#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pck n PHE 2004N 0.00 2.76 -3.96 5.58 -0.00 -1.25 -4.65 117.46 115.93 1pck n PHE 2004Ca 0.00 0.34 -0.36 0.00 -0.00 0.00 0.00 57.45 57.42 1pck n PHE 2004Cb 0.00 -2.55 -0.07 0.00 -0.00 0.00 0.00 39.48 36.85 1pck n PHE 2004CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1pck s LEU 2005N -0.77 4.18 -0.23 -2.13 2.96 -0.64 -0.71 118.68 121.34 1pck s LEU 2005Ca 0.62 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1pck s LEU 2005Cb -0.52 -2.02 0.06 0.00 0.50 0.00 0.00 46.19 44.22 1pck s LEU 2005CO 0.53 0.36 -0.01 -0.69 -1.32 0.00 0.00 176.35 175.22 1pck s VAL 2006N -0.75 1.18 -0.31 1.68 1.01 -0.61 -0.48 120.40 122.13 1pck s VAL 2006Ca 0.13 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1pck s VAL 2006Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1pck s VAL 2006CO 0.03 -0.19 0.19 -0.63 0.00 0.00 0.00 175.10 174.50 1pck s ILE 2007N 1.55 5.06 0.08 2.22 1.01 -0.07 -1.23 121.20 129.82 1pck s ILE 2007Ca -0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 1pck s ILE 2007Cb -0.18 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1pck s ILE 2007CO -0.08 0.12 0.20 0.00 0.00 0.00 0.00 174.94 175.18 1pck s ALA 2008N 1.70 -0.29 0.00 9.38 0.00 -0.47 -0.57 121.76 131.51 1pck s ALA 2008Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1pck s ALA 2008Cb -0.17 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1pck s ALA 2008CO 0.09 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1pck n GLY 2009N 0.07 0.60 3.77 0.00 0.00 -1.15 -0.88 105.19 107.61 1pck n GLY 2009Ca -0.16 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1pck n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pck s PRO 2010N -1.82 4.09 0.14 1.61 0.04 -0.96 -0.43 135.00 137.67 1pck s PRO 2010Ca 0.00 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 1pck s PRO 2010Cb 0.00 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1pck s PRO 2010CO 0.00 -0.26 1.60 0.00 0.04 0.00 0.00 177.00 178.37 1pck s ALA 2012N -5.96 2.38 -1.26 0.00 0.00 -1.26 -1.34 121.76 114.32 1pck s ALA 2012Ca -0.15 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1pck s ALA 2012Cb 0.11 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.92 1pck s ALA 2012CO 0.66 0.49 1.75 0.42 0.00 0.00 0.00 175.76 179.08 1pck s ILE 2013N -1.27 4.02 0.22 0.00 1.01 -0.44 -4.70 121.20 120.03 1pck s ILE 2013Ca 0.16 -1.68 0.31 0.00 0.00 0.00 0.00 60.65 59.44 1pck s ILE 2013Cb -0.09 -5.09 0.34 0.00 0.01 0.00 0.00 42.46 37.63 1pck s ILE 2013CO 0.07 -1.87 2.00 -0.33 0.00 0.00 0.00 174.94 174.82 1pck h GLU 2014N 8.08 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 125.16 1pck h GLU 2014Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1pck h GLU 2014Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1pck h GLU 2014CO 1.42 0.07 0.00 -1.13 -1.00 0.00 0.00 179.01 178.38 1pck n SER 2015N -3.25 0.00 0.26 1.42 3.41 -1.26 -4.99 113.62 109.21 1pck n SER 2015Ca -0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1pck n SER 2015Cb 0.30 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.92 1pck n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1pck h GLU 2016N 0.00 0.00 -0.62 4.33 4.11 -1.93 -1.51 114.58 118.96 1pck h GLU 2016Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1pck h GLU 2016Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1pck h GLU 2016CO 0.00 0.10 0.31 1.49 0.07 0.00 0.00 179.01 180.97 1pck h GLU 2017N 0.00 0.88 -0.57 1.06 4.81 -1.98 -0.96 114.58 117.82 1pck h GLU 2017Ca -0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1pck h GLU 2017Cb 0.20 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1pck h GLU 2017CO 0.01 0.70 0.27 1.25 -0.73 0.00 0.00 179.01 180.52 1pck h LEU 2018N 0.85 0.74 -1.20 1.64 5.85 -1.67 -1.74 115.31 119.78 1pck h LEU 2018Ca 0.21 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1pck h LEU 2018Cb 0.10 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1pck h LEU 2018CO -0.03 0.66 0.26 -0.07 -0.34 0.00 0.00 178.44 178.93 1pck h LEU 2019N 0.77 0.74 -0.35 2.25 3.38 -1.11 -1.65 115.31 119.34 1pck h LEU 2019Ca 0.19 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1pck h LEU 2019Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1pck h LEU 2019CO -0.02 0.64 -0.15 -0.07 0.09 0.00 0.00 178.44 178.93 1pck h LEU 2020N 0.82 0.73 -0.29 1.67 3.38 -0.75 0.65 115.31 121.52 1pck h LEU 2020Ca 0.20 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1pck h LEU 2020Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pck h LEU 2020CO -0.02 0.97 0.12 0.50 0.09 0.00 0.00 178.44 180.09 1pck h LYS 2021N 0.49 0.43 -0.22 1.13 3.64 -1.04 0.20 116.57 121.20 1pck h LYS 2021Ca 0.08 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1pck h LYS 2021Cb 0.68 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1pck h LYS 2021CO 0.05 0.44 -0.50 0.28 -2.27 0.00 0.00 179.45 177.45 1pck h VAL 2022N 0.32 1.31 -0.26 2.00 2.07 -1.27 -2.94 116.25 117.48 1pck h VAL 2022Ca 0.10 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1pck h VAL 2022Cb 0.16 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1pck h VAL 2022CO -0.01 0.54 0.04 1.23 0.02 0.00 0.00 177.57 179.39 1pck h GLY 2023N 1.02 0.41 1.08 2.17 0.00 0.64 -1.26 103.07 107.13 1pck h GLY 2023Ca 0.02 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1pck h GLY 2023CO 0.10 0.19 0.04 -2.09 0.00 0.00 0.00 176.54 174.78 1pck h GLU 2024N 0.37 1.09 -0.20 4.80 4.81 -0.78 -0.06 114.58 124.62 1pck h GLU 2024Ca 0.09 -0.33 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 1pck h GLU 2024Cb 0.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1pck h GLU 2024CO -0.00 1.04 -0.45 1.49 -0.73 0.00 0.00 179.01 180.36 1pck h GLU 2025N 1.00 0.65 -0.12 1.92 4.57 -1.39 -1.88 114.58 119.33 1pck h GLU 2025Ca 0.18 -0.44 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 1pck h GLU 2025Cb 0.52 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 1pck h GLU 2025CO 0.02 1.06 -0.24 0.82 -1.18 0.00 0.00 179.01 179.50 1pck h ILE 2026N 0.34 1.22 -0.41 2.32 2.04 -1.15 -0.82 117.51 121.05 1pck h ILE 2026Ca -0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1pck h ILE 2026Cb 1.06 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1pck h ILE 2026CO 0.10 0.31 -0.05 0.50 0.00 0.00 0.00 178.15 179.01 1pck h LYS 2027N 0.19 0.76 0.07 2.37 1.63 -0.89 0.02 116.57 120.71 1pck h LYS 2027Ca 0.03 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1pck h LYS 2027Cb 0.52 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1pck h LYS 2027CO 0.04 0.87 -0.03 -0.09 -3.45 0.00 0.00 179.45 176.78 1pck h ARG 2028N 0.58 -0.09 -0.34 1.90 2.43 -0.66 -1.63 114.38 116.56 1pck h ARG 2028Ca 0.11 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1pck h ARG 2028Cb 0.56 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1pck h ARG 2028CO 0.03 -0.06 0.11 -0.07 -1.51 0.00 0.00 179.97 178.48 1pck h LEU 2029N -0.09 0.44 -1.31 3.80 -0.00 -1.11 -1.18 115.31 115.86 1pck h LEU 2029Ca -0.01 -0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1pck h LEU 2029Cb 0.07 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 40.58 1pck h LEU 2029CO 0.02 0.43 0.48 -1.28 -0.00 0.00 0.00 178.44 178.08 1pck h SER 2030N 0.49 0.78 1.39 -0.43 0.87 -0.26 0.26 113.55 116.66 1pck h SER 2030Ca 0.12 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1pck h SER 2030Cb 0.14 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1pck h SER 2030CO -0.01 0.55 -0.61 -0.33 -0.53 0.00 0.00 176.83 175.91 1pck h GLU 2031N 0.92 0.00 0.25 2.24 4.39 -0.35 -3.32 114.58 118.70 1pck h GLU 2031Ca 0.28 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.65 1pck h GLU 2031Cb 0.00 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1pck h GLU 2031CO -0.08 0.60 -1.46 -0.22 -1.16 0.00 0.00 179.01 176.70 1pck h LYS 2032N 0.00 0.52 -3.15 2.33 3.64 -0.25 -3.39 116.57 116.28 1pck h LYS 2032Ca -0.01 -0.89 -0.71 0.00 -1.27 0.00 0.00 60.65 57.78 1pck h LYS 2032Cb 1.47 0.33 -0.35 0.00 -0.41 0.00 0.00 32.23 33.27 1pck h LYS 2032CO 0.08 1.43 -0.03 1.19 -2.27 0.00 0.00 179.45 179.84 1pck n PHE 2033N -3.74 3.99 0.31 1.91 3.01 0.82 -4.89 117.46 118.86 1pck n PHE 2033Ca -0.17 -3.97 0.21 0.00 1.01 0.00 0.00 57.45 54.53 1pck n PHE 2033Cb 1.09 -1.10 0.99 0.00 -0.01 0.00 0.00 39.48 40.45 1pck n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1pck h LYS 2034N 5.73 0.00 -0.00 -1.08 1.79 -1.76 -2.11 116.57 119.14 1pck h LYS 2034Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1pck h LYS 2034Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1pck h LYS 2034CO 0.91 0.00 -0.07 -1.91 -1.08 0.00 0.00 179.45 177.30 1pck n GLU 2035N -3.09 0.24 -4.20 3.15 4.07 -1.26 -4.80 120.64 114.76 1pck n GLU 2035Ca -0.01 -0.04 -0.36 0.00 -0.06 0.00 0.00 57.16 56.69 1pck n GLU 2035Cb 0.17 -1.50 -0.08 0.00 -0.06 0.00 0.00 31.44 29.97 1pck n GLU 2035CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1pck s VAL 2036N -2.78 4.71 -0.41 6.31 1.01 -0.80 -3.95 120.40 124.50 1pck s VAL 2036Ca 0.21 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1pck s VAL 2036Cb 0.19 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1pck s VAL 2036CO 0.52 0.60 0.44 -0.70 0.00 0.00 0.00 175.10 175.96 1pck s GLU 2037N -0.83 3.17 0.09 2.72 2.12 0.11 -4.99 118.70 121.08 1pck s GLU 2037Ca 0.13 -0.69 -0.15 0.00 0.36 0.00 0.00 54.97 54.61 1pck s GLU 2037Cb -0.12 -3.95 -0.06 0.00 0.26 0.00 0.00 34.13 30.26 1pck s GLU 2037CO 0.03 -0.82 0.51 -0.06 -0.54 0.00 0.00 175.26 174.38 1pck s PHE 2038N 2.16 3.69 -0.07 5.30 0.40 -1.26 -1.57 117.98 126.63 1pck s PHE 2038Ca 0.13 1.09 -0.00 0.00 -0.60 0.00 0.00 56.93 57.54 1pck s PHE 2038Cb -0.17 -2.37 0.03 0.00 0.51 0.00 0.00 43.02 41.02 1pck s PHE 2038CO 0.14 0.53 -0.03 0.08 0.70 0.00 0.00 175.22 176.63 1pck s VAL 2039N -1.28 0.58 -0.02 -0.44 1.01 -0.36 -4.11 120.40 115.77 1pck s VAL 2039Ca 0.32 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1pck s VAL 2039Cb -0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1pck s VAL 2039CO 0.18 0.28 0.97 0.12 0.00 0.00 0.00 175.10 176.65 1pck s PHE 2040N 1.63 3.63 0.01 5.22 5.36 -0.06 -1.36 117.98 132.41 1pck s PHE 2040Ca 0.01 1.66 0.06 0.00 -0.96 0.00 0.00 56.93 57.70 1pck s PHE 2040Cb -0.13 -3.12 -0.02 0.00 -0.34 0.00 0.00 43.02 39.41 1pck s PHE 2040CO -0.04 -0.05 -0.19 0.21 -1.46 0.00 0.00 175.22 173.68 1pck s LYS 2041N 1.20 1.43 -0.28 10.12 2.36 -0.06 -1.26 119.74 133.24 1pck s LYS 2041Ca 0.51 -0.79 -0.25 0.00 -2.55 0.00 0.00 55.97 52.89 1pck s LYS 2041Cb -0.20 -1.45 0.14 0.00 -1.05 0.00 0.00 37.83 35.27 1pck s LYS 2041CO 0.26 0.38 1.13 0.45 1.55 0.00 0.00 175.35 179.12 1pck s SER 2042N -0.79 -0.35 -0.08 1.43 0.15 -1.18 -3.31 113.70 109.57 1pck s SER 2042Ca 0.07 0.67 -0.17 0.00 0.70 0.00 0.00 55.95 57.23 1pck s SER 2042Cb -0.08 0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 64.86 1pck s SER 2042CO 0.00 -0.12 0.43 -0.44 1.20 0.00 0.00 173.24 174.32 1pck s SER 2043N 0.15 6.70 0.15 5.45 0.01 -0.45 -4.50 113.70 121.21 1pck s SER 2043Ca 0.04 0.83 0.26 0.00 1.31 0.00 0.00 55.95 58.40 1pck s SER 2043Cb -0.05 -2.26 0.81 0.00 0.21 0.00 0.00 66.02 64.72 1pck s SER 2043CO -0.08 0.12 1.72 2.22 0.41 0.00 0.00 173.24 177.63 1pck n PHE 2044N 3.02 0.67 -3.66 2.43 1.16 -1.26 -1.33 117.46 118.49 1pck n PHE 2044Ca -0.10 0.20 -0.08 0.00 -1.87 0.00 0.00 57.45 55.60 1pck n PHE 2044Cb 0.52 -0.79 -0.08 0.00 -1.61 0.00 0.00 39.48 37.51 1pck n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1pck s ASP 2045N -4.15 -0.81 -0.89 5.98 2.15 -1.25 -3.64 116.67 114.06 1pck s ASP 2045Ca 0.11 1.32 -0.15 0.00 0.43 0.00 0.00 52.55 54.26 1pck s ASP 2045Cb 0.14 1.20 0.20 0.00 -0.30 0.00 0.00 42.92 44.15 1pck s ASP 2045CO 0.61 -0.23 0.91 -0.54 -0.17 0.00 0.00 175.17 175.75 1pck s LYS 2046N 1.57 3.67 0.00 4.34 -0.14 0.90 -4.86 119.74 125.21 1pck s LYS 2046Ca -0.10 -2.35 0.26 0.00 -1.36 0.00 0.00 55.97 52.42 1pck s LYS 2046Cb -0.06 -4.58 1.27 0.00 -1.68 0.00 0.00 37.83 32.77 1pck s LYS 2046CO -0.18 -1.42 1.88 0.00 -0.76 0.00 0.00 175.35 174.87 1pck n ALA 2047N 4.57 2.28 -1.76 5.17 0.00 -1.26 -3.96 120.51 125.56 1pck n ALA 2047Ca 0.18 -0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1pck n ALA 2047Cb 0.47 -1.43 0.17 0.00 0.00 0.00 0.00 19.45 18.66 1pck n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pck n ASN 2048N -1.35 1.58 -4.73 0.00 2.04 -1.26 -5.08 115.26 106.47 1pck n ASN 2048Ca 0.11 -3.53 -0.36 0.00 -0.44 0.00 0.00 54.58 50.35 1pck n ASN 2048Cb 0.24 -0.48 0.08 0.00 -2.53 0.00 0.00 39.78 37.08 1pck n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1pck s ARG 2049N -2.62 2.41 0.10 -3.83 1.81 -1.25 -4.92 118.95 110.64 1pck s ARG 2049Ca 0.37 2.00 -0.15 0.00 -1.72 0.00 0.00 55.73 56.23 1pck s ARG 2049Cb 0.37 -1.84 -0.07 0.00 -0.45 0.00 0.00 34.95 32.97 1pck s ARG 2049CO -0.09 -1.69 1.47 0.77 -0.68 0.00 0.00 175.30 175.08 1pck h SER 2050N 0.30 0.68 -2.71 0.23 0.02 -1.97 -3.44 113.55 106.66 1pck h SER 2050Ca -0.50 -0.41 -0.66 0.00 -0.84 0.00 0.00 61.79 59.38 1pck h SER 2050Cb 1.33 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 1pck h SER 2050CO 0.52 0.93 -0.49 -0.55 -1.14 0.00 0.00 176.83 176.10 1pck s SER 2051N -6.35 6.34 0.59 3.07 0.15 -1.26 -4.98 113.70 111.26 1pck s SER 2051Ca -0.13 0.43 0.37 0.00 0.70 0.00 0.00 55.95 57.32 1pck s SER 2051Cb 0.09 -2.03 1.71 0.00 -1.71 0.00 0.00 66.02 64.08 1pck s SER 2051CO 0.80 0.37 2.11 -0.29 1.20 0.00 0.00 173.24 177.44 1pck h ILE 2052N 3.70 0.03 -0.02 6.45 6.09 -2.03 -2.57 117.51 129.17 1pck h ILE 2052Ca -0.53 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 62.60 1pck h ILE 2052Cb 1.22 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.86 1pck h ILE 2052CO 0.61 0.01 0.00 1.41 -3.07 0.00 0.00 178.15 177.10 1pck n HIS 2053N -3.11 0.00 -2.16 2.19 8.25 -1.26 -4.95 115.22 114.18 1pck n HIS 2053Ca -0.01 -0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1pck n HIS 2053Cb 0.23 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.36 1pck n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pck s SER 2054N -2.00 5.99 0.14 0.41 0.01 -0.97 -5.02 113.70 112.27 1pck s SER 2054Ca 0.36 1.12 -0.31 0.00 1.31 0.00 0.00 55.95 58.43 1pck s SER 2054Cb 0.21 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 64.16 1pck s SER 2054CO 0.33 -0.91 1.50 0.12 0.41 0.00 0.00 173.24 174.69 1pck s PHE 2055N -3.06 3.12 -0.14 2.43 5.36 -1.26 -4.92 117.98 119.50 1pck s PHE 2055Ca 0.53 0.75 -0.01 0.00 -0.96 0.00 0.00 56.93 57.23 1pck s PHE 2055Cb -0.11 -3.83 -0.08 0.00 -0.34 0.00 0.00 43.02 38.66 1pck s PHE 2055CO 0.50 -3.02 -0.14 0.54 -1.46 0.00 0.00 175.22 171.63 1pck n ARG 2056N 4.02 0.33 -0.43 10.12 1.74 -1.26 -4.68 116.66 126.50 1pck n ARG 2056Ca 0.13 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1pck n ARG 2056Cb 0.40 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1pck n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pck n GLY 2057N 2.62 0.75 1.19 -0.13 0.00 -1.26 -0.07 105.19 108.29 1pck n GLY 2057Ca -0.25 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.01 1pck n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pck n HIS 2058N 9.00 1.28 0.00 1.61 8.25 -1.25 -5.03 115.22 129.07 1pck n HIS 2058Ca 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 1pck n HIS 2058Cb 0.00 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1pck n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pck n GLY 2059N -0.13 -0.03 0.22 -1.41 0.00 -1.24 -4.34 105.19 98.26 1pck n GLY 2059Ca 0.23 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1pck n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pck h LEU 2060N 0.00 0.70 -0.14 0.99 5.85 -1.99 -2.34 115.31 118.38 1pck h LEU 2060Ca 0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1pck h LEU 2060Cb 0.00 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1pck h LEU 2060CO 0.00 0.84 0.07 -0.33 -0.34 0.00 0.00 178.44 178.67 1pck h GLU 2061N 0.53 0.20 -0.69 1.25 5.08 -1.97 0.15 114.58 119.13 1pck h GLU 2061Ca 0.11 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1pck h GLU 2061Cb 0.49 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1pck h GLU 2061CO 0.02 0.26 0.30 -0.92 -1.00 0.00 0.00 179.01 177.67 1pck h TYR 2062N 0.09 1.00 0.04 4.33 3.20 -1.75 -1.87 116.97 122.02 1pck h TYR 2062Ca 0.05 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1pck h TYR 2062Cb 0.13 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.09 1pck h TYR 2062CO -0.03 0.75 -0.02 0.78 -1.64 0.00 0.00 178.16 178.00 1pck h GLY 2063N 1.06 -0.06 1.70 1.82 0.00 -1.12 -1.75 103.07 104.71 1pck h GLY 2063Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1pck h GLY 2063CO -0.03 -0.02 0.15 -2.08 0.00 0.00 0.00 176.54 174.56 1pck h VAL 2064N -0.39 1.10 0.08 4.60 2.07 -0.91 -0.58 116.25 122.21 1pck h VAL 2064Ca -0.01 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1pck h VAL 2064Cb 0.36 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1pck h VAL 2064CO 0.01 0.11 -0.04 0.50 0.02 0.00 0.00 177.57 178.17 1pck h LYS 2065N 0.40 -0.10 -0.77 1.57 3.64 -1.21 0.08 116.57 120.18 1pck h LYS 2065Ca 0.10 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1pck h LYS 2065Cb 0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1pck h LYS 2065CO -0.02 0.12 0.31 0.00 -2.27 0.00 0.00 179.45 177.59 1pck h ALA 2066N 0.59 1.08 -0.23 5.00 0.00 -0.83 -1.71 119.26 123.16 1pck h ALA 2066Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1pck h ALA 2066Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pck h ALA 2066CO 0.02 0.65 -0.23 -0.07 0.00 0.00 0.00 179.25 179.62 1pck h LEU 2067N 1.13 0.43 -0.78 0.00 3.38 -1.02 -2.00 115.31 116.45 1pck h LEU 2067Ca 0.26 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1pck h LEU 2067Cb 0.22 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1pck h LEU 2067CO -0.02 0.66 0.16 -0.09 0.09 0.00 0.00 178.44 179.24 1pck h ARG 2068N 0.39 1.08 -0.70 1.13 2.43 -0.41 -2.17 114.38 116.12 1pck h ARG 2068Ca 0.06 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 1pck h ARG 2068Cb 0.61 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1pck h ARG 2068CO 0.04 0.95 0.28 -0.22 -1.51 0.00 0.00 179.97 179.51 1pck h LYS 2069N 1.03 1.03 -0.16 0.20 1.63 -0.64 -0.65 116.57 119.01 1pck h LYS 2069Ca 0.21 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1pck h LYS 2069Cb 0.36 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1pck h LYS 2069CO 0.00 0.84 0.00 0.28 -3.45 0.00 0.00 179.45 177.13 1pck h VAL 2070N 1.01 1.25 -0.59 2.00 2.07 -1.01 -0.21 116.25 120.77 1pck h VAL 2070Ca 0.24 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1pck h VAL 2070Cb 0.20 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1pck h VAL 2070CO -0.02 0.25 0.26 0.50 0.02 0.00 0.00 177.57 178.58 1pck h LYS 2071N 0.03 0.86 -0.33 1.57 3.64 -1.19 -0.00 116.57 121.15 1pck h LYS 2071Ca 0.05 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 1pck h LYS 2071Cb 0.37 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1pck h LYS 2071CO 0.01 0.72 -0.42 0.93 -2.27 0.00 0.00 179.45 178.41 1pck h GLU 2072N 0.81 0.87 0.00 1.90 5.08 -1.09 0.49 114.58 122.64 1pck h GLU 2072Ca 0.20 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1pck h GLU 2072Cb 0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1pck h GLU 2072CO -0.02 1.14 -0.35 1.49 -1.00 0.00 0.00 179.01 180.27 1pck h GLU 2073N 0.67 0.00 0.00 2.33 4.81 -0.96 -3.38 114.58 118.05 1pck h GLU 2073Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1pck h GLU 2073Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1pck h GLU 2073CO 0.10 0.24 0.00 1.19 -0.73 0.00 0.00 179.01 179.81 1pck n PHE 2074N -3.12 0.00 -2.70 0.92 3.72 -0.02 -5.02 117.46 111.23 1pck n PHE 2074Ca 0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.25 1pck n PHE 2074Cb 0.64 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.20 1pck n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pck n GLY 2075N 0.61 -0.27 3.90 1.37 0.00 0.17 -5.00 105.19 105.96 1pck n GLY 2075Ca 0.00 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1pck n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pck s LEU 2076N -5.17 4.37 0.69 0.99 1.43 -1.24 -5.04 118.68 114.71 1pck s LEU 2076Ca 0.17 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.51 1pck s LEU 2076Cb -0.08 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1pck s LEU 2076CO 0.21 0.27 1.11 -0.54 0.23 0.00 0.00 176.35 177.63 1pck s LYS 2077N -1.85 2.63 0.13 1.70 1.02 -1.26 -4.40 119.74 117.71 1pck s LYS 2077Ca 0.26 1.33 0.09 0.00 0.02 0.00 0.00 55.97 57.67 1pck s LYS 2077Cb -0.13 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1pck s LYS 2077CO 0.17 -1.38 -0.20 0.42 -0.92 0.00 0.00 175.35 173.44 1pck s ILE 2078N -2.50 1.81 -0.16 2.17 -1.09 -1.26 -0.88 121.20 119.28 1pck s ILE 2078Ca 0.65 -1.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.22 1pck s ILE 2078Cb -0.20 -1.71 0.05 0.00 -1.58 0.00 0.00 42.46 39.02 1pck s ILE 2078CO 0.46 -0.15 0.43 0.28 -1.23 0.00 0.00 174.94 174.73 1pck s THR 2079N -1.50 -0.00 0.14 2.92 -1.32 -0.39 0.04 115.64 115.52 1pck s THR 2079Ca 0.11 0.02 -0.14 0.00 -1.21 0.00 0.00 61.69 60.46 1pck s THR 2079Cb -0.08 -0.61 0.02 0.00 -1.51 0.00 0.00 72.50 70.32 1pck s THR 2079CO 0.05 0.01 0.38 0.28 -2.21 0.00 0.00 174.62 173.13 1pck s THR 2080N 0.46 0.07 0.11 5.08 -1.32 -1.22 -3.09 115.64 115.74 1pck s THR 2080Ca -0.02 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 1pck s THR 2080Cb -0.04 -1.39 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 1pck s THR 2080CO -0.02 -0.31 0.27 1.51 -2.21 0.00 0.00 174.62 173.86 1pck s ASP 2081N -2.85 6.37 0.26 8.08 -4.77 -1.26 -1.24 116.67 121.25 1pck s ASP 2081Ca 0.07 0.28 0.09 0.00 -3.30 0.00 0.00 52.55 49.69 1pck s ASP 2081Cb 0.02 -1.96 -0.04 0.00 -1.09 0.00 0.00 42.92 39.85 1pck s ASP 2081CO -0.08 0.10 0.03 0.27 0.70 0.00 0.00 175.17 176.19 1pck s ILE 2082N -1.64 3.64 0.00 2.11 -4.36 -0.78 -4.78 121.20 115.39 1pck s ILE 2082Ca 0.36 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1pck s ILE 2082Cb -0.12 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1pck s ILE 2082CO 0.28 -0.35 0.00 1.41 0.24 0.00 0.00 174.94 176.52 1pck n HIS 2083N -0.88 0.00 -3.92 1.37 8.25 -1.26 -4.38 115.22 114.39 1pck n HIS 2083Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 1pck n HIS 2083Cb 0.58 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 1pck n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1pck s GLU 2084N -1.27 0.42 0.26 -0.41 2.02 -1.26 -5.07 118.70 113.38 1pck s GLU 2084Ca 0.00 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 1pck s GLU 2084Cb 0.00 0.16 0.56 0.00 0.10 0.00 0.00 34.13 34.95 1pck s GLU 2084CO 0.00 -0.09 1.66 0.77 0.02 0.00 0.00 175.26 177.62 1pck h SER 2085N 4.40 -0.08 -0.05 -0.19 0.02 -1.91 -1.76 113.55 113.98 1pck h SER 2085Ca -0.31 0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1pck h SER 2085Cb 1.20 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 64.00 1pck h SER 2085CO 0.41 -0.12 0.09 4.11 -1.14 0.00 0.00 176.83 180.18 1pck h TRP 2086N 0.21 0.00 0.00 3.45 5.08 -1.97 -2.31 115.95 120.40 1pck h TRP 2086Ca 0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.44 1pck h TRP 2086Cb 0.88 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1pck h TRP 2086CO -0.30 0.00 0.00 1.96 -1.28 0.00 0.00 178.44 178.82 1pck h GLN 2087N 0.00 0.00 0.05 0.12 4.20 -1.75 -3.36 115.11 114.38 1pck h GLN 2087Ca 0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1pck h GLN 2087Cb 0.20 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1pck h GLN 2087CO -0.00 0.00 -0.29 0.00 -0.67 0.00 0.00 178.83 177.87 1pck h ALA 2088N 2.03 -0.45 0.31 3.87 0.00 -1.56 -1.93 119.26 121.53 1pck h ALA 2088Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pck h ALA 2088Cb 0.73 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1pck h ALA 2088CO 0.00 -0.82 -0.27 1.49 0.00 0.00 0.00 179.25 179.66 1pck h GLU 2089N -0.47 -0.57 -0.33 0.00 4.81 -1.79 -0.65 114.58 115.57 1pck h GLU 2089Ca 0.05 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1pck h GLU 2089Cb 0.53 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1pck h GLU 2089CO -0.21 -0.38 0.03 -1.00 -0.73 0.00 0.00 179.01 176.71 1pck h PRO 2090N -0.59 0.49 -0.14 0.92 0.13 -1.76 -2.61 132.00 128.44 1pck h PRO 2090Ca -0.02 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.87 1pck h PRO 2090Cb 0.53 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1pck h PRO 2090CO -0.03 0.50 -0.55 0.28 -0.23 0.00 0.00 178.00 177.98 1pck h VAL 2091N 0.48 1.34 0.00 1.56 2.07 -1.21 -2.92 116.25 117.57 1pck h VAL 2091Ca 0.11 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1pck h VAL 2091Cb 0.27 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1pck h VAL 2091CO 0.00 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1pck h ALA 2092N 1.08 1.00 0.00 1.67 0.00 -0.71 -0.39 119.26 121.90 1pck h ALA 2092Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pck h ALA 2092Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pck h ALA 2092CO 0.10 0.00 -0.06 0.93 0.00 0.00 0.00 179.25 180.21 1pck h GLU 2093N 0.00 0.00 0.00 0.00 4.39 -1.49 -3.33 114.58 114.15 1pck h GLU 2093Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pck h GLU 2093Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1pck h GLU 2093CO 0.00 0.06 -0.85 0.28 -1.16 0.00 0.00 179.01 177.34 1pck n VAL 2094N -4.46 0.00 -2.39 3.13 0.31 -0.84 -5.04 118.33 109.04 1pck n VAL 2094Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 1pck n VAL 2094Cb 0.14 -0.74 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 1pck n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pck s ALA 2095N -1.85 3.60 0.17 3.52 0.00 -0.22 -4.49 121.76 122.49 1pck s ALA 2095Ca 0.00 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1pck s ALA 2095Cb 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1pck s ALA 2095CO 0.00 -1.03 1.39 -0.44 0.00 0.00 0.00 175.76 175.68 1pck h ASP 2096N 8.01 0.06 -3.27 0.00 3.32 -0.71 -3.43 116.42 120.39 1pck h ASP 2096Ca -0.31 -0.06 -0.51 0.00 0.02 0.00 0.00 57.03 56.18 1pck h ASP 2096Cb 1.13 -0.02 -0.36 0.00 0.22 0.00 0.00 39.33 40.31 1pck h ASP 2096CO 0.93 0.91 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.93 1pck s ILE 2097N -3.06 0.97 -0.17 0.35 1.01 -0.87 -2.36 121.20 117.08 1pck s ILE 2097Ca -0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 1pck s ILE 2097Cb 0.11 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1pck s ILE 2097CO 0.81 0.35 0.46 -0.63 0.00 0.00 0.00 174.94 175.92 1pck s ILE 2098N 1.37 5.17 -0.12 2.92 1.01 0.37 -3.39 121.20 128.54 1pck s ILE 2098Ca -0.02 0.86 -0.12 0.00 0.00 0.00 0.00 60.65 61.37 1pck s ILE 2098Cb -0.14 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1pck s ILE 2098CO -0.04 0.26 0.26 -1.58 0.00 0.00 0.00 174.94 173.84 1pck s GLN 2099N 1.12 3.94 -0.26 2.79 0.74 -0.37 -1.02 119.66 126.60 1pck s GLN 2099Ca 0.23 0.07 -0.07 0.00 0.05 0.00 0.00 55.36 55.64 1pck s GLN 2099Cb -0.15 -3.31 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1pck s GLN 2099CO 0.09 0.50 0.06 0.42 -0.55 0.00 0.00 175.29 175.80 1pck s ILE 2100N -0.31 4.06 0.59 -2.34 -1.09 -0.06 -1.87 121.20 120.18 1pck s ILE 2100Ca 0.17 -0.38 -0.19 0.00 -2.23 0.00 0.00 60.65 58.03 1pck s ILE 2100Cb -0.13 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 1pck s ILE 2100CO 0.05 0.27 0.93 -2.65 -1.23 0.00 0.00 174.94 172.32 1pck n PRO 2101N 4.89 0.88 -0.12 2.79 -0.02 -1.26 -1.36 135.00 140.80 1pck n PRO 2101Ca -0.16 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1pck n PRO 2101Cb 0.50 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1pck n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pck h ALA 2102N 0.50 0.45 0.00 3.55 0.00 -1.89 -1.11 119.26 120.76 1pck h ALA 2102Ca -0.48 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1pck h ALA 2102Cb 1.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1pck h ALA 2102CO 0.51 -0.26 -0.03 0.74 0.00 0.00 0.00 179.25 180.21 1pck h PHE 2103N 0.28 0.00 -0.52 0.00 0.04 -1.91 -2.79 116.94 112.04 1pck h PHE 2103Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1pck h PHE 2103Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1pck h PHE 2103CO -0.15 0.03 0.00 1.28 -0.60 0.00 0.00 178.31 178.86 1pck n LEU 2104N -3.26 4.01 0.00 1.54 4.77 -0.47 -4.62 117.00 118.96 1pck n LEU 2104Ca -0.02 -2.34 0.05 0.00 -0.03 0.00 0.00 56.01 53.67 1pck n LEU 2104Cb 0.17 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 41.00 1pck n LEU 2104CO 0.25 0.80 0.64 0.00 -1.33 0.00 0.00 177.39 177.74 1pck n ARG 2106N -1.47 1.11 -2.54 0.00 5.12 -1.26 -4.90 116.66 112.72 1pck n ARG 2106Ca 0.03 -1.39 -0.41 0.00 -1.93 0.00 0.00 57.85 54.15 1pck n ARG 2106Cb 0.10 -1.24 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1pck n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1pck s GLN 2107N -0.97 3.35 0.22 5.56 -1.52 -0.82 -4.90 119.66 120.58 1pck s GLN 2107Ca 0.16 -0.62 -0.14 0.00 -1.95 0.00 0.00 55.36 52.81 1pck s GLN 2107Cb 0.10 -4.72 0.26 0.00 -0.22 0.00 0.00 33.01 28.43 1pck s GLN 2107CO 0.15 -2.20 1.61 1.15 -0.25 0.00 0.00 175.29 175.75 1pck h THR 2108N 6.40 0.27 -0.13 -0.19 2.02 -1.90 -1.64 112.91 117.74 1pck h THR 2108Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1pck h THR 2108Cb 1.03 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1pck h THR 2108CO 1.35 0.00 -0.12 0.44 0.37 0.00 0.00 175.52 177.55 1pck h ASP 2109N -0.03 0.18 -0.28 4.18 3.32 -1.99 -0.32 116.42 121.49 1pck h ASP 2109Ca 0.32 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.21 1pck h ASP 2109Cb 0.52 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 1pck h ASP 2109CO -0.73 0.33 -0.34 0.25 -1.72 0.00 0.00 179.24 177.03 1pck h LEU 2110N 0.19 0.79 -0.32 1.55 5.85 -1.70 0.30 115.31 121.98 1pck h LEU 2110Ca 0.04 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1pck h LEU 2110Cb 0.34 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1pck h LEU 2110CO 0.02 1.13 0.06 -0.07 -0.34 0.00 0.00 178.44 179.24 1pck h LEU 2111N 0.48 0.49 -0.65 2.25 3.38 -1.07 -1.41 115.31 118.78 1pck h LEU 2111Ca 0.04 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1pck h LEU 2111Cb 0.93 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1pck h LEU 2111CO 0.08 0.61 0.12 -0.07 0.09 0.00 0.00 178.44 179.27 1pck h LEU 2112N 0.35 1.02 -0.74 1.67 3.38 -1.03 -0.20 115.31 119.76 1pck h LEU 2112Ca 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1pck h LEU 2112Cb 0.32 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1pck h LEU 2112CO 0.00 1.01 0.44 0.00 0.09 0.00 0.00 178.44 179.98 1pck h ALA 2113N 1.05 0.95 -0.32 1.53 0.00 -0.81 -0.00 119.26 121.65 1pck h ALA 2113Ca 0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1pck h ALA 2113Cb 0.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pck h ALA 2113CO 0.01 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.57 1pck h ALA 2114N 1.23 0.45 -0.76 0.00 0.00 -0.96 -3.11 119.26 116.10 1pck h ALA 2114Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pck h ALA 2114Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1pck h ALA 2114CO -0.05 0.33 0.42 0.00 0.00 0.00 0.00 179.25 179.95 1pck h ALA 2115N 0.78 1.30 0.00 0.00 0.00 -0.69 -2.82 119.26 117.84 1pck h ALA 2115Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pck h ALA 2115Cb 0.64 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pck h ALA 2115CO 0.04 0.57 -0.05 -0.22 0.00 0.00 0.00 179.25 179.60 1pck h LYS 2116N 1.06 0.00 0.00 0.00 3.64 -0.93 -2.61 116.57 117.73 1pck h LYS 2116Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1pck h LYS 2116Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1pck h LYS 2116CO -0.04 0.05 0.00 1.79 -2.27 0.00 0.00 179.45 178.97 1pck h THR 2117N 0.00 0.00 0.00 1.00 1.35 -1.52 -3.46 112.91 110.28 1pck h THR 2117Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1pck h THR 2117Cb 0.09 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1pck h THR 2117CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1pck n GLY 2118N -0.50 1.56 3.91 5.82 0.00 -0.98 -5.04 105.19 109.95 1pck n GLY 2118Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1pck n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pck s ARG 2119N -0.40 1.91 0.55 1.61 1.81 -1.26 -4.92 118.95 118.25 1pck s ARG 2119Ca 0.00 0.04 -0.17 0.00 -1.72 0.00 0.00 55.73 53.88 1pck s ARG 2119Cb 0.00 -1.97 -0.06 0.00 -0.45 0.00 0.00 34.95 32.47 1pck s ARG 2119CO 0.00 -1.61 1.03 0.00 -0.68 0.00 0.00 175.30 174.04 1pck s ALA 2120N -3.56 2.87 -0.06 2.13 0.00 -1.00 -4.76 121.76 117.39 1pck s ALA 2120Ca 0.62 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1pck s ALA 2120Cb -0.11 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1pck s ALA 2120CO 0.49 -0.52 -0.12 0.08 0.00 0.00 0.00 175.76 175.69 1pck s VAL 2121N -2.42 1.14 -0.24 0.00 1.01 -0.72 -0.48 120.40 118.70 1pck s VAL 2121Ca 0.63 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1pck s VAL 2121Cb -0.14 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.24 1pck s VAL 2121CO 0.31 0.36 -0.11 0.21 0.00 0.00 0.00 175.10 175.87 1pck s ASN 2122N 0.61 4.10 -0.23 3.32 3.04 -0.19 -0.66 114.94 124.94 1pck s ASN 2122Ca -0.14 -1.03 -0.09 0.00 0.04 0.00 0.00 52.86 51.65 1pck s ASN 2122Cb -0.15 -1.58 -0.04 0.00 -1.54 0.00 0.00 41.25 37.93 1pck s ASN 2122CO 0.04 -0.13 0.12 -0.69 -3.04 0.00 0.00 177.10 173.40 1pck s VAL 2123N 1.23 5.03 -0.03 -5.21 1.01 -0.23 -0.88 120.40 121.32 1pck s VAL 2123Ca -0.02 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1pck s VAL 2123Cb -0.17 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1pck s VAL 2123CO -0.07 0.37 1.19 -0.54 0.00 0.00 0.00 175.10 176.05 1pck s LYS 2124N 1.02 4.38 -0.03 2.72 -0.14 -0.46 -0.62 119.74 126.60 1pck s LYS 2124Ca 0.06 1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 56.05 1pck s LYS 2124Cb -0.14 -3.51 -0.05 0.00 -1.68 0.00 0.00 37.83 32.45 1pck s LYS 2124CO 0.04 -0.39 1.49 0.21 -0.76 0.00 0.00 175.35 175.94 1pck s LYS 2125N 1.91 4.23 0.53 1.68 2.20 -0.03 -3.98 119.74 126.28 1pck s LYS 2125Ca 0.56 2.04 -0.21 0.00 -0.36 0.00 0.00 55.97 58.00 1pck s LYS 2125Cb -0.25 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.26 1pck s LYS 2125CO 0.24 -0.70 1.04 0.41 -0.36 0.00 0.00 175.35 175.97 1pck n GLY 2126N 3.84 -0.13 0.03 5.54 0.00 -1.24 -4.59 105.19 108.63 1pck n GLY 2126Ca 0.15 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1pck n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pck n GLN 2127N -0.56 0.04 0.00 1.61 3.00 -1.26 -1.73 117.38 118.47 1pck n GLN 2127Ca 0.11 0.36 0.10 0.00 -0.01 0.00 0.00 57.00 57.56 1pck n GLN 2127Cb 0.44 -1.58 -0.05 0.00 0.00 0.00 0.00 30.24 29.05 1pck n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1pck n PHE 2128N -1.65 0.00 -3.45 1.08 1.16 -1.26 -1.23 117.46 112.10 1pck n PHE 2128Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.22 1pck n PHE 2128Cb 0.13 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.94 1pck n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1pck s LEU 2129N -2.58 4.49 0.40 5.98 2.96 -0.71 -5.06 118.68 124.16 1pck s LEU 2129Ca 0.13 1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 54.91 1pck s LEU 2129Cb 0.16 -2.66 -0.09 0.00 0.50 0.00 0.00 46.19 44.10 1pck s LEU 2129CO 0.63 0.31 0.84 0.00 -1.32 0.00 0.00 176.35 176.81 1pck s ALA 2130N -1.06 3.22 0.21 5.97 0.00 -1.26 -4.88 121.76 123.96 1pck s ALA 2130Ca 0.25 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 1pck s ALA 2130Cb -0.17 -2.91 0.28 0.00 0.00 0.00 0.00 23.12 20.32 1pck s ALA 2130CO 0.15 0.10 1.76 -1.35 0.00 0.00 0.00 175.76 176.42 1pck h PRO 2131N 1.70 0.48 0.00 0.00 0.11 -1.98 -1.48 132.00 130.84 1pck h PRO 2131Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1pck h PRO 2131Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1pck h PRO 2131CO 0.63 0.32 0.00 0.11 -0.21 0.00 0.00 178.00 178.85 1pck h TRP 2132N 0.50 0.00 -0.05 0.65 0.09 -1.93 -2.37 115.95 112.83 1pck h TRP 2132Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.29 1pck h TRP 2132Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.58 1pck h TRP 2132CO -0.13 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.15 1pck n ASP 2133N -2.75 0.69 0.06 0.11 8.00 -0.56 -3.11 116.55 118.99 1pck n ASP 2133Ca -0.00 -1.44 0.13 0.00 0.71 0.00 0.00 54.79 54.19 1pck n ASP 2133Cb 0.19 -0.03 0.38 0.00 -0.02 0.00 0.00 41.12 41.64 1pck n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pck n THR 2134N -0.37 0.35 -0.26 -3.53 -2.24 -0.89 -3.63 114.28 103.70 1pck n THR 2134Ca 0.17 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1pck n THR 2134Cb 0.19 -0.37 0.08 0.00 -2.10 0.00 0.00 70.33 68.13 1pck n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1pck h LYS 2135N 0.00 0.87 0.00 -0.78 3.64 -1.75 -1.34 116.57 117.21 1pck h LYS 2135Ca 0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1pck h LYS 2135Cb 0.66 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1pck h LYS 2135CO 0.00 0.57 -0.34 -0.91 -2.27 0.00 0.00 179.45 176.51 1pck h ASN 2136N 0.89 0.00 -0.34 4.20 -0.26 -1.82 -1.83 115.58 116.42 1pck h ASN 2136Ca 0.29 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 1pck h ASN 2136Cb 0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1pck h ASN 2136CO -0.11 0.34 0.04 0.58 -1.06 0.00 0.00 177.43 177.22 1pck h VAL 2137N 0.00 1.24 -0.45 2.81 2.07 -1.42 -2.17 116.25 118.32 1pck h VAL 2137Ca -0.00 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1pck h VAL 2137Cb 0.62 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1pck h VAL 2137CO 0.04 0.28 0.21 0.58 0.02 0.00 0.00 177.57 178.71 1pck h VAL 2138N 0.39 1.19 -0.67 2.57 2.07 -1.08 -2.62 116.25 118.09 1pck h VAL 2138Ca 0.10 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1pck h VAL 2138Cb 0.37 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1pck h VAL 2138CO 0.01 0.21 0.44 -0.08 0.02 0.00 0.00 177.57 178.17 1pck h GLU 2139N 0.59 0.65 -0.27 1.57 4.81 -1.17 -0.21 114.58 120.55 1pck h GLU 2139Ca 0.16 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1pck h GLU 2139Cb 0.13 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1pck h GLU 2139CO -0.02 0.43 0.06 0.87 -0.73 0.00 0.00 179.01 179.62 1pck h LYS 2140N 0.67 0.43 -0.70 1.92 1.57 -1.03 -1.28 116.57 118.15 1pck h LYS 2140Ca 0.29 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1pck h LYS 2140Cb 0.30 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1pck h LYS 2140CO -0.09 0.53 0.20 -0.07 -0.57 0.00 0.00 179.45 179.45 1pck h LEU 2141N 0.26 1.05 -0.45 2.94 3.38 -1.11 -0.46 115.31 120.92 1pck h LEU 2141Ca 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1pck h LEU 2141Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1pck h LEU 2141CO 0.00 0.99 0.14 0.11 0.09 0.00 0.00 178.44 179.77 1pck h LYS 2142N 1.05 0.69 -0.03 1.13 1.57 -0.97 0.03 116.57 120.03 1pck h LYS 2142Ca 0.22 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1pck h LYS 2142Cb 0.34 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1pck h LYS 2142CO -0.00 0.67 -0.07 0.35 -0.57 0.00 0.00 179.45 179.83 1pck h PHE 2143N 0.58 0.05 -0.00 -1.35 3.57 -0.98 -0.79 116.94 118.01 1pck h PHE 2143Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1pck h PHE 2143Cb 0.27 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1pck h PHE 2143CO 0.01 0.12 -0.02 0.41 -2.23 0.00 0.00 178.31 176.60 1pck n GLY 2144N -1.27 -1.30 0.00 2.40 0.00 -0.20 -4.91 105.19 99.90 1pck n GLY 2144Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1pck n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pck n GLY 2145N 1.34 0.54 3.77 -0.02 0.00 -0.30 -3.85 105.19 106.67 1pck n GLY 2145Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1pck n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pck s ALA 2146N -2.00 3.30 -0.01 4.61 0.00 -0.11 -4.94 121.76 122.61 1pck s ALA 2146Ca 0.00 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1pck s ALA 2146Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1pck s ALA 2146CO 0.00 -0.55 0.00 1.63 0.00 0.00 0.00 175.76 176.84 1pck n LYS 2147N 0.45 3.71 -3.69 0.00 5.02 -1.26 -4.34 118.16 118.05 1pck n LYS 2147Ca 0.02 -0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1pck n LYS 2147Cb 0.44 -1.03 -0.12 0.00 -0.02 0.00 0.00 35.03 34.31 1pck n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1pck s GLU 2148N -2.03 2.66 -0.06 1.97 2.12 -1.26 -5.07 118.70 117.03 1pck s GLU 2148Ca -0.01 -1.21 0.04 0.00 0.36 0.00 0.00 54.97 54.16 1pck s GLU 2148Cb 0.00 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1pck s GLU 2148CO 0.05 -0.73 -0.19 0.42 -0.54 0.00 0.00 175.26 174.27 1pck s ILE 2149N 1.44 1.61 0.12 -3.70 1.01 -1.26 -1.75 121.20 118.67 1pck s ILE 2149Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 59.96 1pck s ILE 2149Cb -0.20 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1pck s ILE 2149CO 0.04 0.46 -0.24 -0.31 0.00 0.00 0.00 174.94 174.89 1pck s TYR 2150N 0.23 2.07 -0.09 3.97 1.51 0.17 -2.71 117.35 122.50 1pck s TYR 2150Ca -0.10 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1pck s TYR 2150Cb -0.14 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1pck s TYR 2150CO 0.04 0.29 -0.17 -0.51 -1.11 0.00 0.00 175.55 174.09 1pck s LEU 2151N -2.03 1.82 -0.20 -1.29 1.43 -0.29 -1.06 118.68 117.06 1pck s LEU 2151Ca 0.11 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1pck s LEU 2151Cb -0.10 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1pck s LEU 2151CO 0.05 0.07 -0.04 -0.89 0.23 0.00 0.00 176.35 175.78 1pck s THR 2152N 0.62 3.60 -0.15 5.49 2.01 0.20 -1.31 115.64 126.11 1pck s THR 2152Ca -0.14 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1pck s THR 2152Cb -0.16 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1pck s THR 2152CO 0.04 0.44 1.05 -0.70 -0.69 0.00 0.00 174.62 174.77 1pck s GLU 2153N 1.08 4.35 -0.02 4.92 2.56 -0.11 -0.85 118.70 130.63 1pck s GLU 2153Ca 0.01 1.42 0.11 0.00 0.00 0.00 0.00 54.97 56.51 1pck s GLU 2153Cb -0.15 -3.59 0.18 0.00 2.00 0.00 0.00 34.13 32.58 1pck s GLU 2153CO 0.00 -0.47 1.08 2.89 -0.56 0.00 0.00 175.26 178.20 1pck n ARG 2154N 5.60 0.15 0.00 4.30 -4.01 -1.26 -0.70 116.66 120.74 1pck n ARG 2154Ca 0.10 -1.54 0.00 0.00 -1.04 0.00 0.00 57.85 55.37 1pck n ARG 2154Cb 0.47 -0.45 0.00 0.00 -3.04 0.00 0.00 32.46 29.45 1pck n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pck n GLY 2155N 0.02 1.63 3.16 2.89 0.00 -1.26 -3.85 105.19 107.78 1pck n GLY 2155Ca 0.04 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 1pck n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pck s THR 2156N -2.91 1.20 0.01 2.61 2.01 0.23 -4.32 115.64 114.48 1pck s THR 2156Ca 0.00 -0.97 -0.34 0.00 0.31 0.00 0.00 61.69 60.68 1pck s THR 2156Cb 0.00 -1.07 -0.13 0.00 0.01 0.00 0.00 72.50 71.31 1pck s THR 2156CO 0.00 0.09 1.72 0.41 -0.69 0.00 0.00 174.62 176.15 1pck n THR 2157N 2.02 0.30 -3.66 -0.82 -1.04 -0.37 -1.19 114.28 109.53 1pck n THR 2157Ca -0.17 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1pck n THR 2157Cb 0.55 -1.65 -0.12 0.00 -1.82 0.00 0.00 70.33 67.28 1pck n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1pck s PHE 2158N 2.59 1.86 0.00 -1.42 5.36 -0.74 -4.84 117.98 120.78 1pck s PHE 2158Ca 0.87 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 1pck s PHE 2158Cb -0.72 -1.72 0.00 0.00 -0.34 0.00 0.00 43.02 40.24 1pck s PHE 2158CO 0.46 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.86 1pck n GLY 2159N 3.38 -0.52 3.86 13.12 0.00 -1.26 -4.33 105.19 119.43 1pck n GLY 2159Ca 0.13 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1pck n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pck s TYR 2160N 0.00 3.64 -1.60 1.61 2.02 -1.26 -4.43 117.35 117.32 1pck s TYR 2160Ca 0.00 0.84 -0.16 0.00 -0.37 0.00 0.00 57.07 57.38 1pck s TYR 2160Cb 0.00 -2.18 0.12 0.00 -0.40 0.00 0.00 41.96 39.50 1pck s TYR 2160CO 0.00 0.58 0.89 0.09 -1.57 0.00 0.00 175.55 175.55 1pck n ASN 2161N 1.32 -4.20 -3.64 2.29 3.02 -1.26 -4.95 115.26 107.83 1pck n ASN 2161Ca -0.11 -0.86 -0.15 0.00 -0.03 0.00 0.00 54.58 53.43 1pck n ASN 2161Cb 0.52 -3.38 -0.08 0.00 -0.61 0.00 0.00 39.78 36.24 1pck n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1pck s ASN 2162N -3.26 -0.49 0.06 6.41 3.04 -1.26 -4.16 114.94 115.28 1pck s ASN 2162Ca 0.70 0.62 0.06 0.00 0.04 0.00 0.00 52.86 54.28 1pck s ASN 2162Cb -0.36 0.63 -0.03 0.00 -1.54 0.00 0.00 41.25 39.95 1pck s ASN 2162CO 0.86 -0.44 -0.18 -0.76 -3.04 0.00 0.00 177.10 173.54 1pck s LEU 2163N -0.83 2.21 0.05 3.21 1.43 -1.26 -1.80 118.68 121.69 1pck s LEU 2163Ca -0.09 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.54 1pck s LEU 2163Cb -0.03 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 1pck s LEU 2163CO 0.06 0.07 -0.20 0.54 0.23 0.00 0.00 176.35 177.05 1pck s VAL 2164N -0.95 1.62 -0.35 -1.59 0.11 -0.33 -4.85 120.40 114.06 1pck s VAL 2164Ca 0.04 -1.20 -0.12 0.00 -2.93 0.00 0.00 61.98 57.77 1pck s VAL 2164Cb -0.09 -1.42 -0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1pck s VAL 2164CO 0.02 0.17 0.22 -0.69 -3.33 0.00 0.00 175.10 171.50 1pck s VAL 2165N -0.83 4.99 -0.65 2.04 1.01 -1.26 -0.60 120.40 125.11 1pck s VAL 2165Ca 0.07 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.42 1pck s VAL 2165Cb -0.09 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.77 1pck s VAL 2165CO 0.02 -0.07 0.79 -0.62 0.00 0.00 0.00 175.10 175.22 1pck s ASP 2166N 1.66 6.25 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.66 1pck s ASP 2166Ca 0.05 -1.50 0.06 0.00 -0.52 0.00 0.00 52.55 50.64 1pck s ASP 2166Cb -0.18 -2.32 0.27 0.00 -1.46 0.00 0.00 42.92 39.23 1pck s ASP 2166CO 0.09 -1.13 1.07 0.49 0.52 0.00 0.00 175.17 176.20 1pck n PHE 2167N 6.44 0.00 0.29 -5.34 3.01 -1.26 -1.31 117.46 119.29 1pck n PHE 2167Ca -0.04 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.60 1pck n PHE 2167Cb 0.44 -0.35 0.82 0.00 -0.01 0.00 0.00 39.48 40.38 1pck n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pck h ARG 2168N 0.00 0.00 -0.26 -1.08 3.08 -2.03 -2.77 114.38 111.32 1pck h ARG 2168Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1pck h ARG 2168Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1pck h ARG 2168CO 0.00 0.03 -0.05 0.66 -1.07 0.00 0.00 179.97 179.54 1pck h SER 2169N 0.00 0.37 0.40 7.04 4.64 -1.62 -3.06 113.55 121.32 1pck h SER 2169Ca -0.00 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1pck h SER 2169Cb 0.38 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1pck h SER 2169CO 0.00 0.47 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.04 1pck h LEU 2170N 0.38 -0.86 -1.29 5.97 4.07 -1.71 -0.09 115.31 121.79 1pck h LEU 2170Ca 0.08 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 1pck h LEU 2170Cb 0.33 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1pck h LEU 2170CO 0.01 -0.48 -0.26 1.55 -1.08 0.00 0.00 178.44 178.19 1pck h PRO 2171N -0.72 0.15 0.04 1.13 0.13 -1.74 -2.20 132.00 128.78 1pck h PRO 2171Ca -0.03 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1pck h PRO 2171Cb 0.63 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1pck h PRO 2171CO -0.02 0.40 -0.02 0.82 -0.23 0.00 0.00 178.00 178.96 1pck h ILE 2172N 0.13 1.20 0.00 -3.56 2.04 -1.40 -3.16 117.51 112.77 1pck h ILE 2172Ca 0.02 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1pck h ILE 2172Cb 0.54 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1pck h ILE 2172CO 0.04 0.20 -0.21 0.24 0.00 0.00 0.00 178.15 178.42 1pck h MET 2173N -0.40 0.00 0.00 2.37 2.86 -0.97 -2.62 114.93 116.17 1pck h MET 2173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1pck h MET 2173Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1pck h MET 2173CO 0.01 0.21 0.00 -0.22 1.06 0.00 0.00 176.91 177.97 1pck h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.35 -2.27 116.57 116.30 1pck h LYS 2174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1pck h LYS 2174Cb 0.58 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1pck h LYS 2174CO 0.03 0.00 -0.15 1.96 -3.45 0.00 0.00 179.45 177.84 1pck h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.54 -3.31 115.11 116.35 1pck h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pck h GLN 2175Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1pck h GLN 2175CO 0.00 0.15 0.00 -2.67 -0.67 0.00 0.00 178.83 175.64 1pck n TRP 2176N -3.84 0.00 -3.65 2.96 2.14 -0.89 -5.11 117.44 109.05 1pck n TRP 2176Ca -0.02 -0.08 -0.03 0.00 2.07 0.00 0.00 57.50 59.44 1pck n TRP 2176Cb 0.25 -0.01 -0.01 0.00 -0.81 0.00 0.00 31.31 30.73 1pck n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1pck s ALA 2177N -0.15 -1.87 0.28 -1.67 0.00 -1.00 -4.99 121.76 112.36 1pck s ALA 2177Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 1pck s ALA 2177Cb 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.47 1pck s ALA 2177CO 0.00 -0.92 1.09 0.15 0.00 0.00 0.00 175.76 176.07 1pck s LYS 2178N -2.96 4.63 -0.13 0.00 1.02 -1.10 -4.09 119.74 117.11 1pck s LYS 2178Ca 0.11 1.77 -0.01 0.00 0.02 0.00 0.00 55.97 57.86 1pck s LYS 2178Cb 0.00 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1pck s LYS 2178CO -0.02 0.22 -0.09 0.08 -0.92 0.00 0.00 175.35 174.61 1pck s VAL 2179N -1.19 3.43 -0.03 3.17 1.01 -1.26 -1.13 120.40 124.41 1pck s VAL 2179Ca 0.45 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1pck s VAL 2179Cb -0.31 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1pck s VAL 2179CO 0.40 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 175.21 1pck s ILE 2180N 0.18 2.76 -0.23 2.22 -1.09 -0.43 0.56 121.20 125.17 1pck s ILE 2180Ca -0.05 -0.90 -0.07 0.00 -2.23 0.00 0.00 60.65 57.40 1pck s ILE 2180Cb -0.15 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1pck s ILE 2180CO 0.04 0.55 0.06 -0.47 -1.23 0.00 0.00 174.94 173.89 1pck s TYR 2181N -0.73 3.11 -0.62 3.97 5.04 -0.46 -0.93 117.35 126.73 1pck s TYR 2181Ca 0.12 -0.31 -0.24 0.00 -2.44 0.00 0.00 57.07 54.20 1pck s TYR 2181Cb -0.10 -2.19 0.05 0.00 0.35 0.00 0.00 41.96 40.07 1pck s TYR 2181CO 0.01 -0.24 0.99 0.34 -1.34 0.00 0.00 175.55 175.31 1pck s ASP 2182N 1.30 6.25 0.46 4.32 -1.08 0.13 -0.09 116.67 127.96 1pck s ASP 2182Ca 0.05 -0.64 0.27 0.00 -0.52 0.00 0.00 52.55 51.71 1pck s ASP 2182Cb -0.15 -2.44 0.74 0.00 -1.46 0.00 0.00 42.92 39.61 1pck s ASP 2182CO 0.03 -1.39 1.75 0.00 0.52 0.00 0.00 175.17 176.08 1pck h ALA 2183N 9.51 1.00 0.04 3.66 0.00 -1.36 -3.16 119.26 128.95 1pck h ALA 2183Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.25 1pck h ALA 2183Cb 1.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1pck h ALA 2183CO 1.15 0.00 -2.31 0.25 0.00 0.00 0.00 179.25 178.34 1pck n THR 2184N -3.03 1.59 0.20 0.00 -2.24 -1.26 -4.42 114.28 105.12 1pck n THR 2184Ca 0.03 -0.60 0.10 0.00 -2.27 0.00 0.00 64.05 61.31 1pck n THR 2184Cb 0.44 -1.52 0.15 0.00 -2.10 0.00 0.00 70.33 67.30 1pck n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1pck h HIS 2185N 0.02 0.00 0.00 4.78 3.86 -1.90 -3.27 115.15 118.64 1pck h HIS 2185Ca -0.53 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1pck h HIS 2185Cb 1.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.42 1pck h HIS 2185CO 0.05 0.12 0.00 0.77 0.86 0.00 0.00 177.93 179.72 1pck h SER 2186N 0.00 0.00 -0.14 2.45 0.02 -1.65 -2.71 113.55 111.52 1pck h SER 2186Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pck h SER 2186Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1pck h SER 2186CO 0.02 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.04 1pck n VAL 2187N -2.96 0.35 -2.68 2.27 0.24 -1.23 -4.70 118.33 109.62 1pck n VAL 2187Ca -0.00 -0.68 -0.36 0.00 -2.04 0.00 0.00 64.34 61.26 1pck n VAL 2187Cb 0.22 0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 1pck n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pck s GLN 2188N -0.99 4.32 -0.45 7.34 -2.07 -1.02 -2.45 119.66 124.34 1pck s GLN 2188Ca 0.18 1.38 -0.14 0.00 -1.82 0.00 0.00 55.36 54.95 1pck s GLN 2188Cb 0.11 -2.57 0.07 0.00 -1.09 0.00 0.00 33.01 29.53 1pck s GLN 2188CO 0.15 0.03 0.35 -0.51 -1.32 0.00 0.00 175.29 173.99 1pck s LEU 2189N -2.53 5.44 0.22 2.60 1.43 -1.26 -4.39 118.68 120.19 1pck s LEU 2189Ca 0.56 -1.30 -0.32 0.00 -1.03 0.00 0.00 54.13 52.04 1pck s LEU 2189Cb -0.18 -2.14 -0.14 0.00 0.03 0.00 0.00 46.19 43.76 1pck s LEU 2189CO 0.24 -0.59 1.35 -2.65 0.23 0.00 0.00 176.35 174.92 1pck n PRO 2190N 5.13 1.81 -1.56 1.29 -0.02 -1.26 -4.61 135.00 135.79 1pck n PRO 2190Ca -0.12 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 61.82 1pck n PRO 2190Cb 0.44 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 1pck n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pck n GLY 2191N 2.16 1.84 0.00 -1.23 0.00 -1.26 -4.23 105.19 102.46 1pck n GLY 2191Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1pck n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pck n GLY 2199N -0.32 3.97 3.20 -0.02 0.00 -1.26 -5.05 105.19 105.71 1pck n GLY 2199Ca -0.19 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 1pck n GLY 2199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pck s MET 2200N -1.88 2.50 0.58 1.61 -1.94 -1.03 -4.83 119.30 114.32 1pck s MET 2200Ca 0.00 -1.22 0.31 0.00 -1.71 0.00 0.00 55.69 53.07 1pck s MET 2200Cb 0.00 -3.24 1.77 0.00 2.01 0.00 0.00 34.83 35.37 1pck s MET 2200CO 0.00 -0.62 2.21 -0.09 -0.01 0.00 0.00 175.02 176.51 1pck h ARG 2201N 8.05 0.00 0.00 2.03 2.43 -1.90 -2.14 114.38 122.85 1pck h ARG 2201Ca -0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1pck h ARG 2201Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1pck h ARG 2201CO 0.55 0.04 0.00 1.05 -1.51 0.00 0.00 179.97 180.10 1pck h GLU 2202N 0.00 0.00 -0.01 0.20 4.11 -1.94 -2.38 114.58 114.56 1pck h GLU 2202Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pck h GLU 2202Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1pck h GLU 2202CO 0.01 0.00 -0.50 1.19 0.07 0.00 0.00 179.01 179.77 1pck n PHE 2203N -2.53 0.00 0.28 2.06 3.72 -0.80 -4.60 117.46 115.58 1pck n PHE 2203Ca -0.01 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 1pck n PHE 2203Cb 0.11 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 1pck n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1pck h ILE 2204N 1.93 0.33 -0.10 4.37 2.04 -1.55 -2.40 117.51 122.11 1pck h ILE 2204Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1pck h ILE 2204Cb 0.66 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1pck h ILE 2204CO 0.00 0.00 0.06 0.15 0.00 0.00 0.00 178.15 178.36 1pck h PHE 2205N -0.78 0.15 -0.58 1.37 -0.00 -1.81 -1.66 116.94 113.62 1pck h PHE 2205Ca -0.05 -0.00 0.08 0.00 -0.00 0.00 0.00 57.97 58.00 1pck h PHE 2205Cb 0.65 -0.05 -0.07 0.00 -0.00 0.00 0.00 35.95 36.49 1pck h PHE 2205CO -0.12 0.18 0.23 -1.35 -0.00 0.00 0.00 178.31 177.24 1pck h PRO 2206N 0.07 0.40 0.00 6.41 0.11 -1.81 -1.35 132.00 135.84 1pck h PRO 2206Ca 0.04 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1pck h PRO 2206Cb 0.08 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1pck h PRO 2206CO -0.01 0.27 -0.64 -0.07 -0.21 0.00 0.00 178.00 177.35 1pck h LEU 2207N 0.42 0.00 -0.76 2.35 3.38 -1.34 -2.33 115.31 117.03 1pck h LEU 2207Ca 0.29 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 1pck h LEU 2207Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1pck h LEU 2207CO -0.28 0.64 -0.56 -0.29 0.09 0.00 0.00 178.44 178.04 1pck h ILE 2208N 0.00 1.38 -0.60 1.22 2.10 -0.84 -1.04 117.51 119.72 1pck h ILE 2208Ca -0.01 -1.88 -0.09 0.00 1.08 0.00 0.00 64.86 63.96 1pck h ILE 2208Cb 1.17 1.95 -0.02 0.00 -1.09 0.00 0.00 36.82 38.83 1pck h ILE 2208CO 0.08 0.55 0.00 0.03 -1.08 0.00 0.00 178.15 177.74 1pck h ARG 2209N 0.14 1.05 -0.54 2.19 3.08 -1.01 -2.54 114.38 116.76 1pck h ARG 2209Ca -0.00 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1pck h ARG 2209Cb 1.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1pck h ARG 2209CO 0.08 1.03 0.26 0.00 -1.07 0.00 0.00 179.97 180.26 1pck h ALA 2210N 1.03 0.70 -0.44 0.04 0.00 -1.07 -1.65 119.26 117.86 1pck h ALA 2210Ca 0.17 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1pck h ALA 2210Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1pck h ALA 2210CO 0.03 0.27 0.16 0.00 0.00 0.00 0.00 179.25 179.71 1pck h ALA 2211N 1.09 0.53 0.00 0.00 0.00 -0.83 0.47 119.26 120.53 1pck h ALA 2211Ca 0.19 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1pck h ALA 2211Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pck h ALA 2211CO -0.02 -0.23 -0.48 -0.39 0.00 0.00 0.00 179.25 178.13 1pck h VAL 2212N 0.33 1.02 -0.22 0.00 -1.51 -1.34 0.66 116.25 115.19 1pck h VAL 2212Ca 0.21 -1.87 -0.16 0.00 -1.23 0.00 0.00 66.70 63.65 1pck h VAL 2212Cb 0.20 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 1pck h VAL 2212CO -0.21 0.47 -0.51 0.00 -1.23 0.00 0.00 177.57 176.09 1pck h ALA 2213N 1.52 0.69 -0.08 5.19 0.00 -0.56 -3.12 119.26 122.90 1pck h ALA 2213Ca -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1pck h ALA 2213Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1pck h ALA 2213CO 0.06 0.68 -0.35 0.28 0.00 0.00 0.00 179.25 179.92 1pck h VAL 2214N 0.49 1.40 0.00 0.00 2.07 -0.75 -3.47 116.25 115.99 1pck h VAL 2214Ca 0.02 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1pck h VAL 2214Cb 1.06 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1pck h VAL 2214CO 0.10 0.50 0.00 0.61 0.02 0.00 0.00 177.57 178.80 1pck n GLY 2215N 0.66 2.99 3.46 2.17 0.00 0.21 -4.83 105.19 109.86 1pck n GLY 2215Ca -0.08 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 1pck n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pck n ASP 2217N -0.62 1.62 0.00 0.00 8.00 0.19 -4.98 116.55 120.76 1pck n ASP 2217Ca 0.00 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1pck n ASP 2217Cb 0.63 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1pck n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pck n GLY 2218N 1.39 0.60 3.21 0.44 0.00 -1.09 -1.62 105.19 108.13 1pck n GLY 2218Ca 0.10 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1pck n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pck s VAL 2219N -2.00 1.32 -0.13 1.61 1.01 0.37 -1.35 120.40 121.23 1pck s VAL 2219Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 60.67 1pck s VAL 2219Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1pck s VAL 2219CO 0.00 -0.13 -0.20 0.12 0.00 0.00 0.00 175.10 174.90 1pck s PHE 2220N -1.16 2.69 -0.04 5.22 2.19 0.87 -0.89 117.98 126.85 1pck s PHE 2220Ca 0.01 -1.08 -0.01 0.00 0.33 0.00 0.00 56.93 56.18 1pck s PHE 2220Cb -0.10 -1.81 0.03 0.00 -1.31 0.00 0.00 43.02 39.84 1pck s PHE 2220CO 0.03 -0.46 0.08 -1.64 1.83 0.00 0.00 175.22 175.06 1pck s MET 2221N 0.61 0.02 -0.06 10.12 -1.94 0.26 -0.99 119.30 127.32 1pck s MET 2221Ca -0.11 0.27 -0.22 0.00 -1.71 0.00 0.00 55.69 53.93 1pck s MET 2221Cb -0.16 -0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 1pck s MET 2221CO 0.03 -0.17 0.64 -1.21 -0.01 0.00 0.00 175.02 174.30 1pck s GLU 2222N 1.13 4.40 0.01 2.03 2.02 -1.26 -2.92 118.70 124.11 1pck s GLU 2222Ca -0.09 0.78 0.02 0.00 0.02 0.00 0.00 54.97 55.70 1pck s GLU 2222Cb -0.12 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.68 1pck s GLU 2222CO -0.04 0.15 -0.07 -0.08 0.02 0.00 0.00 175.26 175.24 1pck s THR 2223N 0.52 0.54 -0.07 3.63 -1.32 0.43 -0.69 115.64 118.69 1pck s THR 2223Ca 0.34 -0.51 -0.06 0.00 -1.21 0.00 0.00 61.69 60.26 1pck s THR 2223Cb -0.17 -0.50 0.02 0.00 -1.51 0.00 0.00 72.50 70.34 1pck s THR 2223CO 0.17 0.01 0.18 -2.28 -2.21 0.00 0.00 174.62 170.48 1pck s HIS 2224N -0.48 -0.20 0.40 9.09 5.04 -0.47 -2.28 115.29 126.38 1pck s HIS 2224Ca -0.01 0.50 0.15 0.00 -1.54 0.00 0.00 55.06 54.17 1pck s HIS 2224Cb -0.05 0.05 1.01 0.00 0.04 0.00 0.00 32.58 33.64 1pck s HIS 2224CO 0.00 -0.11 1.85 -1.35 -2.34 0.00 0.00 174.74 172.79 1pck h PRO 2225N 6.10 0.47 -2.01 2.88 0.11 -1.94 -2.30 132.00 135.31 1pck h PRO 2225Ca -0.28 -0.03 -0.53 0.00 0.11 0.00 0.00 66.00 65.27 1pck h PRO 2225Cb 1.19 -0.11 -0.35 0.00 0.11 0.00 0.00 31.00 31.84 1pck h PRO 2225CO 0.40 0.31 -0.96 0.39 -0.21 0.00 0.00 178.00 177.92 1pck n GLU 2226N -4.55 0.42 -0.33 1.05 1.02 -1.26 -4.51 120.64 112.48 1pck n GLU 2226Ca 0.20 -3.03 0.26 0.00 -0.02 0.00 0.00 57.16 54.56 1pck n GLU 2226Cb 0.66 -1.48 0.50 0.00 -0.02 0.00 0.00 31.44 31.09 1pck n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1pck h PRO 2227N 4.93 0.25 -0.47 3.49 0.11 -1.84 0.27 132.00 138.74 1pck h PRO 2227Ca 0.16 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.39 1pck h PRO 2227Cb 0.92 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1pck h PRO 2227CO 0.37 0.16 0.38 1.05 -0.21 0.00 0.00 178.00 179.76 1pck h GLU 2228N 0.25 0.00 -0.02 1.05 4.11 -1.92 0.05 114.58 118.09 1pck h GLU 2228Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.19 1pck h GLU 2228Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1pck h GLU 2228CO -0.64 0.00 -0.24 1.63 0.07 0.00 0.00 179.01 179.83 1pck n LYS 2229N -4.15 1.70 -1.73 1.06 5.02 0.95 -4.99 118.16 116.03 1pck n LYS 2229Ca 0.08 -1.38 -0.40 0.00 -2.02 0.00 0.00 58.31 54.60 1pck n LYS 2229Cb 0.59 -1.44 0.03 0.00 -0.02 0.00 0.00 35.03 34.19 1pck n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pck n ALA 2230N 0.57 1.53 1.51 7.82 0.00 0.00 -4.88 120.51 127.06 1pck n ALA 2230Ca 0.11 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.87 1pck n ALA 2230Cb 0.50 -2.32 0.53 0.00 0.00 0.00 0.00 19.45 18.16 1pck n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pck n LEU 2231N -0.36 1.27 -3.71 0.00 4.77 -1.26 -4.53 117.00 113.18 1pck n LEU 2231Ca 0.08 -0.47 -0.13 0.00 -0.03 0.00 0.00 56.01 55.46 1pck n LEU 2231Cb 0.42 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1pck n LEU 2231CO 0.57 0.23 0.15 -0.55 -1.33 0.00 0.00 177.39 176.46 1pck s SER 2232N -1.83 -0.48 -1.47 -1.43 0.15 -1.26 -4.51 113.70 102.88 1pck s SER 2232Ca 0.37 0.88 -0.02 0.00 0.70 0.00 0.00 55.95 57.88 1pck s SER 2232Cb 0.19 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1pck s SER 2232CO 0.31 -0.20 0.23 0.47 1.20 0.00 0.00 173.24 175.24 1pck n ASP 2233N 2.64 0.10 0.16 5.45 8.00 -1.26 -4.84 116.55 126.81 1pck n ASP 2233Ca -0.14 -1.15 0.02 0.00 0.71 0.00 0.00 54.79 54.23 1pck n ASP 2233Cb 0.57 -2.29 0.37 0.00 -0.02 0.00 0.00 41.12 39.75 1pck n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pck h ALA 2234N 0.84 1.43 -0.00 2.24 0.00 -1.80 -2.21 119.26 119.77 1pck h ALA 2234Ca -0.65 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1pck h ALA 2234Cb 1.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pck h ALA 2234CO 0.66 0.41 -0.03 0.43 0.00 0.00 0.00 179.25 180.72 1pck n SER 2235N -4.17 0.04 0.00 0.00 7.64 -1.26 -4.18 113.62 111.70 1pck n SER 2235Ca -0.02 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1pck n SER 2235Cb 0.35 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1pck n SER 2235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pck n THR 2236N -1.42 0.00 -2.19 0.44 -2.24 -1.11 -4.07 114.28 103.70 1pck n THR 2236Ca 0.09 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1pck n THR 2236Cb 0.31 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1pck n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pck s GLN 2237N -0.67 4.33 0.13 -0.78 -0.21 -0.85 -4.85 119.66 116.77 1pck s GLN 2237Ca 0.00 2.06 -0.30 0.00 0.02 0.00 0.00 55.36 57.13 1pck s GLN 2237Cb 0.00 -3.25 -0.07 0.00 1.00 0.00 0.00 33.01 30.69 1pck s GLN 2237CO 0.00 -0.40 1.24 -1.17 -2.12 0.00 0.00 175.29 172.84 1pck s LEU 2238N 0.94 4.40 0.24 2.90 2.96 0.14 -4.71 118.68 125.55 1pck s LEU 2238Ca 0.63 2.19 -0.31 0.00 -0.22 0.00 0.00 54.13 56.42 1pck s LEU 2238Cb -0.36 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.61 1pck s LEU 2238CO 0.31 -0.47 1.68 -2.65 -1.32 0.00 0.00 176.35 173.90 1pck n PRO 2239N 3.27 2.76 -0.31 0.98 -0.02 -1.26 -1.37 135.00 139.05 1pck n PRO 2239Ca 0.07 0.99 0.14 0.00 -2.02 0.00 0.00 63.50 62.68 1pck n PRO 2239Cb 0.45 -2.81 0.32 0.00 -0.02 0.00 0.00 33.50 31.43 1pck n PRO 2239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pck h LEU 2240N 6.01 0.37 -1.89 2.45 6.46 -1.64 -0.64 115.31 126.43 1pck h LEU 2240Ca -0.45 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1pck h LEU 2240Cb 1.21 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 1pck h LEU 2240CO 0.89 0.01 0.00 0.77 -0.62 0.00 0.00 178.44 179.50 1pck h SER 2241N 0.42 0.00 0.17 1.25 4.64 -1.89 -2.41 113.55 115.74 1pck h SER 2241Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1pck h SER 2241Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1pck h SER 2241CO -0.52 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 174.92 1pck n GLN 2242N -2.68 0.60 -0.05 4.77 6.02 -0.25 -4.48 117.38 121.32 1pck n GLN 2242Ca -0.01 -0.43 -0.10 0.00 -0.01 0.00 0.00 57.00 56.44 1pck n GLN 2242Cb 0.12 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.85 1pck n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1pck h LEU 2243N 1.06 0.25 -0.32 1.08 5.85 -1.48 -2.74 115.31 119.00 1pck h LEU 2243Ca 0.00 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1pck h LEU 2243Cb 0.57 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1pck h LEU 2243CO 0.00 0.27 0.06 -0.08 -0.34 0.00 0.00 178.44 178.35 1pck h GLU 2244N 0.20 0.16 -0.91 1.25 4.81 -1.78 -0.98 114.58 117.32 1pck h GLU 2244Ca 0.07 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1pck h GLU 2244Cb 0.09 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 1pck h GLU 2244CO -0.01 0.11 0.60 0.78 -0.73 0.00 0.00 179.01 179.75 1pck h GLY 2245N 0.17 1.31 1.26 1.92 0.00 -1.82 -1.12 103.07 104.78 1pck h GLY 2245Ca 0.15 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1pck h GLY 2245CO -0.20 0.43 -0.34 -2.22 0.00 0.00 0.00 176.54 174.20 1pck h ILE 2246N 1.19 1.28 -0.23 2.60 2.04 -1.15 -1.66 117.51 121.58 1pck h ILE 2246Ca 0.35 -1.50 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 1pck h ILE 2246Cb -0.07 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1pck h ILE 2246CO -0.10 0.50 0.06 0.40 0.00 0.00 0.00 178.15 179.01 1pck h ILE 2247N 0.68 1.20 -0.97 -0.67 2.04 -0.78 -0.91 117.51 118.11 1pck h ILE 2247Ca 0.07 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1pck h ILE 2247Cb 0.89 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1pck h ILE 2247CO 0.08 0.21 0.61 -0.08 0.00 0.00 0.00 178.15 178.97 1pck h GLU 2248N 0.20 1.30 -0.24 2.37 4.57 -1.18 -1.19 114.58 120.42 1pck h GLU 2248Ca 0.07 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1pck h GLU 2248Cb 0.26 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1pck h GLU 2248CO -0.00 0.89 0.11 0.00 -1.18 0.00 0.00 179.01 178.82 1pck h ALA 2249N 1.33 0.30 0.00 2.92 0.00 -1.00 -1.74 119.26 121.08 1pck h ALA 2249Ca 0.35 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1pck h ALA 2249Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pck h ALA 2249CO -0.07 -0.13 -0.40 -0.84 0.00 0.00 0.00 179.25 177.82 1pck h ILE 2250N 0.24 0.98 -0.41 0.00 3.07 -0.87 -1.64 117.51 118.89 1pck h ILE 2250Ca 0.08 -1.53 -0.15 0.00 1.55 0.00 0.00 64.86 64.81 1pck h ILE 2250Cb 0.13 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.58 1pck h ILE 2250CO -0.01 0.39 -0.32 -0.07 -1.05 0.00 0.00 178.15 177.09 1pck h LEU 2251N 0.00 0.96 -0.35 0.16 3.38 -1.00 0.19 115.31 118.65 1pck h LEU 2251Ca -0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1pck h LEU 2251Cb 0.87 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1pck h LEU 2251CO 0.05 1.19 -0.07 -0.33 0.09 0.00 0.00 178.44 179.37 1pck h GLU 2252N 0.77 0.67 -0.42 1.13 5.08 -1.06 -0.64 114.58 120.11 1pck h GLU 2252Ca 0.08 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1pck h GLU 2252Cb 0.90 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1pck h GLU 2252CO 0.08 0.83 0.08 0.82 -1.00 0.00 0.00 179.01 179.82 1pck h ILE 2253N 0.46 1.24 -0.71 3.13 2.04 -1.22 -2.80 117.51 119.64 1pck h ILE 2253Ca 0.09 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1pck h ILE 2253Cb 0.57 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1pck h ILE 2253CO 0.03 0.29 0.46 -0.09 0.00 0.00 0.00 178.15 178.85 1pck h ARG 2254N 0.55 0.95 -0.65 2.37 2.43 -0.88 0.89 114.38 120.04 1pck h ARG 2254Ca 0.13 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 1pck h ARG 2254Cb 0.35 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 1pck h ARG 2254CO 0.01 0.63 0.31 1.49 -1.51 0.00 0.00 179.97 180.90 1pck h GLU 2255N 0.97 0.53 0.07 0.20 4.22 -0.87 0.17 114.58 119.86 1pck h GLU 2255Ca 0.26 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.52 1pck h GLU 2255Cb -0.10 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.05 1pck h GLU 2255CO -0.05 0.35 -0.62 0.28 -2.18 0.00 0.00 179.01 176.79 1pck h VAL 2256N 0.54 1.52 -0.07 0.32 2.07 -1.24 -3.37 116.25 116.02 1pck h VAL 2256Ca 0.31 -2.32 -0.11 0.00 0.82 0.00 0.00 66.70 65.40 1pck h VAL 2256Cb 0.32 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1pck h VAL 2256CO -0.25 0.65 -0.48 0.00 0.02 0.00 0.00 177.57 177.51 1pck h ALA 2257N 0.16 1.07 -0.53 1.67 0.00 -0.66 -3.24 119.26 117.74 1pck h ALA 2257Ca -0.10 -0.45 0.15 0.00 0.00 0.00 0.00 54.91 54.51 1pck h ALA 2257Cb 1.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1pck h ALA 2257CO 0.12 0.63 0.47 0.66 0.00 0.00 0.00 179.25 181.13 1pck h SER 2258N 0.14 0.00 -0.19 0.00 4.64 -0.82 0.17 113.55 117.49 1pck h SER 2258Ca 0.01 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1pck h SER 2258Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1pck h SER 2258CO 0.07 0.00 0.14 0.50 -0.87 0.00 0.00 176.83 176.67 1pck h LYS 2259N 0.00 0.00 -0.25 4.77 3.64 -1.78 -2.56 116.57 120.39 1pck h LYS 2259Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1pck h LYS 2259Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1pck h LYS 2259CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1pck n TYR 2260N -4.42 0.31 -1.87 1.91 4.02 0.61 -4.98 117.16 112.74 1pck n TYR 2260Ca 0.02 -0.18 -0.42 0.00 -0.01 0.00 0.00 57.90 57.31 1pck n TYR 2260Cb 0.28 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.57 1pck n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1pck s TYR 2261N -1.47 2.91 0.42 -0.72 2.02 -0.97 -4.95 117.35 114.60 1pck s TYR 2261Ca 0.31 0.76 -0.24 0.00 -0.37 0.00 0.00 57.07 57.53 1pck s TYR 2261Cb 0.19 -3.98 -0.08 0.00 -0.40 0.00 0.00 41.96 37.69 1pck s TYR 2261CO 0.27 -3.39 1.13 -1.21 -1.57 0.00 0.00 175.55 170.79 1pck s GLU 2262N 0.10 3.97 -0.06 -0.62 8.01 -1.26 -4.96 118.70 123.88 1pck s GLU 2262Ca 0.65 1.72 -0.30 0.00 0.01 0.00 0.00 54.97 57.06 1pck s GLU 2262Cb -0.46 -2.54 -0.05 0.00 -4.31 0.00 0.00 34.13 26.78 1pck s GLU 2262CO 0.41 -0.36 1.57 0.99 0.01 0.00 0.00 175.26 177.87 1pck s THR 2263N -1.53 3.67 0.00 3.63 2.01 -1.26 -5.15 115.64 117.01 1pck s THR 2263Ca 0.60 0.86 0.00 0.00 0.31 0.00 0.00 61.69 63.46 1pck s THR 2263Cb -0.27 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1pck s THR 2263CO 0.34 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.21