fdj n GLN 2110Ca 0.06 -3.70 0.00 0.00 -0.01 0.00 0.00 57.00 53.35 1fdj n GLN 2110Cb 0.54 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.67 1fdj n GLN 2110CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fdj n GLY 2111N -0.88 -0.78 3.92 1.08 0.00 -1.26 -4.66 105.19 102.61 1fdj n GLY 2111Ca 0.44 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1fdj n GLY 2111CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fdj s GLY 2112N -3.01 1.58 -0.03 -0.02 0.00 -1.26 -1.13 107.32 103.44 1fdj s GLY 2112Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1fdj s GLY 2112CO 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 173.10 172.73 1fdj s ALA 2113N -2.90 -0.02 0.45 3.20 0.00 0.79 -4.83 121.76 118.44 1fdj s ALA 2113Ca 0.52 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.60 1fdj s ALA 2113Cb -0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.67 1fdj s ALA 2113CO 0.45 -0.11 1.27 -1.25 0.00 0.00 0.00 175.76 176.12 1fdj s PRO 2114N 0.95 3.74 -0.33 0.00 0.04 -1.26 -0.50 135.00 137.64 1fdj s PRO 2114Ca -0.08 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 1fdj s PRO 2114Cb -0.11 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1fdj s PRO 2114CO -0.03 -0.64 0.14 -0.51 0.04 0.00 0.00 177.00 176.00 1fdj s LEU 2115N -2.82 4.28 0.35 -3.56 1.43 -0.55 -4.83 118.68 112.98 1fdj s LEU 2115Ca 0.62 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1fdj s LEU 2115Cb -0.36 -1.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.81 1fdj s LEU 2115CO 0.44 -0.28 1.33 0.00 0.23 0.00 0.00 176.35 178.07 1fdj s ALA 2116N 1.53 3.46 0.00 4.21 0.00 -1.26 -3.23 121.76 126.47 1fdj s ALA 2116Ca 0.02 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1fdj s ALA 2116Cb -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1fdj s ALA 2116CO 0.05 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1fdj n GLY 2117N 0.72 0.64 3.54 0.00 0.00 -1.26 -5.06 105.19 103.78 1fdj n GLY 2117Ca 0.01 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1fdj n GLY 2117CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fdj s THR 2118N -2.00 1.06 -1.04 2.61 -4.23 -1.20 -5.07 115.64 105.78 1fdj s THR 2118Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1fdj s THR 2118Cb 0.00 -2.55 0.21 0.00 1.34 0.00 0.00 72.50 71.50 1fdj s THR 2118CO 0.00 0.00 1.11 0.21 -0.54 0.00 0.00 174.62 175.40 1fdj s ASN 2119N -3.62 7.01 -1.55 3.99 2.47 -1.26 -4.62 114.94 117.36 1fdj s ASN 2119Ca 0.27 -2.97 -0.14 0.00 0.42 0.00 0.00 52.86 50.44 1fdj s ASN 2119Cb 0.05 -2.29 0.09 0.00 -1.45 0.00 0.00 41.25 37.66 1fdj s ASN 2119CO 0.13 -0.60 0.94 0.29 -3.72 0.00 0.00 177.10 174.15 1fdj n LYS 2120N 4.37 -5.16 -3.83 0.43 5.02 -1.26 -4.96 118.16 112.77 1fdj n LYS 2120Ca 0.25 0.56 -0.26 0.00 -2.02 0.00 0.00 58.31 56.84 1fdj n LYS 2120Cb 0.44 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.00 1fdj n LYS 2120CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1fdj s GLU 2121N -6.65 3.47 0.27 1.97 2.02 -1.26 -5.02 118.70 113.50 1fdj s GLU 2121Ca 0.65 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 55.14 1fdj s GLU 2121Cb -0.33 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1fdj s GLU 2121CO 0.84 0.44 0.13 0.95 0.02 0.00 0.00 175.26 177.65 1fdj s THR 2122N -1.86 0.38 0.28 3.63 -4.23 -1.26 -1.48 115.64 111.10 1fdj s THR 2122Ca 0.36 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1fdj s THR 2122Cb -0.11 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.11 1fdj s THR 2122CO 0.29 0.00 0.06 0.28 -0.54 0.00 0.00 174.62 174.72 1fdj s THR 2123N -3.75 0.90 0.03 3.99 -1.32 0.35 -4.86 115.64 110.98 1fdj s THR 2123Ca 0.37 -2.01 0.03 0.00 -1.21 0.00 0.00 61.69 58.88 1fdj s THR 2123Cb 0.07 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.37 1fdj s THR 2123CO 0.15 -0.06 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.86 1fdj s ILE 2124N -3.51 3.99 0.22 5.08 -1.09 -1.26 -0.15 121.20 124.48 1fdj s ILE 2124Ca 0.36 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 58.05 1fdj s ILE 2124Cb 0.08 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 1fdj s ILE 2124CO 0.14 0.29 0.26 -1.10 -1.23 0.00 0.00 174.94 173.29 1fdj s GLN 2125N -1.79 3.18 0.00 2.79 -0.21 -0.29 -4.85 119.66 118.49 1fdj s GLN 2125Ca 0.21 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1fdj s GLN 2125Cb -0.11 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.14 1fdj s GLN 2125CO 0.12 0.44 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 1fdj n GLY 2126N -1.05 -0.81 0.15 3.09 0.00 -1.26 -0.38 105.19 104.94 1fdj n GLY 2126Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1fdj n GLY 2126CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fdj h LEU 2127N 0.00 0.37 -9.26 0.99 4.07 -1.91 -3.40 115.31 106.18 1fdj h LEU 2127Ca 0.00 -0.27 -0.56 0.00 0.08 0.00 0.00 57.88 57.13 1fdj h LEU 2127Cb 0.00 -0.11 0.02 0.00 1.08 0.00 0.00 40.66 41.64 1fdj h LEU 2127CO 0.00 1.03 1.27 0.47 -1.08 0.00 0.00 178.44 180.13 1fdj n ASP 2128N -3.76 3.86 -0.07 -0.43 8.00 -1.26 -1.95 116.55 120.94 1fdj n ASP 2128Ca -0.04 0.77 -0.01 0.00 0.71 0.00 0.00 54.79 56.22 1fdj n ASP 2128Cb 0.75 -1.51 -0.00 0.00 -0.02 0.00 0.00 41.12 40.34 1fdj n ASP 2128CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fdj n GLY 2129N 4.81 0.26 0.33 0.44 0.00 -1.26 -4.89 105.19 104.89 1fdj n GLY 2129Ca 0.23 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1fdj n GLY 2129CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fdj h LEU 2130N 0.00 0.36 -0.16 0.99 5.85 -1.60 -2.29 115.31 118.46 1fdj h LEU 2130Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1fdj h LEU 2130Cb 0.66 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1fdj h LEU 2130CO 0.03 0.24 0.08 -1.28 -0.34 0.00 0.00 178.44 177.16 1fdj h SER 2131N 0.41 0.20 -0.66 1.25 0.87 -1.90 0.14 113.55 113.86 1fdj h SER 2131Ca 0.22 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1fdj h SER 2131Cb 0.34 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.22 1fdj h SER 2131CO -0.06 0.25 0.27 -0.33 -0.53 0.00 0.00 176.83 176.43 1fdj h GLU 2132N 0.14 0.98 -0.74 2.24 3.07 -1.87 -0.82 114.58 117.58 1fdj h GLU 2132Ca 0.05 -0.17 0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1fdj h GLU 2132Cb 0.10 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 1fdj h GLU 2132CO -0.01 0.81 0.48 -0.09 -1.40 0.00 0.00 179.01 178.81 1fdj h ARG 2133N 0.92 0.98 -0.40 2.33 2.43 -1.14 -1.29 114.38 118.21 1fdj h ARG 2133Ca 0.22 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1fdj h ARG 2133Cb 0.19 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1fdj h ARG 2133CO -0.02 0.66 -0.23 0.00 -1.51 0.00 0.00 179.97 178.87 1fdj h ALA 2135N 1.05 0.87 -0.24 0.00 0.00 -0.68 -1.40 119.26 118.85 1fdj h ALA 2135Ca 0.09 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1fdj h ALA 2135Cb 0.75 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1fdj h ALA 2135CO 0.06 0.61 -0.15 0.37 0.00 0.00 0.00 179.25 180.14 1fdj h GLN 2136N 0.99 0.53 -0.99 0.00 5.75 -1.13 -2.46 115.11 117.81 1fdj h GLN 2136Ca 0.20 -0.25 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1fdj h GLN 2136Cb 0.41 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 1fdj h GLN 2136CO 0.01 0.81 0.64 1.88 -2.65 0.00 0.00 178.83 179.52 1fdj h TYR 2137N 0.25 1.20 -0.57 3.99 0.05 -1.06 -0.95 116.97 119.88 1fdj h TYR 2137Ca 0.05 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1fdj h TYR 2137Cb 0.67 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1fdj h TYR 2137CO 0.07 0.67 0.17 -0.22 -1.05 0.00 0.00 178.16 177.80 1fdj h LYS 2138N 1.22 0.85 0.00 4.88 1.63 -1.13 -1.26 116.57 122.77 1fdj h LYS 2138Ca 0.40 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.96 1fdj h LYS 2138Cb 0.04 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1fdj h LYS 2138CO -0.14 0.74 -0.40 0.87 -3.45 0.00 0.00 179.45 177.07 1fdj h LYS 2139N 0.83 0.00 -0.49 1.90 1.57 -0.73 -2.81 116.57 116.83 1fdj h LYS 2139Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1fdj h LYS 2139Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1fdj h LYS 2139CO -0.01 0.40 0.00 -0.25 -0.57 0.00 0.00 179.45 179.03 1fdj n ASP 2140N -3.67 2.23 0.00 0.86 8.00 -0.55 -4.91 116.55 118.51 1fdj n ASP 2140Ca -0.01 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.36 1fdj n ASP 2140Cb 0.50 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1fdj n ASP 2140CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fdj n GLY 2141N 0.80 0.76 3.74 0.44 0.00 -1.06 -5.04 105.19 104.83 1fdj n GLY 2141Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1fdj n GLY 2141CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fdj s VAL 2142N -2.14 5.00 -0.24 1.61 1.01 -0.58 -4.55 120.40 120.51 1fdj s VAL 2142Ca 0.00 1.27 0.13 0.00 0.00 0.00 0.00 61.98 63.38 1fdj s VAL 2142Cb 0.00 -3.95 -0.17 0.00 0.00 0.00 0.00 36.38 32.25 1fdj s VAL 2142CO 0.00 0.35 0.38 0.47 0.00 0.00 0.00 175.10 176.29 1fdj n ASP 2143N 3.24 1.50 -4.00 3.32 8.00 -0.07 -4.06 116.55 124.48 1fdj n ASP 2143Ca -0.05 -0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.06 1fdj n ASP 2143Cb 0.51 1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 42.89 1fdj n ASP 2143CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1fdj s PHE 2144N -2.62 0.44 0.42 1.24 -0.12 -1.18 -1.58 117.98 114.58 1fdj s PHE 2144Ca -0.01 -0.87 0.03 0.00 -0.05 0.00 0.00 56.93 56.03 1fdj s PHE 2144Cb 0.09 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1fdj s PHE 2144CO 0.52 -0.54 0.06 0.20 -0.05 0.00 0.00 175.22 175.42 1fdj s GLY 2145N -2.94 2.59 -0.04 1.99 0.00 -0.73 -0.86 107.32 107.34 1fdj s GLY 2145Ca 0.12 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 1fdj s GLY 2145CO -0.05 -1.96 0.06 1.25 0.00 0.00 0.00 173.10 172.40 1fdj s LYS 2146N -3.80 -0.01 -0.12 2.90 2.20 -0.31 -1.67 119.74 118.93 1fdj s LYS 2146Ca 0.23 0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1fdj s LYS 2146Cb 0.05 -0.27 0.03 0.00 -1.51 0.00 0.00 37.83 36.12 1fdj s LYS 2146CO 0.12 -0.20 -0.06 -0.46 -0.36 0.00 0.00 175.35 174.39 1fdj s TRP 2147N 1.31 1.41 -0.19 4.03 -0.11 -1.17 -0.93 118.94 123.28 1fdj s TRP 2147Ca -0.06 -0.74 -0.09 0.00 1.22 0.00 0.00 56.10 56.43 1fdj s TRP 2147Cb -0.13 -1.19 -0.04 0.00 -1.50 0.00 0.00 33.47 30.61 1fdj s TRP 2147CO -0.04 -0.52 0.09 0.50 -4.62 0.00 0.00 176.95 172.37 1fdj s ARG 2148N 1.73 4.07 -0.02 5.86 3.52 -1.26 -2.43 118.95 130.42 1fdj s ARG 2148Ca 0.04 -0.29 0.07 0.00 -0.13 0.00 0.00 55.73 55.42 1fdj s ARG 2148Cb -0.13 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1fdj s ARG 2148CO -0.08 0.27 -0.23 0.00 -0.81 0.00 0.00 175.30 174.45 1fdj s ALA 2149N 0.40 2.28 -0.14 6.12 0.00 -0.24 -4.90 121.76 125.29 1fdj s ALA 2149Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1fdj s ALA 2149Cb -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1fdj s ALA 2149CO -0.01 0.54 -0.15 0.08 0.00 0.00 0.00 175.76 176.22 1fdj s VAL 2150N -0.66 2.80 -0.04 0.00 1.01 -1.26 -0.66 120.40 121.60 1fdj s VAL 2150Ca 0.11 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1fdj s VAL 2150Cb -0.10 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1fdj s VAL 2150CO -0.00 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.68 1fdj s LEU 2151N 0.54 1.95 0.20 3.92 2.01 0.39 -4.72 118.68 122.97 1fdj s LEU 2151Ca -0.10 -0.37 0.10 0.00 0.01 0.00 0.00 54.13 53.77 1fdj s LEU 2151Cb -0.16 -1.03 -0.04 0.00 0.01 0.00 0.00 46.19 44.97 1fdj s LEU 2151CO 0.04 0.17 -0.17 0.00 1.01 0.00 0.00 176.35 177.41 1fdj s ARG 2152N -0.03 1.79 -0.24 1.70 1.70 -1.26 -1.47 118.95 121.15 1fdj s ARG 2152Ca -0.03 -1.45 -0.06 0.00 -0.47 0.00 0.00 55.73 53.71 1fdj s ARG 2152Cb -0.11 -1.97 -0.02 0.00 -0.57 0.00 0.00 34.95 32.27 1fdj s ARG 2152CO 0.02 0.40 0.04 0.42 -1.08 0.00 0.00 175.30 175.10 1fdj s ILE 2153N -1.83 4.10 0.00 4.99 1.01 -1.26 -2.37 121.20 125.83 1fdj s ILE 2153Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1fdj s ILE 2153Cb -0.08 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1fdj s ILE 2153CO 0.13 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1fdj n ALA 2154N 4.80 0.00 -1.80 9.38 0.00 -1.11 -4.82 120.51 126.95 1fdj n ALA 2154Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1fdj n ALA 2154Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1fdj n ALA 2154CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fdj s ASP 2155N -0.04 5.94 -0.80 0.00 -1.08 -1.26 -1.36 116.67 118.08 1fdj s ASP 2155Ca 0.00 1.90 0.00 0.00 -0.52 0.00 0.00 52.55 53.93 1fdj s ASP 2155Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1fdj s ASP 2155CO 0.00 -1.57 0.00 0.00 0.52 0.00 0.00 175.17 174.12 1fdj n GLN 2156N 8.20 -0.53 -4.48 4.34 1.13 -1.26 -4.78 117.38 119.99 1fdj n GLN 2156Ca 0.24 0.76 -0.21 0.00 -1.94 0.00 0.00 57.00 55.86 1fdj n GLN 2156Cb 0.44 -4.58 -0.14 0.00 0.11 0.00 0.00 30.24 26.07 1fdj n GLN 2156CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fdj s PRO 2158N -0.58 4.38 1.06 0.00 0.04 -1.00 -2.77 135.00 136.13 1fdj s PRO 2158Ca 0.03 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.66 1fdj s PRO 2158Cb -0.06 -3.42 0.22 0.00 0.04 0.00 0.00 34.50 31.28 1fdj s PRO 2158CO 0.00 0.17 1.10 -1.54 0.04 0.00 0.00 177.00 176.77 1fdj s SER 2159N 0.49 2.14 0.27 6.66 1.04 -1.19 -4.85 113.70 118.27 1fdj s SER 2159Ca 0.33 0.98 0.13 0.00 0.48 0.00 0.00 55.95 57.87 1fdj s SER 2159Cb -0.17 -1.52 0.28 0.00 0.10 0.00 0.00 66.02 64.71 1fdj s SER 2159CO 0.16 -3.41 1.55 0.77 0.98 0.00 0.00 173.24 173.29 1fdj h SER 2160N -2.09 0.00 -0.12 7.02 4.64 -1.99 -1.81 113.55 119.21 1fdj h SER 2160Ca -0.52 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1fdj h SER 2160Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1fdj h SER 2160CO 0.51 0.62 0.01 0.25 -0.87 0.00 0.00 176.83 177.36 1fdj h LEU 2161N 0.00 0.19 -0.88 5.97 5.85 -1.99 0.79 115.31 125.25 1fdj h LEU 2161Ca -0.01 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1fdj h LEU 2161Cb 1.23 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1fdj h LEU 2161CO 0.08 0.42 0.57 0.00 -0.34 0.00 0.00 178.44 179.17 1fdj h ALA 2162N 0.78 1.15 -0.27 1.25 0.00 -1.90 0.47 119.26 120.74 1fdj h ALA 2162Ca 0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1fdj h ALA 2162Cb 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fdj h ALA 2162CO 0.00 0.44 -0.30 0.82 0.00 0.00 0.00 179.25 180.21 1fdj h ILE 2163N 1.12 1.31 -0.42 0.00 2.04 -1.13 -2.31 117.51 118.12 1fdj h ILE 2163Ca 0.34 -1.48 -0.09 0.00 1.00 0.00 0.00 64.86 64.63 1fdj h ILE 2163Cb -0.03 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1fdj h ILE 2163CO -0.11 0.47 -0.09 1.56 0.00 0.00 0.00 178.15 179.98 1fdj h GLN 2164N 0.40 0.80 0.52 2.37 4.20 -0.55 -1.94 115.11 120.92 1fdj h GLN 2164Ca 0.04 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 1fdj h GLN 2164Cb 0.88 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.61 1fdj h GLN 2164CO 0.07 0.92 -0.25 0.93 -0.67 0.00 0.00 178.83 179.83 1fdj h GLU 2165N 0.63 -0.67 -0.73 1.46 4.39 -0.95 -1.65 114.58 117.06 1fdj h GLU 2165Ca 0.11 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1fdj h GLU 2165Cb 0.62 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1fdj h GLU 2165CO 0.04 -0.39 0.35 -0.91 -1.16 0.00 0.00 179.01 176.94 1fdj h ASN 2166N -0.85 0.95 -0.08 1.42 2.35 -1.47 0.05 115.58 117.95 1fdj h ASN 2166Ca -0.07 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1fdj h ASN 2166Cb 0.60 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1fdj h ASN 2166CO 0.12 0.82 0.04 0.00 -1.65 0.00 0.00 177.43 176.75 1fdj h ALA 2167N 1.17 0.10 -0.14 -0.83 0.00 -1.38 0.74 119.26 118.93 1fdj h ALA 2167Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1fdj h ALA 2167Cb 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fdj h ALA 2167CO -0.03 -0.42 -0.49 -0.91 0.00 0.00 0.00 179.25 177.39 1fdj h ASN 2168N 0.09 0.40 -0.33 0.00 2.35 -1.11 -1.01 115.58 115.96 1fdj h ASN 2168Ca 0.03 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 1fdj h ASN 2168Cb 0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1fdj h ASN 2168CO -0.02 0.83 -0.22 0.74 -1.65 0.00 0.00 177.43 177.10 1fdj h THR 2169N 0.29 1.29 -0.83 2.81 2.02 -0.85 -1.95 112.91 115.70 1fdj h THR 2169Ca 0.01 -1.36 0.02 0.00 0.77 0.00 0.00 66.41 65.85 1fdj h THR 2169Cb 0.97 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 1fdj h THR 2169CO 0.08 0.44 0.55 0.25 0.37 0.00 0.00 175.52 177.21 1fdj h LEU 2170N 0.50 0.91 -0.53 2.58 5.85 -0.70 -2.23 115.31 121.70 1fdj h LEU 2170Ca 0.07 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 1fdj h LEU 2170Cb 0.78 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1fdj h LEU 2170CO 0.06 0.64 -0.56 0.00 -0.34 0.00 0.00 178.44 178.24 1fdj h ALA 2171N 1.50 0.71 0.14 1.25 0.00 -0.93 -2.54 119.26 119.39 1fdj h ALA 2171Ca 0.32 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1fdj h ALA 2171Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1fdj h ALA 2171CO -0.08 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 1fdj h ARG 2172N 0.39 -0.17 -0.55 0.00 2.47 -0.85 -1.88 114.38 113.80 1fdj h ARG 2172Ca 0.00 0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.84 1fdj h ARG 2172Cb 1.10 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.37 1fdj h ARG 2172CO 0.10 0.02 0.02 -0.92 0.56 0.00 0.00 179.97 179.75 1fdj h TYR 2173N -0.34 -0.00 -0.67 3.04 3.20 -1.45 -1.00 116.97 119.76 1fdj h TYR 2173Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fdj h TYR 2173Cb 0.27 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1fdj h TYR 2173CO -0.02 -0.12 0.44 0.00 -1.64 0.00 0.00 178.16 176.82 1fdj h ALA 2174N 1.48 0.85 -0.51 1.82 0.00 -1.32 0.37 119.26 121.95 1fdj h ALA 2174Ca 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1fdj h ALA 2174Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fdj h ALA 2174CO -0.45 0.28 0.12 1.03 0.00 0.00 0.00 179.25 180.24 1fdj h SER 2175N 0.91 0.77 -0.41 0.00 0.87 -0.74 -2.38 113.55 112.57 1fdj h SER 2175Ca 0.24 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1fdj h SER 2175Cb -0.09 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1fdj h SER 2175CO -0.05 0.80 0.14 0.40 -0.53 0.00 0.00 176.83 177.59 1fdj h ILE 2176N 0.71 1.21 -0.18 2.23 2.04 -0.80 -2.00 117.51 120.71 1fdj h ILE 2176Ca 0.16 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1fdj h ILE 2176Cb 0.33 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1fdj h ILE 2176CO 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 178.15 178.39 1fdj h GLN 2178N 0.06 0.34 0.00 0.00 4.20 -1.30 -0.88 115.11 117.53 1fdj h GLN 2178Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1fdj h GLN 2178Cb 0.11 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1fdj h GLN 2178CO -0.15 0.32 0.00 1.96 -0.67 0.00 0.00 178.83 180.29 1fdj h GLN 2179N 0.35 0.00 -0.29 1.46 1.08 -0.87 -2.78 115.11 114.05 1fdj h GLN 2179Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1fdj h GLN 2179Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1fdj h GLN 2179CO -0.00 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.97 1fdj n ASN 2180N -2.58 2.76 0.00 1.46 4.13 -0.44 -4.99 115.26 115.60 1fdj n ASN 2180Ca 0.01 -1.89 0.00 0.00 1.68 0.00 0.00 54.58 54.39 1fdj n ASN 2180Cb 0.25 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1fdj n ASN 2180CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fdj n GLY 2181N 0.60 0.74 3.81 7.41 0.00 -0.96 -4.78 105.19 112.01 1fdj n GLY 2181Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1fdj n GLY 2181CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fdj s LEU 2182N 0.00 4.06 -0.37 0.99 1.02 -0.60 -4.86 118.68 118.91 1fdj s LEU 2182Ca 0.00 0.28 -0.26 0.00 0.02 0.00 0.00 54.13 54.17 1fdj s LEU 2182Cb 0.00 -2.17 0.02 0.00 0.02 0.00 0.00 46.19 44.06 1fdj s LEU 2182CO 0.00 0.34 0.94 -0.69 0.02 0.00 0.00 176.35 176.95 1fdj s VAL 2183N -1.10 4.57 -0.05 -1.59 1.01 -0.61 -3.01 120.40 119.61 1fdj s VAL 2183Ca 0.19 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1fdj s VAL 2183Cb -0.12 -4.35 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 1fdj s VAL 2183CO 0.09 -0.55 1.00 -2.16 0.00 0.00 0.00 175.10 173.48 1fdj s PRO 2184N 3.51 4.49 -0.30 2.72 0.04 -1.26 -1.77 135.00 142.43 1fdj s PRO 2184Ca 0.39 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1fdj s PRO 2184Cb -0.12 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1fdj s PRO 2184CO 0.19 -0.18 0.48 0.42 0.04 0.00 0.00 177.00 177.95 1fdj s ILE 2185N 1.51 5.07 -0.25 0.56 1.01 -0.67 -2.69 121.20 125.75 1fdj s ILE 2185Ca 0.50 0.58 -0.19 0.00 0.00 0.00 0.00 60.65 61.54 1fdj s ILE 2185Cb -0.20 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1fdj s ILE 2185CO 0.23 -0.03 0.57 -0.69 0.00 0.00 0.00 174.94 175.03 1fdj s VAL 2186N 2.30 5.03 -0.46 2.92 1.01 -0.31 -3.07 120.40 127.82 1fdj s VAL 2186Ca 0.19 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.22 1fdj s VAL 2186Cb -0.16 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.47 1fdj s VAL 2186CO 0.11 0.07 0.22 -0.70 0.00 0.00 0.00 175.10 174.80 1fdj s GLU 2187N 2.29 1.63 -0.69 2.72 2.12 -1.02 -0.60 118.70 125.14 1fdj s GLU 2187Ca 0.24 -2.26 -0.18 0.00 0.36 0.00 0.00 54.97 53.14 1fdj s GLU 2187Cb -0.16 -2.91 0.13 0.00 0.26 0.00 0.00 34.13 31.45 1fdj s GLU 2187CO 0.09 -1.10 0.78 -2.14 -0.54 0.00 0.00 175.26 172.35 1fdj s PRO 2188N 0.15 3.24 -0.22 4.30 0.02 -1.26 -1.07 135.00 140.16 1fdj s PRO 2188Ca 0.16 -1.62 -0.17 0.00 0.02 0.00 0.00 61.00 59.40 1fdj s PRO 2188Cb -0.24 -4.41 -0.03 0.00 0.02 0.00 0.00 34.50 29.84 1fdj s PRO 2188CO -0.02 -1.53 0.45 -2.00 -0.33 0.00 0.00 177.00 173.57 1fdj s GLU 2189N 2.19 4.13 -0.48 5.54 2.12 0.17 -4.31 118.70 128.07 1fdj s GLU 2189Ca 0.16 0.25 -0.19 0.00 0.36 0.00 0.00 54.97 55.55 1fdj s GLU 2189Cb -0.19 -3.59 0.04 0.00 0.26 0.00 0.00 34.13 30.66 1fdj s GLU 2189CO 0.01 -0.17 0.60 0.08 -0.54 0.00 0.00 175.26 175.24 1fdj s VAL 2190N 1.72 4.90 0.59 3.70 1.01 -1.26 -0.46 120.40 130.59 1fdj s VAL 2190Ca 0.20 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1fdj s VAL 2190Cb -0.15 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1fdj s VAL 2190CO 0.09 -0.70 1.23 0.27 0.00 0.00 0.00 175.10 175.99 1fdj s ILE 2191N 2.60 2.52 -1.80 2.22 -4.36 -0.54 -4.88 121.20 116.96 1fdj s ILE 2191Ca 0.16 0.33 0.30 0.00 -0.26 0.00 0.00 60.65 61.18 1fdj s ILE 2191Cb -0.18 -3.14 0.73 0.00 1.25 0.00 0.00 42.46 41.12 1fdj s ILE 2191CO 0.14 -0.06 2.08 -2.65 0.24 0.00 0.00 174.94 174.69 1fdj n PRO 2192N -1.49 0.75 -1.89 0.37 -0.02 -1.26 -4.66 135.00 126.80 1fdj n PRO 2192Ca 0.13 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1fdj n PRO 2192Cb 0.49 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1fdj n PRO 2192CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1fdj s ASP 2193N -2.20 6.50 0.00 2.55 1.11 -1.26 -0.18 116.67 123.19 1fdj s ASP 2193Ca 0.39 2.84 0.00 0.00 0.18 0.00 0.00 52.55 55.96 1fdj s ASP 2193Cb 0.20 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1fdj s ASP 2193CO 0.38 -0.80 0.00 0.61 1.18 0.00 0.00 175.17 176.54 1fdj n GLY 2194N 1.85 1.20 1.14 0.21 0.00 -1.26 -4.65 105.19 103.68 1fdj n GLY 2194Ca 0.06 -2.29 -0.01 0.00 0.00 0.00 0.00 46.02 43.78 1fdj n GLY 2194CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fdj n ASP 2195N 0.00 3.09 -4.81 1.61 5.68 -1.26 -1.15 116.55 119.70 1fdj n ASP 2195Ca 0.00 -3.48 -0.33 0.00 -0.50 0.00 0.00 54.79 50.48 1fdj n ASP 2195Cb 0.00 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.33 1fdj n ASP 2195CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1fdj s HIS 2196N -3.10 3.16 0.78 2.11 -3.43 -1.26 -4.60 115.29 108.95 1fdj s HIS 2196Ca 0.45 1.54 -0.03 0.00 -0.80 0.00 0.00 55.06 56.21 1fdj s HIS 2196Cb 0.39 -2.95 0.16 0.00 -1.43 0.00 0.00 32.58 28.75 1fdj s HIS 2196CO 0.04 -0.67 1.06 -0.40 -2.00 0.00 0.00 174.74 172.77 1fdj n ASP 2197N -1.35 1.13 -0.14 7.38 5.68 -1.26 0.17 116.55 128.17 1fdj n ASP 2197Ca 0.08 -2.02 -0.04 0.00 -0.50 0.00 0.00 54.79 52.30 1fdj n ASP 2197Cb 0.53 -0.72 0.04 0.00 -1.14 0.00 0.00 41.12 39.84 1fdj n ASP 2197CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1fdj h LEU 2198N 0.00 0.12 -1.41 -2.12 5.85 -1.92 -2.39 115.31 113.43 1fdj h LEU 2198Ca -0.35 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1fdj h LEU 2198Cb 1.22 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1fdj h LEU 2198CO 0.35 0.10 -0.17 1.05 -0.34 0.00 0.00 178.44 179.43 1fdj h GLU 2199N 0.29 0.18 -0.39 1.25 4.11 -1.95 -0.74 114.58 117.34 1fdj h GLU 2199Ca 0.21 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.44 1fdj h GLU 2199Cb 0.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1fdj h GLU 2199CO -0.23 0.35 -0.38 1.25 0.07 0.00 0.00 179.01 180.07 1fdj h HIS 2200N 0.17 1.11 -0.28 2.06 2.76 -1.82 -1.73 115.15 117.41 1fdj h HIS 2200Ca 0.03 -0.33 -0.04 0.00 -2.20 0.00 0.00 60.37 57.84 1fdj h HIS 2200Cb 0.40 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1fdj h HIS 2200CO 0.00 1.15 0.04 0.00 -1.30 0.00 0.00 177.93 177.82 1fdj h GLN 2202N 0.29 0.82 0.06 0.00 4.15 -1.05 0.11 115.11 119.50 1fdj h GLN 2202Ca 0.08 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1fdj h GLN 2202Cb 0.36 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1fdj h GLN 2202CO 0.01 0.54 -0.03 -0.92 -1.93 0.00 0.00 178.83 176.50 1fdj h TYR 2203N 0.85 -0.08 -0.69 3.99 3.20 -1.16 -2.00 116.97 121.07 1fdj h TYR 2203Ca 0.31 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1fdj h TYR 2203Cb 0.11 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1fdj h TYR 2203CO -0.05 0.02 0.27 0.28 -1.64 0.00 0.00 178.16 177.04 1fdj h VAL 2204N -0.16 1.25 -0.70 1.81 2.07 -1.12 -2.33 116.25 117.06 1fdj h VAL 2204Ca -0.01 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 1fdj h VAL 2204Cb 0.14 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1fdj h VAL 2204CO 0.01 0.31 0.31 0.74 0.02 0.00 0.00 177.57 178.96 1fdj h THR 2205N 0.99 1.24 -0.63 2.57 2.02 -0.86 0.48 112.91 118.73 1fdj h THR 2205Ca 0.23 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 1fdj h THR 2205Cb 0.22 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1fdj h THR 2205CO -0.02 0.29 0.12 -0.33 0.37 0.00 0.00 175.52 175.95 1fdj h GLU 2206N 0.99 1.03 -0.14 6.66 5.08 -1.25 -1.11 114.58 125.84 1fdj h GLU 2206Ca 0.24 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1fdj h GLU 2206Cb 0.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1fdj h GLU 2206CO -0.02 0.95 0.08 0.87 -1.00 0.00 0.00 179.01 179.88 1fdj h LYS 2207N 0.94 0.20 -0.20 2.33 1.79 -0.97 -1.86 116.57 118.81 1fdj h LYS 2207Ca 0.19 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1fdj h LYS 2207Cb 0.41 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1fdj h LYS 2207CO 0.01 0.23 0.09 0.28 -1.08 0.00 0.00 179.45 178.98 1fdj h VAL 2208N 0.13 1.14 -0.32 0.50 2.07 -0.80 -2.81 116.25 116.16 1fdj h VAL 2208Ca 0.05 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1fdj h VAL 2208Cb 0.09 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1fdj h VAL 2208CO -0.01 0.13 -0.03 -0.07 0.02 0.00 0.00 177.57 177.61 1fdj h LEU 2209N 0.18 0.48 -0.55 2.57 3.38 -1.18 -1.00 115.31 119.19 1fdj h LEU 2209Ca 0.07 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1fdj h LEU 2209Cb 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1fdj h LEU 2209CO -0.01 0.57 0.11 0.00 0.09 0.00 0.00 178.44 179.20 1fdj h ALA 2210N 1.49 0.72 -0.49 1.53 0.00 -1.25 -1.68 119.26 119.58 1fdj h ALA 2210Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1fdj h ALA 2210Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fdj h ALA 2210CO 0.01 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.73 1fdj h ALA 2211N 1.00 0.66 0.09 0.00 0.00 -1.21 -2.32 119.26 117.47 1fdj h ALA 2211Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fdj h ALA 2211Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1fdj h ALA 2211CO 0.01 0.46 -0.14 0.28 0.00 0.00 0.00 179.25 179.85 1fdj h VAL 2212N 0.72 0.67 0.00 0.00 2.07 -0.99 -0.40 116.25 118.33 1fdj h VAL 2212Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1fdj h VAL 2212Cb 0.50 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1fdj h VAL 2212CO 0.02 0.00 -0.12 1.88 0.02 0.00 0.00 177.57 179.37 1fdj h TYR 2213N -0.28 0.00 -0.00 1.57 -1.99 -1.29 -0.66 116.97 114.32 1fdj h TYR 2213Ca 0.02 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.49 1fdj h TYR 2213Cb 0.30 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.05 1fdj h TYR 2213CO -0.16 0.12 -1.03 -0.22 -0.00 0.00 0.00 178.16 176.88 1fdj h LYS 2214N 0.00 0.67 -0.54 4.88 1.63 -1.17 -2.89 116.57 119.16 1fdj h LYS 2214Ca -0.00 -0.72 -0.03 0.00 -0.85 0.00 0.00 60.65 59.06 1fdj h LYS 2214Cb 0.68 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 1fdj h LYS 2214CO 0.02 1.30 0.24 0.00 -3.45 0.00 0.00 179.45 177.55 1fdj h ALA 2215N 0.45 0.70 -0.08 5.00 0.00 -0.52 -1.41 119.26 123.39 1fdj h ALA 2215Ca -0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1fdj h ALA 2215Cb 1.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1fdj h ALA 2215CO 0.20 0.29 -0.11 -0.07 0.00 0.00 0.00 179.25 179.56 1fdj h LEU 2216N 0.73 0.11 -0.13 0.00 3.38 -1.17 -1.48 115.31 116.74 1fdj h LEU 2216Ca 0.18 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1fdj h LEU 2216Cb 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1fdj h LEU 2216CO -0.02 0.25 -0.35 -1.13 0.09 0.00 0.00 178.44 177.28 1fdj h ASN 2217N 0.12 0.54 -0.95 -0.43 -0.73 -1.20 -0.09 115.58 112.85 1fdj h ASN 2217Ca 0.03 -0.58 0.02 0.00 1.87 0.00 0.00 56.30 57.63 1fdj h ASN 2217Cb 0.28 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.66 1fdj h ASN 2217CO 0.02 1.02 0.62 0.44 -0.37 0.00 0.00 177.43 179.16 1fdj h ASP 2218N 0.08 1.06 -0.02 1.15 3.45 -0.85 -1.96 116.42 119.33 1fdj h ASP 2218Ca -0.01 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1fdj h ASP 2218Cb 0.96 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1fdj h ASP 2218CO 0.08 0.76 0.00 1.41 -1.57 0.00 0.00 179.24 179.91 1fdj n HIS 2219N -4.45 0.03 -2.67 4.55 8.25 -0.60 -4.92 115.22 115.41 1fdj n HIS 2219Ca 0.11 -0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.41 1fdj n HIS 2219Cb 0.04 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.17 1fdj n HIS 2219CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1fdj n HIS 2220N -0.61 -1.20 -2.51 4.41 8.25 -0.74 -4.89 115.22 117.92 1fdj n HIS 2220Ca 0.18 0.28 -0.41 0.00 -0.26 0.00 0.00 57.72 57.51 1fdj n HIS 2220Cb 0.15 -3.31 -0.04 0.00 1.12 0.00 0.00 29.99 27.91 1fdj n HIS 2220CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1fdj s VAL 2221N -2.92 4.05 -0.81 1.59 1.01 -0.09 -4.88 120.40 118.35 1fdj s VAL 2221Ca 0.16 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.52 1fdj s VAL 2221Cb -0.07 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.30 1fdj s VAL 2221CO 0.20 0.22 1.31 -0.47 0.00 0.00 0.00 175.10 176.36 1fdj s TYR 2222N 0.30 2.35 0.40 5.22 5.04 -1.26 -4.79 117.35 124.62 1fdj s TYR 2222Ca 0.52 -0.26 0.11 0.00 -2.44 0.00 0.00 57.07 55.01 1fdj s TYR 2222Cb -0.28 -4.64 0.92 0.00 0.35 0.00 0.00 41.96 38.31 1fdj s TYR 2222CO 0.32 -2.03 1.96 -0.07 -1.34 0.00 0.00 175.55 174.38 1fdj h LEU 2223N 12.92 0.49 -2.31 6.97 3.38 -1.93 -1.69 115.31 133.13 1fdj h LEU 2223Ca -0.16 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1fdj h LEU 2223Cb 1.04 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1fdj h LEU 2223CO 1.31 0.29 -0.04 -0.33 0.09 0.00 0.00 178.44 179.77 1fdj h GLU 2224N 0.54 0.00 -1.38 1.13 3.07 -1.90 -2.70 114.58 113.33 1fdj h GLU 2224Ca 0.31 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.52 1fdj h GLU 2224Cb 0.50 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.06 1fdj h GLU 2224CO -0.10 0.04 0.08 0.41 -1.40 0.00 0.00 179.01 178.03 1fdj n GLY 2225N -1.11 5.93 3.25 -3.84 0.00 -0.64 -4.50 105.19 104.28 1fdj n GLY 2225Ca -0.03 -2.58 -0.15 0.00 0.00 0.00 0.00 46.02 43.27 1fdj n GLY 2225CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fdj s THR 2226N -5.07 0.00 -0.01 2.61 -4.23 -1.02 -4.26 115.64 103.67 1fdj s THR 2226Ca 0.53 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 1fdj s THR 2226Cb 0.44 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.79 1fdj s THR 2226CO -0.17 0.00 0.22 -0.22 -0.54 0.00 0.00 174.62 173.91 1fdj s LEU 2227N -3.26 1.22 -0.06 4.79 2.96 -1.10 -4.26 118.68 118.98 1fdj s LEU 2227Ca 0.39 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.29 1fdj s LEU 2227Cb 0.05 0.95 -0.02 0.00 0.50 0.00 0.00 46.19 47.67 1fdj s LEU 2227CO 0.19 -0.40 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.42 1fdj s LEU 2228N -1.33 2.49 -0.56 -0.68 2.96 -0.77 -1.16 118.68 119.64 1fdj s LEU 2228Ca -0.14 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1fdj s LEU 2228Cb -0.06 -1.49 0.18 0.00 0.50 0.00 0.00 46.19 45.31 1fdj s LEU 2228CO 0.03 0.30 0.44 1.17 -1.32 0.00 0.00 176.35 176.97 1fdj n LYS 2229N 2.60 1.08 -2.85 1.98 4.81 0.23 -0.13 118.16 125.88 1fdj n LYS 2229Ca -0.17 -3.86 -0.21 0.00 -0.87 0.00 0.00 58.31 53.20 1fdj n LYS 2229Cb 0.52 -1.97 0.02 0.00 0.02 0.00 0.00 35.03 33.63 1fdj n LYS 2229CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1fdj s PRO 2230N -0.82 2.77 0.73 1.64 0.04 -1.26 -3.99 135.00 134.10 1fdj s PRO 2230Ca 0.30 -0.78 -0.11 0.00 0.04 0.00 0.00 61.00 60.44 1fdj s PRO 2230Cb 0.01 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1fdj s PRO 2230CO -0.17 -0.47 1.08 0.54 0.04 0.00 0.00 177.00 178.02 1fdj s ASN 2231N -4.34 5.19 0.43 6.66 4.22 -1.26 -3.02 114.94 122.83 1fdj s ASN 2231Ca 0.53 1.31 -0.03 0.00 -2.14 0.00 0.00 52.86 52.54 1fdj s ASN 2231Cb -0.10 -2.13 -0.03 0.00 1.28 0.00 0.00 41.25 40.27 1fdj s ASN 2231CO 0.37 -1.52 0.69 -0.04 -2.04 0.00 0.00 177.10 174.56 1fdj s MET 2232N -5.21 3.49 -0.43 3.55 -1.94 -1.26 -4.94 119.30 112.55 1fdj s MET 2232Ca 0.59 -0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 54.31 1fdj s MET 2232Cb -0.13 -2.49 0.02 0.00 2.01 0.00 0.00 34.83 34.25 1fdj s MET 2232CO 0.53 -0.08 0.78 0.08 -0.01 0.00 0.00 175.02 176.32 1fdj s VAL 2233N -2.58 4.67 0.15 -6.03 1.01 -1.26 -4.99 120.40 111.37 1fdj s VAL 2233Ca 0.45 0.49 -0.00 0.00 0.00 0.00 0.00 61.98 62.92 1fdj s VAL 2233Cb -0.10 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1fdj s VAL 2233CO 0.41 -0.66 0.05 0.42 0.00 0.00 0.00 175.10 175.32 1fdj s THR 2234N 3.24 0.29 0.84 3.92 -4.23 -1.26 -4.67 115.64 113.76 1fdj s THR 2234Ca 0.30 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 1fdj s THR 2234Cb -0.12 -2.13 0.09 0.00 1.34 0.00 0.00 72.50 71.68 1fdj s THR 2234CO 0.22 -0.41 1.10 0.00 -0.54 0.00 0.00 174.62 174.98 1fdj s ALA 2235N -3.93 1.99 0.79 3.99 0.00 -1.26 -4.52 121.76 118.82 1fdj s ALA 2235Ca 0.26 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.92 1fdj s ALA 2235Cb 0.07 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 20.13 1fdj s ALA 2235CO 0.04 -1.97 1.09 0.20 0.00 0.00 0.00 175.76 175.12 1fdj s GLY 2236N -3.77 1.67 0.40 0.00 0.00 0.13 -4.90 107.32 100.84 1fdj s GLY 2236Ca 0.62 0.26 0.10 0.00 0.00 0.00 0.00 44.72 45.70 1fdj s GLY 2236CO 0.55 0.62 1.97 0.45 0.00 0.00 0.00 173.10 176.69 1fdj h HIS 2237N -1.20 0.59 -0.36 1.90 3.86 -0.40 -0.94 115.15 118.61 1fdj h HIS 2237Ca -0.44 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1fdj h HIS 2237Cb 1.24 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1fdj h HIS 2237CO 0.57 0.30 0.00 0.00 0.86 0.00 0.00 177.93 179.65 1fdj n ALA 2238N -2.48 3.22 -2.72 2.45 0.00 -0.30 -4.88 120.51 115.80 1fdj n ALA 2238Ca 0.10 -1.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.06 1fdj n ALA 2238Cb 0.30 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1fdj n ALA 2238CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdj h THR 2240N 4.74 1.54 -2.95 0.00 1.35 -1.90 -3.46 112.91 112.24 1fdj h THR 2240Ca -0.41 -3.20 -0.52 0.00 -0.55 0.00 0.00 66.41 61.73 1fdj h THR 2240Cb 1.18 2.76 0.07 0.00 -1.73 0.00 0.00 68.15 70.43 1fdj h THR 2240CO 0.76 0.88 0.95 -0.54 -0.25 0.00 0.00 175.52 177.31 1fdj s LYS 2241N -2.74 4.13 0.00 4.72 1.02 -1.26 -4.98 119.74 120.63 1fdj s LYS 2241Ca 0.01 2.57 -0.15 0.00 0.02 0.00 0.00 55.97 58.43 1fdj s LYS 2241Cb 0.10 -3.06 -0.06 0.00 -0.52 0.00 0.00 37.83 34.29 1fdj s LYS 2241CO 0.81 -0.69 0.41 0.15 -0.92 0.00 0.00 175.35 175.11 1fdj s LYS 2242N 0.49 3.92 -0.01 1.68 1.02 -1.26 -4.99 119.74 120.60 1fdj s LYS 2242Ca 0.70 0.42 0.03 0.00 0.02 0.00 0.00 55.97 57.14 1fdj s LYS 2242Cb -0.48 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1fdj s LYS 2242CO 0.38 0.69 -0.10 0.71 -0.92 0.00 0.00 175.35 176.11 1fdj s TYR 2243N -1.08 0.93 0.63 3.18 1.51 -1.26 -5.16 117.35 116.10 1fdj s TYR 2243Ca 0.24 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 56.08 1fdj s TYR 2243Cb -0.17 -0.60 0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1fdj s TYR 2243CO 0.14 -0.02 0.90 0.95 -1.11 0.00 0.00 175.55 176.41 1fdj s THR 2244N -0.27 2.64 0.31 -0.71 -4.23 -1.26 -4.92 115.64 107.21 1fdj s THR 2244Ca 0.04 -0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1fdj s THR 2244Cb -0.04 -3.07 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1fdj s THR 2244CO -0.00 -0.07 1.97 -0.65 -0.54 0.00 0.00 174.62 175.33 1fdj h PRO 2245N -0.27 1.00 -0.48 3.99 0.11 -1.97 -1.67 132.00 132.71 1fdj h PRO 2245Ca -0.44 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1fdj h PRO 2245Cb 1.30 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1fdj h PRO 2245CO 0.57 0.68 0.30 0.93 -0.21 0.00 0.00 178.00 180.27 1fdj h GLU 2246N 1.02 0.58 -0.15 1.05 3.07 -1.94 0.25 114.58 118.47 1fdj h GLU 2246Ca 0.27 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1fdj h GLU 2246Cb -0.08 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 1fdj h GLU 2246CO -0.06 0.38 -0.03 1.96 -1.40 0.00 0.00 179.01 179.87 1fdj h GLN 2247N 0.60 0.28 -0.65 2.33 4.20 -1.86 -1.02 115.11 118.98 1fdj h GLN 2247Ca 0.19 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.83 1fdj h GLN 2247Cb -0.01 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1fdj h GLN 2247CO -0.07 0.55 0.43 0.28 -0.67 0.00 0.00 178.83 179.34 1fdj h VAL 2248N -0.01 1.10 -0.29 -0.54 2.07 -1.08 -1.19 116.25 116.31 1fdj h VAL 2248Ca 0.04 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1fdj h VAL 2248Cb 0.44 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1fdj h VAL 2248CO 0.01 0.14 -0.28 0.00 0.02 0.00 0.00 177.57 177.47 1fdj h ALA 2249N 1.62 0.43 0.12 1.67 0.00 -0.32 -2.11 119.26 120.66 1fdj h ALA 2249Ca 0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1fdj h ALA 2249Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1fdj h ALA 2249CO -0.07 0.44 -0.06 1.98 0.00 0.00 0.00 179.25 181.55 1fdj h MET 2250N 0.46 -0.15 -0.98 0.00 -1.53 -0.66 -0.64 114.93 111.42 1fdj h MET 2250Ca 0.05 0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.35 1fdj h MET 2250Cb 0.85 0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.88 1fdj h MET 2250CO 0.07 0.03 0.64 0.00 0.14 0.00 0.00 176.91 177.80 1fdj h ALA 2251N 0.56 1.29 0.54 0.39 0.00 -1.26 -1.07 119.26 119.71 1fdj h ALA 2251Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1fdj h ALA 2251Cb 0.25 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1fdj h ALA 2251CO 0.03 0.55 -0.26 1.15 0.00 0.00 0.00 179.25 180.71 1fdj h THR 2252N 1.25 0.23 0.00 0.00 2.02 -1.24 -2.13 112.91 113.05 1fdj h THR 2252Ca 0.39 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1fdj h THR 2252Cb -0.02 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1fdj h THR 2252CO -0.12 0.04 -0.01 0.58 0.37 0.00 0.00 175.52 176.38 1fdj h VAL 2253N -1.08 0.98 -0.18 3.16 2.07 -1.07 -0.75 116.25 119.38 1fdj h VAL 2253Ca -0.07 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1fdj h VAL 2253Cb 0.62 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1fdj h VAL 2253CO 0.12 0.01 -0.02 0.74 0.02 0.00 0.00 177.57 178.44 1fdj h THR 2254N 0.00 1.27 -0.59 2.57 2.02 -1.17 -0.98 112.91 116.03 1fdj h THR 2254Ca -0.00 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1fdj h THR 2254Cb 0.02 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 1fdj h THR 2254CO 0.00 0.28 0.27 0.00 0.37 0.00 0.00 175.52 176.44 1fdj h ALA 2255N 0.75 0.76 -0.05 6.16 0.00 -0.62 -3.07 119.26 123.19 1fdj h ALA 2255Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1fdj h ALA 2255Cb 0.43 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1fdj h ALA 2255CO 0.01 0.33 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 1fdj h LEU 2256N 0.80 0.08 -0.14 0.00 3.38 -1.11 -3.03 115.31 115.28 1fdj h LEU 2256Ca 0.20 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fdj h LEU 2256Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1fdj h LEU 2256CO -0.02 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1fdj n HIS 2257N -4.90 0.14 0.03 1.13 1.44 -0.38 -0.57 115.22 112.11 1fdj n HIS 2257Ca -0.07 0.06 0.03 0.00 -2.01 0.00 0.00 57.72 55.73 1fdj n HIS 2257Cb 0.17 -0.59 -0.08 0.00 0.12 0.00 0.00 29.99 29.61 1fdj n HIS 2257CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1fdj n ARG 2258N -1.63 0.63 -0.02 -1.40 1.74 -1.17 -4.71 116.66 110.09 1fdj n ARG 2258Ca 0.03 0.13 -0.03 0.00 -0.77 0.00 0.00 57.85 57.20 1fdj n ARG 2258Cb 0.15 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.81 1fdj n ARG 2258CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1fdj n THR 2259N -2.75 0.27 -2.83 0.55 -2.24 -0.80 -5.02 114.28 101.46 1fdj n THR 2259Ca -0.08 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1fdj n THR 2259Cb 0.76 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1fdj n THR 2259CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fdj s VAL 2260N -2.09 4.65 0.65 2.28 1.01 0.26 -4.83 120.40 122.33 1fdj s VAL 2260Ca -0.06 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 1fdj s VAL 2260Cb 0.02 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1fdj s VAL 2260CO 0.11 -0.42 1.17 -2.65 0.00 0.00 0.00 175.10 173.31 1fdj n PRO 2261N 6.57 0.97 0.00 2.72 -0.02 -1.26 -4.80 135.00 139.18 1fdj n PRO 2261Ca 0.07 0.39 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 1fdj n PRO 2261Cb 0.48 -2.41 0.32 0.00 -0.02 0.00 0.00 33.50 31.87 1fdj n PRO 2261CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fdj n ALA 2262N -1.97 1.70 0.19 3.55 0.00 -1.26 -2.25 120.51 120.47 1fdj n ALA 2262Ca 0.15 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1fdj n ALA 2262Cb 0.48 -1.22 0.36 0.00 0.00 0.00 0.00 19.45 19.07 1fdj n ALA 2262CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdj h ALA 2263N 2.55 1.04 -2.05 0.00 0.00 -1.93 -3.43 119.26 115.44 1fdj h ALA 2263Ca 0.00 -0.32 -0.57 0.00 0.00 0.00 0.00 54.91 54.02 1fdj h ALA 2263Cb 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1fdj h ALA 2263CO 0.00 0.45 0.94 0.08 0.00 0.00 0.00 179.25 180.72 1fdj s VAL 2264N -3.68 4.20 0.20 0.00 1.01 -0.96 -3.62 120.40 117.56 1fdj s VAL 2264Ca -0.00 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 1fdj s VAL 2264Cb 0.11 -4.07 0.13 0.00 0.00 0.00 0.00 36.38 32.56 1fdj s VAL 2264CO 0.68 -0.30 1.77 -0.65 0.00 0.00 0.00 175.10 176.60 1fdj h PRO 2265N 8.78 0.47 -3.09 2.72 0.11 -1.78 -3.43 132.00 135.79 1fdj h PRO 2265Ca -0.26 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 1fdj h PRO 2265Cb 1.10 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 31.96 1fdj h PRO 2265CO 1.00 0.31 -0.00 0.20 -0.21 0.00 0.00 178.00 179.30 1fdj s GLY 2266N -3.06 -0.37 -0.26 -0.55 0.00 -1.26 -2.16 107.32 99.66 1fdj s GLY 2266Ca -0.13 0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1fdj s GLY 2266CO 0.75 0.00 -0.06 -0.42 0.00 0.00 0.00 173.10 173.36 1fdj s ILE 2267N -3.18 1.86 -0.47 0.90 1.01 0.05 -1.85 121.20 119.53 1fdj s ILE 2267Ca -0.01 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.00 1fdj s ILE 2267Cb 0.00 -2.09 0.10 0.00 0.01 0.00 0.00 42.46 40.48 1fdj s ILE 2267CO -0.08 -0.13 0.36 0.00 0.00 0.00 0.00 174.94 175.09 1fdj s PHE 2269N 1.49 2.95 0.20 0.00 0.08 -0.37 -4.17 117.98 118.16 1fdj s PHE 2269Ca 0.04 1.37 -0.15 0.00 0.12 0.00 0.00 56.93 58.31 1fdj s PHE 2269Cb -0.25 -3.74 -0.08 0.00 -0.57 0.00 0.00 43.02 38.38 1fdj s PHE 2269CO 0.03 -2.07 0.62 -0.48 -0.10 0.00 0.00 175.22 173.21 1fdj s LEU 2270N -1.90 4.27 0.32 -0.37 0.05 -1.17 -0.98 118.68 118.90 1fdj s LEU 2270Ca 0.50 1.16 0.17 0.00 0.05 0.00 0.00 54.13 56.01 1fdj s LEU 2270Cb -0.41 -3.52 0.20 0.00 -2.05 0.00 0.00 46.19 40.41 1fdj s LEU 2270CO 0.54 0.01 1.51 0.77 -0.55 0.00 0.00 176.35 178.64 1fdj h SER 2271N 3.18 0.00 -6.40 1.48 4.64 -1.93 -3.41 113.55 111.10 1fdj h SER 2271Ca -0.48 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.35 1fdj h SER 2271Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 1fdj h SER 2271CO 0.66 0.42 -0.83 0.61 -0.87 0.00 0.00 176.83 176.82 1fdj n GLY 2272N 1.06 -0.36 2.46 -0.77 0.00 -1.26 -2.19 105.19 104.13 1fdj n GLY 2272Ca 0.02 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 1fdj n GLY 2272CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdj n GLY 2273N -1.69 1.54 3.91 -0.02 0.00 -1.26 -4.95 105.19 102.71 1fdj n GLY 2273Ca -0.13 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1fdj n GLY 2273CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fdj s MET 2274N -3.27 3.60 0.59 1.61 0.23 -0.93 -4.99 119.30 116.14 1fdj s MET 2274Ca 0.00 -0.13 -0.18 0.00 -1.03 0.00 0.00 55.69 54.35 1fdj s MET 2274Cb 0.00 -2.78 -0.07 0.00 -1.53 0.00 0.00 34.83 30.46 1fdj s MET 2274CO 0.00 0.37 0.70 -1.13 -2.03 0.00 0.00 175.02 172.93 1fdj n SER 2275N -0.47 -0.32 -0.29 -1.18 3.41 -1.26 -4.61 113.62 108.90 1fdj n SER 2275Ca -0.03 0.75 0.05 0.00 -0.26 0.00 0.00 58.87 59.39 1fdj n SER 2275Cb 0.53 -1.26 0.20 0.00 -0.26 0.00 0.00 64.21 63.41 1fdj n SER 2275CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1fdj h GLU 2276N 0.29 0.68 0.44 4.33 5.08 -1.91 -0.93 114.58 122.56 1fdj h GLU 2276Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1fdj h GLU 2276Cb 1.38 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1fdj h GLU 2276CO 0.48 0.45 -0.26 1.49 -1.00 0.00 0.00 179.01 180.17 1fdj h GLU 2277N 0.70 -0.64 -0.96 2.33 4.81 -1.91 -2.62 114.58 116.29 1fdj h GLU 2277Ca 0.43 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.76 1fdj h GLU 2277Cb 0.51 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 1fdj h GLU 2277CO -0.31 -0.42 0.63 -0.44 -0.73 0.00 0.00 179.01 177.74 1fdj h ASP 2278N -0.66 1.00 -0.44 1.04 3.32 -1.74 -0.31 116.42 118.64 1fdj h ASP 2278Ca -0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1fdj h ASP 2278Cb 0.54 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1fdj h ASP 2278CO 0.06 0.65 0.20 0.00 -1.72 0.00 0.00 179.24 178.43 1fdj h ALA 2279N 1.47 1.44 -0.00 3.45 0.00 -1.07 -0.48 119.26 124.07 1fdj h ALA 2279Ca 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1fdj h ALA 2279Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1fdj h ALA 2279CO -0.15 0.43 -0.12 1.15 0.00 0.00 0.00 179.25 180.56 1fdj h THR 2280N 0.69 1.58 0.02 0.00 2.02 -0.87 -2.83 112.91 113.51 1fdj h THR 2280Ca 0.17 -1.87 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1fdj h THR 2280Cb 0.13 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1fdj h THR 2280CO -0.02 0.50 -0.01 -0.07 0.37 0.00 0.00 175.52 176.29 1fdj h LEU 2281N -0.63 -0.02 -1.02 2.58 3.38 -0.98 -0.23 115.31 118.38 1fdj h LEU 2281Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1fdj h LEU 2281Cb 0.88 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1fdj h LEU 2281CO 0.02 -0.00 0.50 0.78 0.09 0.00 0.00 178.44 179.83 1fdj h ASN 2282N -0.03 1.05 -0.31 -0.43 2.35 -1.22 -1.41 115.58 115.57 1fdj h ASN 2282Ca -0.00 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1fdj h ASN 2282Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1fdj h ASN 2282CO 0.00 0.82 0.03 0.25 -1.65 0.00 0.00 177.43 176.88 1fdj h LEU 2283N 1.19 0.51 -0.15 1.61 6.46 -1.21 -1.27 115.31 122.45 1fdj h LEU 2283Ca 0.31 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1fdj h LEU 2283Cb -0.02 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1fdj h LEU 2283CO -0.06 0.67 0.09 -1.13 -0.62 0.00 0.00 178.44 177.39 1fdj h ASN 2284N 0.34 0.14 -0.79 1.25 -1.24 -0.74 -2.70 115.58 111.84 1fdj h ASN 2284Ca 0.09 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.15 1fdj h ASN 2284Cb 0.39 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.36 1fdj h ASN 2284CO 0.01 0.10 0.48 0.00 -1.29 0.00 0.00 177.43 176.74 1fdj h ALA 2285N 1.07 1.06 -0.54 1.57 0.00 -1.16 -2.31 119.26 118.95 1fdj h ALA 2285Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1fdj h ALA 2285Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1fdj h ALA 2285CO -0.03 0.23 0.36 0.82 0.00 0.00 0.00 179.25 180.62 1fdj h ILE 2286N 0.90 1.13 0.00 0.00 2.04 -0.92 -0.03 117.51 120.62 1fdj h ILE 2286Ca 0.34 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1fdj h ILE 2286Cb 0.13 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1fdj h ILE 2286CO -0.16 0.13 -0.09 0.59 0.00 0.00 0.00 178.15 178.62 1fdj n ASN 2287N -4.46 0.60 -0.75 1.72 3.02 -0.91 -2.83 115.26 111.65 1fdj n ASN 2287Ca 0.05 0.48 0.12 0.00 -0.03 0.00 0.00 54.58 55.20 1fdj n ASN 2287Cb 0.06 -0.58 0.15 0.00 -0.61 0.00 0.00 39.78 38.80 1fdj n ASN 2287CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fdj n LEU 2288N -2.04 2.47 -4.70 3.41 4.77 -0.14 -4.78 117.00 115.98 1fdj n LEU 2288Ca 0.06 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 1fdj n LEU 2288Cb 0.41 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1fdj n LEU 2288CO 0.30 0.42 1.16 0.00 -1.33 0.00 0.00 177.39 177.94 1fdj n PRO 2290N 4.99 0.48 -2.47 0.00 -0.04 -1.26 -4.84 135.00 131.86 1fdj n PRO 2290Ca 0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 1fdj n PRO 2290Cb 0.42 -1.04 0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1fdj n PRO 2290CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fdj s LEU 2291N -0.83 3.18 0.14 1.53 1.43 -1.26 -5.01 118.68 117.85 1fdj s LEU 2291Ca 0.00 0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 53.23 1fdj s LEU 2291Cb 0.00 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 1fdj s LEU 2291CO 0.00 -1.18 1.46 -2.84 0.23 0.00 0.00 176.35 174.02 1fdj s PRO 2292N -4.96 4.28 -0.47 1.29 0.02 -1.26 -4.98 135.00 128.92 1fdj s PRO 2292Ca 0.55 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.81 1fdj s PRO 2292Cb -0.10 -3.21 0.16 0.00 0.02 0.00 0.00 34.50 31.37 1fdj s PRO 2292CO 0.43 -0.51 0.36 0.15 -0.33 0.00 0.00 177.00 177.10 1fdj s LYS 2293N 1.10 1.25 0.00 5.54 1.02 -1.26 -4.78 119.74 122.61 1fdj s LYS 2293Ca 0.67 -2.32 0.22 0.00 0.02 0.00 0.00 55.97 54.55 1fdj s LYS 2293Cb -0.40 -1.92 1.23 0.00 -0.52 0.00 0.00 37.83 36.22 1fdj s LYS 2293CO 0.31 -1.34 1.69 -0.35 -0.92 0.00 0.00 175.35 174.75 1fdj n PRO 2294N 2.79 0.54 -4.46 -1.68 -0.04 -1.26 -4.79 135.00 126.10 1fdj n PRO 2294Ca 0.25 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.50 1fdj n PRO 2294Cb 0.43 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 1fdj n PRO 2294CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1fdj s TRP 2295N -2.22 2.30 0.27 0.54 0.51 -1.26 -4.98 118.94 114.09 1fdj s TRP 2295Ca 0.28 -0.33 -0.29 0.00 -2.12 0.00 0.00 56.10 53.64 1fdj s TRP 2295Cb 0.15 -1.01 -0.09 0.00 -0.81 0.00 0.00 33.47 31.70 1fdj s TRP 2295CO 0.28 0.69 1.15 0.15 -0.51 0.00 0.00 176.95 178.71 1fdj s LYS 2296N -3.40 4.57 -0.45 4.98 -0.14 -0.92 -4.90 119.74 119.48 1fdj s LYS 2296Ca 0.29 1.87 -0.01 0.00 -1.36 0.00 0.00 55.97 56.76 1fdj s LYS 2296Cb -0.05 -3.18 0.12 0.00 -1.68 0.00 0.00 37.83 33.03 1fdj s LYS 2296CO 0.14 0.10 0.23 -0.51 -0.76 0.00 0.00 175.35 174.55 1fdj s LEU 2297N -1.25 5.12 0.00 3.17 1.43 -1.26 -0.77 118.68 125.12 1fdj s LEU 2297Ca 0.47 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 1fdj s LEU 2297Cb -0.33 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1fdj s LEU 2297CO 0.42 -0.46 0.00 -0.24 0.23 0.00 0.00 176.35 176.29 1fdj n SER 2298N 4.22 1.62 -4.22 2.29 2.88 0.46 -4.68 113.62 116.18 1fdj n SER 2298Ca 0.01 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.40 1fdj n SER 2298Cb 0.40 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.76 1fdj n SER 2298CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1fdj s PHE 2299N 1.20 1.24 -0.44 0.66 -0.71 -1.26 -1.23 117.98 117.43 1fdj s PHE 2299Ca 0.00 -0.67 0.05 0.00 -1.04 0.00 0.00 56.93 55.27 1fdj s PHE 2299Cb 0.00 -0.65 0.18 0.00 -1.21 0.00 0.00 43.02 41.35 1fdj s PHE 2299CO 0.00 0.07 0.46 0.45 -1.34 0.00 0.00 175.22 174.87 1fdj n SER 2300N 0.24 -1.31 -4.89 1.98 2.88 -0.15 -0.57 113.62 111.80 1fdj n SER 2300Ca -0.13 -2.55 -0.34 0.00 -1.33 0.00 0.00 58.87 54.51 1fdj n SER 2300Cb 0.59 0.11 -0.05 0.00 -0.75 0.00 0.00 64.21 64.10 1fdj n SER 2300CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1fdj s TYR 2301N 0.23 3.57 0.00 0.66 4.12 -0.96 -4.23 117.35 120.73 1fdj s TYR 2301Ca 0.32 0.44 0.00 0.00 0.02 0.00 0.00 57.07 57.85 1fdj s TYR 2301Cb 0.04 -1.88 0.00 0.00 -1.52 0.00 0.00 41.96 38.59 1fdj s TYR 2301CO -0.16 0.66 0.00 0.41 0.02 0.00 0.00 175.55 176.49 1fdj n GLY 2302N 1.23 0.05 0.28 0.71 0.00 -1.26 -0.73 105.19 105.46 1fdj n GLY 2302Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.92 1fdj n GLY 2302CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fdj h ARG 2303N 0.00 0.55 0.00 1.61 3.08 -1.96 -1.13 114.38 116.53 1fdj h ARG 2303Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1fdj h ARG 2303Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1fdj h ARG 2303CO 0.00 0.37 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1fdj n ALA 2304N -2.44 1.09 0.21 0.04 0.00 -1.26 -0.31 120.51 117.84 1fdj n ALA 2304Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.60 1fdj n ALA 2304Cb 0.33 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 1fdj n ALA 2304CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fdj n LEU 2305N -1.53 0.21 0.00 0.00 4.77 -0.47 -4.66 117.00 115.32 1fdj n LEU 2305Ca 0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1fdj n LEU 2305Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1fdj n LEU 2305CO 0.02 0.05 -0.16 0.00 -1.33 0.00 0.00 177.39 175.97 1fdj n GLN 2306N -1.32 4.54 -0.15 3.23 6.02 -0.34 -4.75 117.38 124.62 1fdj n GLN 2306Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1fdj n GLN 2306Cb 0.12 -0.66 -0.00 0.00 1.02 0.00 0.00 30.24 30.72 1fdj n GLN 2306CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fdj h ALA 2307N 0.00 -0.07 -0.29 -1.58 0.00 -0.92 -0.77 119.26 115.64 1fdj h ALA 2307Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1fdj h ALA 2307Cb 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1fdj h ALA 2307CO 0.00 -0.67 -0.02 0.77 0.00 0.00 0.00 179.25 179.33 1fdj h SER 2308N -0.20 0.51 -0.63 0.00 0.02 -1.88 -2.00 113.55 109.37 1fdj h SER 2308Ca 0.20 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1fdj h SER 2308Cb 0.52 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1fdj h SER 2308CO -0.58 0.71 0.33 0.00 -1.14 0.00 0.00 176.83 176.15 1fdj h ALA 2309N 0.82 0.84 0.18 3.77 0.00 -1.72 0.13 119.26 123.27 1fdj h ALA 2309Ca 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1fdj h ALA 2309Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1fdj h ALA 2309CO 0.02 -0.03 -0.08 1.25 0.00 0.00 0.00 179.25 180.41 1fdj h LEU 2310N 0.60 -0.20 -1.61 0.00 6.46 -1.09 -0.95 115.31 118.51 1fdj h LEU 2310Ca 0.29 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1fdj h LEU 2310Cb 0.22 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1fdj h LEU 2310CO -0.20 -0.06 0.24 0.00 -0.62 0.00 0.00 178.44 177.79 1fdj h ALA 2311N 0.48 1.72 0.00 1.25 0.00 -0.82 -1.98 119.26 119.90 1fdj h ALA 2311Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1fdj h ALA 2311Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1fdj h ALA 2311CO 0.04 0.26 -0.78 0.00 0.00 0.00 0.00 179.25 178.77 1fdj h ALA 2312N 1.75 0.62 0.63 0.00 0.00 -0.53 -3.33 119.26 118.40 1fdj h ALA 2312Ca 0.14 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1fdj h ALA 2312Cb -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1fdj h ALA 2312CO -0.03 0.98 -0.30 2.35 0.00 0.00 0.00 179.25 182.25 1fdj h TRP 2313N 0.00 -0.78 0.00 0.00 7.01 -0.44 -3.44 115.95 118.30 1fdj h TRP 2313Ca -0.01 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1fdj h TRP 2313Cb 1.46 0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.78 1fdj h TRP 2313CO 0.00 -0.48 0.00 0.41 -2.79 0.00 0.00 178.44 175.58 1fdj n GLY 2314N -0.38 0.26 1.24 2.65 0.00 -0.95 -2.45 105.19 105.55 1fdj n GLY 2314Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fdj n GLY 2314CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fdj n GLY 2315N -1.04 1.36 3.69 -0.02 0.00 -1.26 -4.87 105.19 103.05 1fdj n GLY 2315Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1fdj n GLY 2315CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fdj s LYS 2316N -0.60 4.38 0.50 1.61 1.02 -1.03 -4.95 119.74 120.68 1fdj s LYS 2316Ca 0.00 0.97 0.20 0.00 0.02 0.00 0.00 55.97 57.15 1fdj s LYS 2316Cb 0.00 -3.51 1.29 0.00 -0.52 0.00 0.00 37.83 35.09 1fdj s LYS 2316CO 0.00 -0.12 2.09 0.00 -0.92 0.00 0.00 175.35 176.40 1fdj h ALA 2317N 7.04 1.68 0.00 5.17 0.00 -1.96 -2.03 119.26 129.16 1fdj h ALA 2317Ca -0.36 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1fdj h ALA 2317Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1fdj h ALA 2317CO 0.79 0.12 0.00 1.05 0.00 0.00 0.00 179.25 181.20 1fdj h GLU 2318N 0.00 0.00 -0.75 0.00 4.11 -1.93 -2.82 114.58 113.18 1fdj h GLU 2318Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1fdj h GLU 2318Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1fdj h GLU 2318CO 0.01 0.00 0.05 0.09 0.07 0.00 0.00 179.01 179.23 1fdj n ASN 2319N -2.43 4.07 -0.17 3.06 3.02 -0.76 -4.51 115.26 117.53 1fdj n ASN 2319Ca 0.00 -2.66 -0.02 0.00 -0.03 0.00 0.00 54.58 51.87 1fdj n ASN 2319Cb 0.17 -0.64 0.08 0.00 -0.61 0.00 0.00 39.78 38.79 1fdj n ASN 2319CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1fdj h LYS 2320N 2.42 0.34 0.89 3.52 3.64 -1.69 -2.25 116.57 123.44 1fdj h LYS 2320Ca 0.05 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1fdj h LYS 2320Cb 1.56 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 33.32 1fdj h LYS 2320CO 0.37 0.22 -0.43 0.87 -2.27 0.00 0.00 179.45 178.21 1fdj h LYS 2321N 0.35 -1.16 -0.45 1.90 6.56 -1.89 -1.08 116.57 120.81 1fdj h LYS 2321Ca 0.26 0.08 0.13 0.00 -1.06 0.00 0.00 60.65 60.06 1fdj h LYS 2321Cb 0.31 0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 1fdj h LYS 2321CO -0.28 -0.77 0.33 0.00 -2.06 0.00 0.00 179.45 176.67 1fdj h ALA 2322N -1.13 2.41 -0.11 3.86 0.00 -1.89 0.02 119.26 122.43 1fdj h ALA 2322Ca -0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1fdj h ALA 2322Cb 0.92 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1fdj h ALA 2322CO 0.20 -0.56 -0.57 1.15 0.00 0.00 0.00 179.25 179.48 1fdj h THR 2323N 0.00 1.35 -0.17 0.00 2.02 -1.15 -2.56 112.91 112.39 1fdj h THR 2323Ca 0.21 -1.87 -0.06 0.00 0.77 0.00 0.00 66.41 65.47 1fdj h THR 2323Cb 0.86 2.16 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1fdj h THR 2323CO -0.00 0.57 -0.12 1.56 0.37 0.00 0.00 175.52 177.90 1fdj h GLN 2324N 0.21 0.37 -0.68 6.66 4.20 0.19 -2.25 115.11 123.81 1fdj h GLN 2324Ca -0.04 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1fdj h GLN 2324Cb 1.21 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1fdj h GLN 2324CO 0.12 0.72 0.42 0.93 -0.67 0.00 0.00 178.83 180.34 1fdj h GLU 2325N 0.03 0.92 -0.38 1.46 5.08 -1.16 -0.42 114.58 120.12 1fdj h GLU 2325Ca 0.03 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1fdj h GLU 2325Cb 0.63 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1fdj h GLU 2325CO 0.03 0.65 0.24 0.00 -1.00 0.00 0.00 179.01 178.93 1fdj h ALA 2326N 1.22 0.48 0.20 3.43 0.00 -1.43 0.01 119.26 123.17 1fdj h ALA 2326Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1fdj h ALA 2326Cb -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1fdj h ALA 2326CO -0.05 -0.09 -0.10 0.35 0.00 0.00 0.00 179.25 179.37 1fdj h PHE 2327N 0.48 -0.25 -0.44 0.00 -0.00 -0.95 -2.30 116.94 113.48 1fdj h PHE 2327Ca 0.15 -0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.15 1fdj h PHE 2327Cb -0.02 0.08 -0.02 0.00 -0.00 0.00 0.00 35.95 35.98 1fdj h PHE 2327CO -0.06 -0.08 0.30 0.52 -0.00 0.00 0.00 178.31 178.99 1fdj h MET 2328N -0.37 0.42 -0.06 1.11 2.86 -0.96 -0.45 114.93 117.47 1fdj h MET 2328Ca -0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1fdj h MET 2328Cb 0.28 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1fdj h MET 2328CO 0.05 0.28 0.04 -0.22 1.06 0.00 0.00 176.91 178.11 1fdj h LYS 2329N 0.43 0.08 -0.19 1.72 1.63 -0.58 -1.13 116.57 118.53 1fdj h LYS 2329Ca 0.19 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.85 1fdj h LYS 2329Cb 0.19 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1fdj h LYS 2329CO -0.05 0.06 -0.41 0.00 -3.45 0.00 0.00 179.45 175.60 1fdj h ARG 2330N 0.07 0.45 -0.36 1.90 2.47 -0.82 -2.80 114.38 115.30 1fdj h ARG 2330Ca 0.02 -0.23 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 1fdj h ARG 2330Cb -0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1fdj h ARG 2330CO -0.00 0.79 -0.02 0.00 0.56 0.00 0.00 179.97 181.30 1fdj h ALA 2331N 1.18 1.30 0.15 0.04 0.00 -0.81 -2.50 119.26 118.62 1fdj h ALA 2331Ca 0.03 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 1fdj h ALA 2331Cb 0.89 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.54 1fdj h ALA 2331CO 0.07 0.47 -0.93 -0.39 0.00 0.00 0.00 179.25 178.48 1fdj h VAL 2332N 0.54 1.46 0.00 0.00 -1.51 -1.11 -2.95 116.25 112.68 1fdj h VAL 2332Ca 0.11 -2.53 -0.07 0.00 -1.23 0.00 0.00 66.70 62.99 1fdj h VAL 2332Cb 0.37 3.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.64 1fdj h VAL 2332CO 0.01 0.73 -0.33 -0.37 -1.23 0.00 0.00 177.57 176.38 1fdj h VAL 2333N -0.24 1.09 0.00 7.19 -1.51 -1.52 -1.15 116.25 120.11 1fdj h VAL 2333Ca -0.16 -1.18 -0.13 0.00 -1.23 0.00 0.00 66.70 64.00 1fdj h VAL 2333Cb 1.72 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 32.53 1fdj h VAL 2333CO 0.18 0.32 -0.61 0.78 -1.23 0.00 0.00 177.57 177.01 1fdj h ASN 2334N 0.00 0.00 0.46 4.19 2.35 -1.54 0.06 115.58 121.10 1fdj h ASN 2334Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.55 1fdj h ASN 2334Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1fdj h ASN 2334CO 0.04 0.61 -0.84 0.00 -1.65 0.00 0.00 177.43 175.60 1fdj h GLN 2336N 0.16 0.14 -0.84 0.00 4.20 -1.01 -2.99 115.11 114.78 1fdj h GLN 2336Ca -0.04 -0.07 0.12 0.00 0.06 0.00 0.00 58.65 58.71 1fdj h GLN 2336Cb 1.44 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.16 1fdj h GLN 2336CO 0.13 0.55 0.55 0.00 -0.67 0.00 0.00 178.83 179.39 1fdj h ALA 2337N 0.59 1.80 0.00 3.87 0.00 -0.93 0.20 119.26 124.78 1fdj h ALA 2337Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fdj h ALA 2337Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fdj h ALA 2337CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1fdj n ALA 2338N -2.44 1.47 0.39 0.00 0.00 -0.54 -1.20 120.51 118.19 1fdj n ALA 2338Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1fdj n ALA 2338Cb 0.39 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.62 1fdj n ALA 2338CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fdj n LYS 2339N -1.89 0.42 -1.19 0.00 5.02 0.61 -4.75 118.16 116.39 1fdj n LYS 2339Ca 0.02 -1.10 -0.07 0.00 -2.02 0.00 0.00 58.31 55.14 1fdj n LYS 2339Cb 0.14 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1fdj n LYS 2339CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fdj n GLY 2340N 0.54 0.82 1.96 0.72 0.00 -0.34 -4.87 105.19 104.03 1fdj n GLY 2340Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1fdj n GLY 2340CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fdj n GLN 2341N -1.93 4.23 -3.54 1.61 6.02 -0.66 -4.93 117.38 118.19 1fdj n GLN 2341Ca -0.07 -3.13 -0.37 0.00 -0.01 0.00 0.00 57.00 53.42 1fdj n GLN 2341Cb 0.32 -2.24 -0.07 0.00 1.02 0.00 0.00 30.24 29.27 1fdj n GLN 2341CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1fdj s TYR 2342N -2.91 3.52 -0.10 1.08 5.04 -1.25 -4.80 117.35 117.93 1fdj s TYR 2342Ca 0.55 0.68 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 1fdj s TYR 2342Cb 0.43 -2.32 0.01 0.00 0.35 0.00 0.00 41.96 40.44 1fdj s TYR 2342CO 0.15 0.34 -0.15 0.14 -1.34 0.00 0.00 175.55 174.68 1fdj s VAL 2343N 0.11 1.45 -0.24 3.14 -7.23 -1.26 -4.97 120.40 111.40 1fdj s VAL 2343Ca 0.19 -0.62 -0.07 0.00 -1.81 0.00 0.00 61.98 59.67 1fdj s VAL 2343Cb -0.14 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 1fdj s VAL 2343CO 0.06 0.43 0.05 -2.28 -0.31 0.00 0.00 175.10 173.06 1fdj s HIS 2344N 0.97 3.07 -0.68 2.82 2.46 -1.26 -5.04 115.29 117.62 1fdj s HIS 2344Ca -0.07 -0.46 -0.22 0.00 0.47 0.00 0.00 55.06 54.77 1fdj s HIS 2344Cb -0.15 -2.21 0.08 0.00 -0.13 0.00 0.00 32.58 30.17 1fdj s HIS 2344CO -0.01 -0.36 0.97 0.95 -2.47 0.00 0.00 174.74 173.82 1fdj s THR 2345N 1.53 4.39 0.00 0.89 -4.23 -1.26 -4.90 115.64 112.05 1fdj s THR 2345Ca 0.06 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1fdj s THR 2345Cb -0.15 -4.69 0.00 0.00 1.34 0.00 0.00 72.50 69.01 1fdj s THR 2345CO 0.03 -1.45 0.00 0.61 -0.54 0.00 0.00 174.62 173.27 1fdj n GLY 2346N 5.36 3.13 3.33 3.99 0.00 -1.26 -5.17 105.19 114.57 1fdj n GLY 2346Ca -0.01 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1fdj n GLY 2346CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fdj s SER 2347N 0.00 3.44 0.18 1.61 0.01 -1.26 -5.11 113.70 112.57 1fdj s SER 2347Ca 0.00 -0.41 -0.24 0.00 1.31 0.00 0.00 55.95 56.61 1fdj s SER 2347Cb 0.00 -0.98 0.06 0.00 0.21 0.00 0.00 66.02 65.32 1fdj s SER 2347CO 0.00 0.25 0.96 -0.55 0.41 0.00 0.00 173.24 174.31 1fdj s SER 2348N -0.20 -0.13 0.00 2.44 0.15 -1.26 -5.11 113.70 109.60 1fdj s SER 2348Ca -0.02 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1fdj s SER 2348Cb -0.13 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1fdj s SER 2348CO 0.03 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1fdj n GLY 2349N -0.52 1.84 2.97 9.45 0.00 -1.26 -5.06 105.19 112.61 1fdj n GLY 2349Ca -0.05 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1fdj n GLY 2349CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fdj s ALA 2350N -2.00 2.35 0.04 4.61 0.00 -1.26 -4.77 121.76 120.73 1fdj s ALA 2350Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1fdj s ALA 2350Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1fdj s ALA 2350CO 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 175.76 174.36 1fdj n ALA 2351N 4.50 0.00 -3.36 0.00 0.00 -1.26 -5.11 120.51 115.29 1fdj n ALA 2351Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1fdj n ALA 2351Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 1fdj n ALA 2351CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fdj s SER 2352N -1.86 -0.41 -0.05 0.00 0.15 -1.26 -4.99 113.70 105.28 1fdj s SER 2352Ca 0.00 0.78 -0.04 0.00 0.70 0.00 0.00 55.95 57.39 1fdj s SER 2352Cb 0.00 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1fdj s SER 2352CO 0.00 -0.14 0.08 0.41 1.20 0.00 0.00 173.24 174.78 1fdj n THR 2353N 3.16 -5.55 -2.70 6.45 -1.04 -1.26 -4.79 114.28 108.55 1fdj n THR 2353Ca -0.15 1.13 -0.08 0.00 -2.04 0.00 0.00 64.05 62.91 1fdj n THR 2353Cb 0.57 -3.89 0.10 0.00 -1.82 0.00 0.00 70.33 65.28 1fdj n THR 2353CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1fdj n GLN 2354N 2.16 1.17 0.04 -2.82 7.27 -1.26 -4.93 117.38 119.01 1fdj n GLN 2354Ca -0.13 -2.17 0.00 0.00 0.07 0.00 0.00 57.00 54.77 1fdj n GLN 2354Cb 0.20 -0.40 0.03 0.00 2.41 0.00 0.00 30.24 32.47 1fdj n GLN 2354CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1fdj n SER 2355N -0.40 0.03 -0.95 1.69 2.88 -1.26 -0.35 113.62 115.25 1fdj n SER 2355Ca 0.01 0.15 0.07 0.00 -1.33 0.00 0.00 58.87 57.78 1fdj n SER 2355Cb 0.83 -0.11 0.22 0.00 -0.75 0.00 0.00 64.21 64.40 1fdj n SER 2355CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1fdj n LEU 2356N -1.27 2.75 0.00 2.46 7.94 -1.26 -3.99 117.00 123.64 1fdj n LEU 2356Ca -0.00 -1.38 0.00 0.00 -1.11 0.00 0.00 56.01 53.52 1fdj n LEU 2356Cb 0.45 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1fdj n LEU 2356CO 0.00 0.63 0.00 0.49 -1.11 0.00 0.00 177.39 177.40 1fdj n PHE 2357N 0.85 0.00 -0.23 1.96 0.99 -0.81 -4.98 117.46 115.24 1fdj n PHE 2357Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.60 1fdj n PHE 2357Cb 0.46 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.95 1fdj n PHE 2357CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1fdj n THR 2358N 0.00 -0.33 0.00 4.37 -1.04 0.53 -4.41 114.28 113.39 1fdj n THR 2358Ca 0.00 1.40 0.00 0.00 -2.04 0.00 0.00 64.05 63.41 1fdj n THR 2358Cb 0.00 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 1fdj n THR 2358CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fdj n ALA 2359N -3.66 0.00 -0.93 2.41 0.00 -1.26 -4.94 120.51 112.13 1fdj n ALA 2359Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1fdj n ALA 2359Cb 0.22 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.70 1fdj n ALA 2359CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fdj n SER 2360N 0.00 -4.33 -1.45 0.00 2.88 -1.26 -4.89 113.62 104.57 1fdj n SER 2360Ca 0.00 0.09 0.03 0.00 -1.33 0.00 0.00 58.87 57.66 1fdj n SER 2360Cb 0.00 -0.60 0.30 0.00 -0.75 0.00 0.00 64.21 63.16 1fdj n SER 2360CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1fdj n TYR 2361N -2.76 1.63 -1.07 0.66 4.02 -1.26 -5.06 117.16 113.33 1fdj n TYR 2361Ca -0.02 -1.02 0.12 0.00 -0.01 0.00 0.00 57.90 56.97 1fdj n TYR 2361Cb 0.61 -0.48 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 1fdj n TYR 2361CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1fdj n THR 2362N -0.24 0.00 -0.36 -0.72 -1.04 -1.26 -5.25 114.28 105.42 1fdj n THR 2362Ca 0.30 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1fdj n THR 2362Cb 1.12 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1fdj n THR 2362CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21