#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcy s PHE 2004N 0.00 2.88 -0.07 5.58 2.19 -1.25 -4.68 117.98 122.62 1jcy s PHE 2004Ca 0.00 0.51 -0.12 0.00 0.33 0.00 0.00 56.93 57.65 1jcy s PHE 2004Cb 0.00 -4.09 -0.05 0.00 -1.31 0.00 0.00 43.02 37.57 1jcy s PHE 2004CO 0.00 -3.99 0.28 -1.17 1.83 0.00 0.00 175.22 172.17 1jcy s LEU 2005N 0.68 4.40 -0.29 6.12 2.96 -0.57 -0.86 118.68 131.11 1jcy s LEU 2005Ca 0.71 0.69 -0.01 0.00 -0.22 0.00 0.00 54.13 55.30 1jcy s LEU 2005Cb -0.48 -2.35 0.09 0.00 0.50 0.00 0.00 46.19 43.95 1jcy s LEU 2005CO 0.37 0.32 0.08 -0.69 -1.32 0.00 0.00 176.35 175.10 1jcy s VAL 2006N -0.78 0.99 -0.25 1.68 1.01 -0.65 -0.76 120.40 121.64 1jcy s VAL 2006Ca 0.19 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.65 1jcy s VAL 2006Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1jcy s VAL 2006CO 0.08 -0.57 0.44 -0.63 0.00 0.00 0.00 175.10 174.42 1jcy s ILE 2007N 1.58 5.13 0.15 2.22 1.01 0.11 -1.71 121.20 129.69 1jcy s ILE 2007Ca 0.07 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.35 1jcy s ILE 2007Cb -0.17 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1jcy s ILE 2007CO -0.21 0.15 0.31 0.00 0.00 0.00 0.00 174.94 175.20 1jcy s ALA 2008N 1.99 -0.30 0.00 9.38 0.00 -0.35 -0.75 121.76 131.72 1jcy s ALA 2008Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1jcy s ALA 2008Cb -0.15 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1jcy s ALA 2008CO 0.09 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1jcy n GLY 2009N -0.20 0.83 3.77 0.00 0.00 -1.14 -0.31 105.19 108.13 1jcy n GLY 2009Ca -0.11 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 1jcy n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jcy s PRO 2010N -1.64 4.28 0.13 1.61 0.04 -1.06 -0.97 135.00 137.39 1jcy s PRO 2010Ca 0.00 1.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 1jcy s PRO 2010Cb 0.00 -2.86 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 1jcy s PRO 2010CO 0.00 -0.12 1.58 0.00 0.04 0.00 0.00 177.00 178.51 1jcy s ALA 2012N -5.89 2.77 -1.24 0.00 0.00 -1.26 -1.12 121.76 115.03 1jcy s ALA 2012Ca -0.16 -1.48 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 1jcy s ALA 2012Cb 0.09 -0.61 0.09 0.00 0.00 0.00 0.00 23.12 22.70 1jcy s ALA 2012CO 0.64 0.49 1.62 0.42 0.00 0.00 0.00 175.76 178.93 1jcy s ILE 2013N -1.55 4.33 -0.08 0.00 1.01 -0.35 -4.73 121.20 119.83 1jcy s ILE 2013Ca 0.22 -1.95 0.30 0.00 0.00 0.00 0.00 60.65 59.22 1jcy s ILE 2013Cb -0.09 -5.11 0.33 0.00 0.01 0.00 0.00 42.46 37.60 1jcy s ILE 2013CO 0.12 -1.91 1.90 -0.33 0.00 0.00 0.00 174.94 174.72 1jcy h GLU 2014N 7.75 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 124.83 1jcy h GLU 2014Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1jcy h GLU 2014Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1jcy h GLU 2014CO 1.40 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 178.28 1jcy n SER 2015N -2.70 0.00 0.30 1.42 3.41 -1.26 -4.98 113.62 109.81 1jcy n SER 2015Ca 0.01 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.81 1jcy n SER 2015Cb 0.23 0.00 1.02 0.00 -0.26 0.00 0.00 64.21 65.20 1jcy n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1jcy h GLU 2016N 0.00 0.00 -0.54 4.33 4.11 -1.92 0.92 114.58 121.48 1jcy h GLU 2016Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1jcy h GLU 2016Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jcy h GLU 2016CO 0.00 0.00 0.22 1.49 0.07 0.00 0.00 179.01 180.79 1jcy h GLU 2017N 0.00 0.81 -0.47 1.06 4.81 -1.97 -0.69 114.58 118.12 1jcy h GLU 2017Ca 0.02 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1jcy h GLU 2017Cb 0.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1jcy h GLU 2017CO -0.00 0.70 0.08 1.25 -0.73 0.00 0.00 179.01 180.32 1jcy h LEU 2018N 0.74 0.74 -1.32 1.64 5.85 -1.21 -2.58 115.31 119.18 1jcy h LEU 2018Ca 0.18 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1jcy h LEU 2018Cb 0.19 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1jcy h LEU 2018CO -0.02 0.81 0.47 -0.07 -0.34 0.00 0.00 178.44 179.30 1jcy h LEU 2019N 0.65 0.78 -0.56 2.25 3.38 -1.03 -1.56 115.31 119.22 1jcy h LEU 2019Ca 0.14 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1jcy h LEU 2019Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1jcy h LEU 2019CO 0.01 0.55 -0.34 -0.07 0.09 0.00 0.00 178.44 178.67 1jcy h LEU 2020N 0.91 0.82 0.26 1.67 3.38 -0.89 0.47 115.31 121.92 1jcy h LEU 2020Ca 0.27 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jcy h LEU 2020Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1jcy h LEU 2020CO -0.07 1.09 -0.12 0.50 0.09 0.00 0.00 178.44 179.92 1jcy h LYS 2021N 0.65 -0.34 -0.61 1.13 3.64 -1.01 -0.37 116.57 119.66 1jcy h LYS 2021Ca 0.07 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1jcy h LYS 2021Cb 0.89 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1jcy h LYS 2021CO 0.08 -0.08 0.24 0.28 -2.27 0.00 0.00 179.45 177.70 1jcy h VAL 2022N -0.56 1.22 -0.41 2.00 2.07 -1.29 -2.20 116.25 117.08 1jcy h VAL 2022Ca -0.04 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1jcy h VAL 2022Cb 0.41 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1jcy h VAL 2022CO 0.06 0.27 0.19 1.23 0.02 0.00 0.00 177.57 179.34 1jcy h GLY 2023N 0.98 0.61 0.99 2.17 0.00 0.20 -1.25 103.07 106.77 1jcy h GLY 2023Ca 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1jcy h GLY 2023CO -0.02 0.26 0.00 -2.09 0.00 0.00 0.00 176.54 174.69 1jcy h GLU 2024N 0.57 0.82 -0.36 4.80 4.81 -0.42 -0.49 114.58 124.31 1jcy h GLU 2024Ca 0.14 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 1jcy h GLU 2024Cb 0.08 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1jcy h GLU 2024CO -0.02 0.87 -0.20 1.49 -0.73 0.00 0.00 179.01 180.42 1jcy h GLU 2025N 0.68 0.77 0.00 1.92 4.57 -1.32 -1.35 114.58 119.85 1jcy h GLU 2025Ca 0.13 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.90 1jcy h GLU 2025Cb 0.50 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1jcy h GLU 2025CO 0.02 0.97 -0.31 0.82 -1.18 0.00 0.00 179.01 179.34 1jcy h ILE 2026N 0.56 1.14 -0.22 2.32 2.04 -1.14 -0.82 117.51 121.39 1jcy h ILE 2026Ca 0.08 -1.08 -0.10 0.00 1.00 0.00 0.00 64.86 64.75 1jcy h ILE 2026Cb 0.76 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1jcy h ILE 2026CO 0.06 0.30 -0.26 0.50 0.00 0.00 0.00 178.15 178.75 1jcy h LYS 2027N 0.00 0.57 -0.24 2.37 1.63 -0.84 -0.38 116.57 119.69 1jcy h LYS 2027Ca -0.00 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1jcy h LYS 2027Cb 0.57 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1jcy h LYS 2027CO 0.04 0.91 0.15 -0.09 -3.45 0.00 0.00 179.45 177.01 1jcy h ARG 2028N 0.26 0.30 -0.46 1.90 2.43 -0.73 -1.50 114.38 116.59 1jcy h ARG 2028Ca 0.03 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1jcy h ARG 2028Cb 0.83 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1jcy h ARG 2028CO 0.06 0.20 0.09 -0.07 -1.51 0.00 0.00 179.97 178.74 1jcy h LEU 2029N 0.31 0.64 -1.16 3.80 -0.00 -1.15 -1.72 115.31 116.03 1jcy h LEU 2029Ca 0.09 -0.11 0.08 0.00 -0.00 0.00 0.00 57.88 57.94 1jcy h LEU 2029Cb -0.02 -0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 40.40 1jcy h LEU 2029CO -0.03 0.65 0.59 -1.28 -0.00 0.00 0.00 178.44 178.37 1jcy h SER 2030N 0.67 0.87 0.90 -0.43 0.87 -0.10 0.25 113.55 116.57 1jcy h SER 2030Ca 0.15 0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 1jcy h SER 2030Cb 0.28 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1jcy h SER 2030CO 0.00 0.53 -0.94 -0.33 -0.53 0.00 0.00 176.83 175.56 1jcy h GLU 2031N 0.97 0.02 0.01 2.24 4.39 -0.67 -3.30 114.58 118.25 1jcy h GLU 2031Ca 0.41 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.85 1jcy h GLU 2031Cb 0.30 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1jcy h GLU 2031CO -0.17 0.94 -0.95 -0.22 -1.16 0.00 0.00 179.01 177.46 1jcy h LYS 2032N 0.01 0.34 -3.02 2.33 3.64 -0.38 -3.38 116.57 116.11 1jcy h LYS 2032Ca -0.02 -0.38 -0.65 0.00 -1.27 0.00 0.00 60.65 58.33 1jcy h LYS 2032Cb 1.65 0.11 -0.39 0.00 -0.41 0.00 0.00 32.23 33.19 1jcy h LYS 2032CO 0.13 1.07 -0.36 1.19 -2.27 0.00 0.00 179.45 179.21 1jcy n PHE 2033N -3.70 3.62 0.30 1.91 3.01 0.75 -4.89 117.46 118.47 1jcy n PHE 2033Ca -0.06 -4.17 0.18 0.00 1.01 0.00 0.00 57.45 54.41 1jcy n PHE 2033Cb 0.85 -0.82 0.86 0.00 -0.01 0.00 0.00 39.48 40.36 1jcy n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1jcy h LYS 2034N 5.40 0.00 0.00 -1.08 1.79 -1.76 -1.74 116.57 119.19 1jcy h LYS 2034Ca 0.16 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1jcy h LYS 2034Cb 0.75 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1jcy h LYS 2034CO 0.81 0.00 -0.29 1.49 -1.08 0.00 0.00 179.45 180.38 1jcy h GLU 2035N 0.00 0.00 -5.77 3.15 4.57 -1.91 -3.44 114.58 111.19 1jcy h GLU 2035Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 1jcy h GLU 2035Cb 0.22 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1jcy h GLU 2035CO 0.00 0.29 -0.49 0.08 -1.18 0.00 0.00 179.01 177.70 1jcy s VAL 2036N -3.75 5.41 -0.41 0.32 1.01 -0.65 -3.92 120.40 118.41 1jcy s VAL 2036Ca -0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1jcy s VAL 2036Cb 0.11 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 33.06 1jcy s VAL 2036CO 0.66 0.42 0.29 -0.70 0.00 0.00 0.00 175.10 175.77 1jcy s GLU 2037N -1.63 2.89 0.23 2.72 2.12 -0.04 -4.97 118.70 120.01 1jcy s GLU 2037Ca 0.23 -1.15 -0.15 0.00 0.36 0.00 0.00 54.97 54.26 1jcy s GLU 2037Cb -0.12 -3.92 -0.08 0.00 0.26 0.00 0.00 34.13 30.27 1jcy s GLU 2037CO 0.14 -0.82 0.64 -0.06 -0.54 0.00 0.00 175.26 174.62 1jcy s PHE 2038N 1.61 3.52 -0.05 5.30 0.40 -1.26 -1.63 117.98 125.86 1jcy s PHE 2038Ca 0.04 1.14 -0.01 0.00 -0.60 0.00 0.00 56.93 57.50 1jcy s PHE 2038Cb -0.21 -2.45 0.03 0.00 0.51 0.00 0.00 43.02 40.90 1jcy s PHE 2038CO 0.08 0.29 0.00 0.08 0.70 0.00 0.00 175.22 176.37 1jcy s VAL 2039N -1.68 0.26 -0.03 -0.44 1.01 -0.69 -4.27 120.40 114.56 1jcy s VAL 2039Ca 0.45 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1jcy s VAL 2039Cb -0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1jcy s VAL 2039CO 0.20 0.21 0.96 0.12 0.00 0.00 0.00 175.10 176.58 1jcy s PHE 2040N 1.60 3.62 0.03 5.22 5.36 -0.39 -1.21 117.98 132.21 1jcy s PHE 2040Ca -0.01 1.63 0.07 0.00 -0.96 0.00 0.00 56.93 57.66 1jcy s PHE 2040Cb -0.13 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1jcy s PHE 2040CO -0.03 -0.05 -0.20 0.21 -1.46 0.00 0.00 175.22 173.69 1jcy s LYS 2041N 1.22 1.39 -0.29 10.12 2.36 0.58 -1.39 119.74 133.73 1jcy s LYS 2041Ca 0.50 -0.88 -0.22 0.00 -2.55 0.00 0.00 55.97 52.81 1jcy s LYS 2041Cb -0.20 -1.46 0.16 0.00 -1.05 0.00 0.00 37.83 35.28 1jcy s LYS 2041CO 0.25 0.38 1.18 0.45 1.55 0.00 0.00 175.35 179.16 1jcy s SER 2042N -1.04 -0.28 -0.04 1.43 0.15 -1.18 -3.16 113.70 109.58 1jcy s SER 2042Ca 0.07 0.51 -0.20 0.00 0.70 0.00 0.00 55.95 57.03 1jcy s SER 2042Cb -0.08 0.72 -0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1jcy s SER 2042CO 0.01 -0.09 0.58 -0.44 1.20 0.00 0.00 173.24 174.51 1jcy s SER 2043N 0.49 6.91 0.04 5.45 0.01 -0.27 -4.54 113.70 121.79 1jcy s SER 2043Ca 0.01 1.08 0.27 0.00 1.31 0.00 0.00 55.95 58.63 1jcy s SER 2043Cb -0.04 -2.35 0.96 0.00 0.21 0.00 0.00 66.02 64.79 1jcy s SER 2043CO -0.11 0.05 1.76 2.22 0.41 0.00 0.00 173.24 177.56 1jcy n PHE 2044N 3.10 0.19 -3.64 2.43 1.16 -1.26 -1.21 117.46 118.22 1jcy n PHE 2044Ca -0.06 0.05 -0.06 0.00 -1.87 0.00 0.00 57.45 55.51 1jcy n PHE 2044Cb 0.51 -0.53 -0.07 0.00 -1.61 0.00 0.00 39.48 37.79 1jcy n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1jcy s ASP 2045N -3.33 -0.94 -0.90 5.98 2.15 -1.26 -3.53 116.67 114.85 1jcy s ASP 2045Ca 0.12 1.48 -0.16 0.00 0.43 0.00 0.00 52.55 54.42 1jcy s ASP 2045Cb 0.17 1.49 0.19 0.00 -0.30 0.00 0.00 42.92 44.47 1jcy s ASP 2045CO 0.59 -0.23 0.96 -0.54 -0.17 0.00 0.00 175.17 175.78 1jcy s LYS 2046N 1.78 3.66 0.00 4.34 -0.14 0.10 -4.85 119.74 124.62 1jcy s LYS 2046Ca -0.09 -2.23 0.29 0.00 -1.36 0.00 0.00 55.97 52.58 1jcy s LYS 2046Cb -0.06 -4.66 1.51 0.00 -1.68 0.00 0.00 37.83 32.94 1jcy s LYS 2046CO -0.20 -1.50 2.03 0.00 -0.76 0.00 0.00 175.35 174.92 1jcy n ALA 2047N 5.01 2.46 -1.70 5.17 0.00 -1.26 -4.01 120.51 126.18 1jcy n ALA 2047Ca 0.19 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1jcy n ALA 2047Cb 0.47 -1.48 0.15 0.00 0.00 0.00 0.00 19.45 18.59 1jcy n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jcy n ASN 2048N -1.26 1.59 -4.71 0.00 2.04 -1.26 -5.08 115.26 106.58 1jcy n ASN 2048Ca 0.15 -3.29 -0.37 0.00 -0.44 0.00 0.00 54.58 50.63 1jcy n ASN 2048Cb 0.22 -0.45 0.07 0.00 -2.53 0.00 0.00 39.78 37.09 1jcy n ASN 2048CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1jcy n ARG 2049N -0.80 1.13 -0.10 -3.83 5.12 -1.26 -4.92 116.66 112.00 1jcy n ARG 2049Ca 0.15 0.44 -0.11 0.00 -1.93 0.00 0.00 57.85 56.40 1jcy n ARG 2049Cb 0.77 -2.48 -0.04 0.00 -1.16 0.00 0.00 32.46 29.55 1jcy n ARG 2049CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1jcy h SER 2050N 0.59 0.48 -2.97 0.55 0.02 -1.98 -3.44 113.55 106.80 1jcy h SER 2050Ca -0.51 -0.29 -0.61 0.00 -0.84 0.00 0.00 61.79 59.54 1jcy h SER 2050Cb 1.34 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1jcy h SER 2050CO 0.53 0.65 -0.33 -0.55 -1.14 0.00 0.00 176.83 175.99 1jcy s SER 2051N -5.97 6.56 0.47 3.07 0.15 -1.26 -4.98 113.70 111.75 1jcy s SER 2051Ca -0.13 0.66 0.26 0.00 0.70 0.00 0.00 55.95 57.44 1jcy s SER 2051Cb 0.08 -2.13 1.12 0.00 -1.71 0.00 0.00 66.02 63.38 1jcy s SER 2051CO 0.75 0.24 1.91 -0.29 1.20 0.00 0.00 173.24 177.05 1jcy h ILE 2052N 3.06 0.51 -0.32 6.45 6.09 -2.03 -2.92 117.51 128.35 1jcy h ILE 2052Ca -0.50 -0.90 0.00 0.00 -1.37 0.00 0.00 64.86 62.09 1jcy h ILE 2052Cb 1.20 1.62 0.00 0.00 0.47 0.00 0.00 36.82 40.11 1jcy h ILE 2052CO 0.66 0.18 0.00 1.41 -3.07 0.00 0.00 178.15 177.32 1jcy n HIS 2053N -3.43 0.42 -2.61 2.19 8.25 -1.26 -4.94 115.22 113.85 1jcy n HIS 2053Ca -0.00 -0.21 -0.26 0.00 -0.26 0.00 0.00 57.72 56.99 1jcy n HIS 2053Cb 0.36 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.49 1jcy n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1jcy s SER 2054N -1.22 5.75 0.13 0.41 0.01 -1.10 -5.04 113.70 112.63 1jcy s SER 2054Ca 0.29 0.60 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 1jcy s SER 2054Cb 0.16 -1.72 -0.08 0.00 0.21 0.00 0.00 66.02 64.59 1jcy s SER 2054CO 0.22 -0.89 1.39 0.12 0.41 0.00 0.00 173.24 174.49 1jcy s PHE 2055N -2.82 3.23 -0.14 2.43 5.36 -1.26 -4.93 117.98 119.85 1jcy s PHE 2055Ca 0.51 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 57.45 1jcy s PHE 2055Cb -0.10 -3.69 -0.08 0.00 -0.34 0.00 0.00 43.02 38.81 1jcy s PHE 2055CO 0.43 -2.38 -0.13 0.54 -1.46 0.00 0.00 175.22 172.22 1jcy n ARG 2056N 3.75 0.33 -0.77 10.12 1.74 -1.26 -4.69 116.66 125.88 1jcy n ARG 2056Ca 0.11 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1jcy n ARG 2056Cb 0.42 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1jcy n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jcy n GLY 2057N 2.71 0.59 0.67 -0.13 0.00 -1.26 0.02 105.19 107.79 1jcy n GLY 2057Ca -0.25 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.07 1jcy n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jcy n HIS 2058N 9.00 0.35 0.00 1.61 8.25 -1.25 -5.05 115.22 128.12 1jcy n HIS 2058Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1jcy n HIS 2058Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1jcy n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jcy n GLY 2059N 0.71 2.25 0.11 -1.41 0.00 -1.23 -4.45 105.19 101.16 1jcy n GLY 2059Ca 0.11 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 1jcy n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jcy h LEU 2060N 0.00 0.25 0.37 0.99 5.85 -1.99 -0.86 115.31 119.92 1jcy h LEU 2060Ca 0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1jcy h LEU 2060Cb 0.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1jcy h LEU 2060CO 0.00 0.25 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.82 1jcy h GLU 2061N 0.24 -0.51 -0.36 1.25 5.08 -1.97 0.28 114.58 118.59 1jcy h GLU 2061Ca 0.07 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1jcy h GLU 2061Cb 0.05 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1jcy h GLU 2061CO -0.01 -0.34 0.24 -0.92 -1.00 0.00 0.00 179.01 176.98 1jcy h TYR 2062N -0.53 0.43 0.21 4.33 3.20 -1.77 -1.45 116.97 121.39 1jcy h TYR 2062Ca -0.04 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1jcy h TYR 2062Cb 0.42 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1jcy h TYR 2062CO -0.07 0.27 -0.10 0.78 -1.64 0.00 0.00 178.16 177.40 1jcy h GLY 2063N 0.46 -0.29 1.86 1.82 0.00 -0.57 -2.14 103.07 104.21 1jcy h GLY 2063Ca 0.14 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1jcy h GLY 2063CO -0.03 -0.11 0.06 -2.08 0.00 0.00 0.00 176.54 174.38 1jcy h VAL 2064N -0.79 0.98 -0.04 4.60 2.07 -0.31 -0.62 116.25 122.14 1jcy h VAL 2064Ca -0.03 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1jcy h VAL 2064Cb 0.51 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1jcy h VAL 2064CO 0.05 0.01 -0.02 0.50 0.02 0.00 0.00 177.57 178.12 1jcy h LYS 2065N 0.03 0.09 -0.83 1.57 3.64 -1.26 -1.58 116.57 118.24 1jcy h LYS 2065Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1jcy h LYS 2065Cb 0.10 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1jcy h LYS 2065CO -0.00 0.49 0.43 0.00 -2.27 0.00 0.00 179.45 178.09 1jcy h ALA 2066N 0.60 1.19 0.00 5.00 0.00 -0.70 -1.55 119.26 123.80 1jcy h ALA 2066Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1jcy h ALA 2066Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jcy h ALA 2066CO 0.01 0.63 -0.35 -0.07 0.00 0.00 0.00 179.25 179.47 1jcy h LEU 2067N 1.17 0.00 -0.31 0.00 3.38 -1.09 -2.43 115.31 116.02 1jcy h LEU 2067Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 1jcy h LEU 2067Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jcy h LEU 2067CO -0.04 0.35 -0.04 0.03 0.09 0.00 0.00 178.44 178.83 1jcy h ARG 2068N 0.00 0.58 -0.85 1.13 3.08 -0.33 -2.50 114.38 115.50 1jcy h ARG 2068Ca -0.00 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 59.90 1jcy h ARG 2068Cb 0.64 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 1jcy h ARG 2068CO 0.05 0.74 0.56 -0.22 -1.07 0.00 0.00 179.97 180.02 1jcy h LYS 2069N 0.37 0.95 -0.14 0.04 1.63 -0.91 -0.31 116.57 118.19 1jcy h LYS 2069Ca 0.08 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1jcy h LYS 2069Cb 0.51 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1jcy h LYS 2069CO 0.02 0.63 -0.07 0.28 -3.45 0.00 0.00 179.45 176.86 1jcy h VAL 2070N 0.97 1.32 -0.56 2.00 2.07 -1.31 -0.09 116.25 120.65 1jcy h VAL 2070Ca 0.36 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1jcy h VAL 2070Cb 0.17 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1jcy h VAL 2070CO -0.12 0.33 0.08 0.50 0.02 0.00 0.00 177.57 178.37 1jcy h LYS 2071N -0.04 0.89 -0.03 1.57 3.64 -1.03 -0.43 116.57 121.15 1jcy h LYS 2071Ca 0.03 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1jcy h LYS 2071Cb 0.54 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1jcy h LYS 2071CO 0.02 0.84 -0.12 0.93 -2.27 0.00 0.00 179.45 178.84 1jcy h GLU 2072N 0.84 0.13 0.00 1.90 5.08 -1.06 0.37 114.58 121.85 1jcy h GLU 2072Ca 0.17 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1jcy h GLU 2072Cb 0.39 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1jcy h GLU 2072CO 0.01 0.76 -0.42 1.49 -1.00 0.00 0.00 179.01 179.85 1jcy h GLU 2073N -0.47 0.00 0.00 2.33 4.81 -0.99 -3.35 114.58 116.92 1jcy h GLU 2073Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1jcy h GLU 2073Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1jcy h GLU 2073CO 0.03 0.42 -0.24 1.19 -0.73 0.00 0.00 179.01 179.67 1jcy n PHE 2074N -3.80 0.00 -2.49 0.92 3.72 -0.18 -5.02 117.46 110.61 1jcy n PHE 2074Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1jcy n PHE 2074Cb 0.48 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1jcy n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jcy n GLY 2075N 1.28 -0.08 3.87 1.37 0.00 0.13 -5.01 105.19 106.75 1jcy n GLY 2075Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1jcy n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcy s LEU 2076N -3.87 4.40 0.80 0.99 1.43 -1.24 -5.04 118.68 116.15 1jcy s LEU 2076Ca 0.10 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 1jcy s LEU 2076Cb -0.04 -2.20 0.08 0.00 0.03 0.00 0.00 46.19 44.05 1jcy s LEU 2076CO 0.12 0.38 1.14 -0.54 0.23 0.00 0.00 176.35 177.68 1jcy s LYS 2077N -1.11 1.87 0.12 1.70 1.02 -1.26 -4.38 119.74 117.70 1jcy s LYS 2077Ca 0.17 1.45 0.08 0.00 0.02 0.00 0.00 55.97 57.70 1jcy s LYS 2077Cb -0.13 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1jcy s LYS 2077CO 0.07 -1.97 -0.19 0.42 -0.92 0.00 0.00 175.35 172.75 1jcy s ILE 2078N -2.55 1.66 -0.13 2.17 -1.09 -1.26 -1.26 121.20 118.74 1jcy s ILE 2078Ca 0.67 -1.65 -0.12 0.00 -2.23 0.00 0.00 60.65 57.32 1jcy s ILE 2078Cb -0.22 -1.60 0.03 0.00 -1.58 0.00 0.00 42.46 39.09 1jcy s ILE 2078CO 0.53 -0.18 0.35 0.28 -1.23 0.00 0.00 174.94 174.69 1jcy s THR 2079N -1.51 -0.00 0.15 2.92 -1.32 -0.49 0.49 115.64 115.89 1jcy s THR 2079Ca 0.09 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.40 1jcy s THR 2079Cb -0.08 -0.49 0.04 0.00 -1.51 0.00 0.00 72.50 70.45 1jcy s THR 2079CO 0.05 0.00 0.46 0.28 -2.21 0.00 0.00 174.62 173.19 1jcy s THR 2080N 0.21 0.05 0.07 5.08 -1.32 -1.21 -3.08 115.64 115.44 1jcy s THR 2080Ca -0.00 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1jcy s THR 2080Cb -0.03 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 1jcy s THR 2080CO 0.00 -0.22 0.21 1.51 -2.21 0.00 0.00 174.62 173.91 1jcy s ASP 2081N -2.82 6.30 0.22 8.08 -4.77 -1.26 -1.10 116.67 121.31 1jcy s ASP 2081Ca 0.05 0.24 0.08 0.00 -3.30 0.00 0.00 52.55 49.62 1jcy s ASP 2081Cb 0.01 -1.92 -0.04 0.00 -1.09 0.00 0.00 42.92 39.87 1jcy s ASP 2081CO -0.09 0.16 0.02 0.27 0.70 0.00 0.00 175.17 176.23 1jcy s ILE 2082N -1.52 3.69 0.00 2.11 -4.36 -0.79 -4.78 121.20 115.54 1jcy s ILE 2082Ca 0.35 -1.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.13 1jcy s ILE 2082Cb -0.13 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.67 1jcy s ILE 2082CO 0.28 -0.24 0.00 1.41 0.24 0.00 0.00 174.94 176.63 1jcy n HIS 2083N -0.52 0.00 -3.88 1.37 8.25 -1.26 -4.35 115.22 114.84 1jcy n HIS 2083Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1jcy n HIS 2083Cb 0.57 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 1jcy n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jcy s GLU 2084N -1.35 0.44 0.26 -0.41 2.02 -1.26 -5.07 118.70 113.33 1jcy s GLU 2084Ca 0.00 -0.37 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 1jcy s GLU 2084Cb 0.00 0.18 0.52 0.00 0.10 0.00 0.00 34.13 34.93 1jcy s GLU 2084CO 0.00 -0.10 1.63 0.77 0.02 0.00 0.00 175.26 177.58 1jcy h SER 2085N 4.44 -0.31 -0.15 -0.19 0.02 -1.91 -1.46 113.55 113.98 1jcy h SER 2085Ca -0.30 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1jcy h SER 2085Cb 1.20 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1jcy h SER 2085CO 0.41 -0.20 0.18 4.11 -1.14 0.00 0.00 176.83 180.19 1jcy h TRP 2086N 0.11 0.00 0.00 3.45 5.08 -1.98 -2.06 115.95 120.55 1jcy h TRP 2086Ca 0.46 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.39 1jcy h TRP 2086Cb 0.85 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.00 1jcy h TRP 2086CO -0.41 0.00 -0.21 1.96 -1.28 0.00 0.00 178.44 178.50 1jcy h GLN 2087N 0.00 0.00 -0.16 0.12 4.20 -1.69 -3.35 115.11 114.23 1jcy h GLN 2087Ca 0.07 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1jcy h GLN 2087Cb 0.44 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 1jcy h GLN 2087CO -0.00 0.21 -0.35 0.00 -0.67 0.00 0.00 178.83 178.01 1jcy h ALA 2088N 1.79 -0.42 0.48 3.87 0.00 -1.50 -2.09 119.26 121.38 1jcy h ALA 2088Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jcy h ALA 2088Cb 0.82 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1jcy h ALA 2088CO 0.03 -0.83 -0.46 1.49 0.00 0.00 0.00 179.25 179.48 1jcy h GLU 2089N -0.41 -0.91 -0.22 0.00 4.81 -1.79 -0.60 114.58 115.46 1jcy h GLU 2089Ca 0.10 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1jcy h GLU 2089Cb 0.57 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1jcy h GLU 2089CO -0.39 -0.60 0.11 -1.00 -0.73 0.00 0.00 179.01 176.40 1jcy h PRO 2090N -0.94 0.30 -0.14 0.92 0.13 -1.76 -2.31 132.00 128.20 1jcy h PRO 2090Ca -0.05 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.88 1jcy h PRO 2090Cb 0.82 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1jcy h PRO 2090CO -0.05 0.23 -0.63 0.28 -0.23 0.00 0.00 178.00 177.60 1jcy h VAL 2091N 0.30 1.34 0.00 1.56 2.07 -1.18 -3.02 116.25 117.32 1jcy h VAL 2091Ca 0.08 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1jcy h VAL 2091Cb 0.03 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1jcy h VAL 2091CO -0.01 0.59 0.00 0.00 0.02 0.00 0.00 177.57 178.17 1jcy h ALA 2092N 0.93 1.00 -0.38 1.67 0.00 -0.51 -0.70 119.26 121.26 1jcy h ALA 2092Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jcy h ALA 2092Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1jcy h ALA 2092CO 0.12 0.00 0.16 0.93 0.00 0.00 0.00 179.25 180.45 1jcy h GLU 2093N 0.00 0.54 0.00 0.00 4.39 -1.51 -3.35 114.58 114.64 1jcy h GLU 2093Ca 0.00 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1jcy h GLU 2093Cb 0.06 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1jcy h GLU 2093CO 0.00 0.44 -1.26 0.28 -1.16 0.00 0.00 179.01 177.32 1jcy n VAL 2094N -4.39 0.26 -2.04 3.13 0.31 -0.86 -5.02 118.33 109.72 1jcy n VAL 2094Ca 0.02 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1jcy n VAL 2094Cb 0.14 -0.71 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 1jcy n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jcy s ALA 2095N -2.09 3.62 0.16 3.52 0.00 -0.33 -4.49 121.76 122.16 1jcy s ALA 2095Ca -0.06 0.94 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1jcy s ALA 2095Cb 0.02 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1jcy s ALA 2095CO 0.10 -1.31 1.36 -0.44 0.00 0.00 0.00 175.76 175.48 1jcy h ASP 2096N 9.17 0.12 -3.29 0.00 3.32 -0.28 -3.43 116.42 122.02 1jcy h ASP 2096Ca -0.39 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.02 1jcy h ASP 2096Cb 1.18 -0.04 -0.35 0.00 0.22 0.00 0.00 39.33 40.34 1jcy h ASP 2096CO 0.95 0.96 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.98 1jcy s ILE 2097N -3.04 1.21 -0.20 0.35 1.01 -0.65 -2.49 121.20 117.39 1jcy s ILE 2097Ca -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 1jcy s ILE 2097Cb 0.10 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1jcy s ILE 2097CO 0.82 0.38 0.31 -0.63 0.00 0.00 0.00 174.94 175.82 1jcy s ILE 2098N 1.12 5.27 -0.15 2.92 1.01 0.56 -3.31 121.20 128.61 1jcy s ILE 2098Ca -0.05 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.00 1jcy s ILE 2098Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 1jcy s ILE 2098CO -0.02 0.31 0.24 -1.58 0.00 0.00 0.00 174.94 173.89 1jcy s GLN 2099N 1.01 4.10 -0.27 2.79 0.74 -0.26 -1.08 119.66 126.69 1jcy s GLN 2099Ca 0.15 0.01 -0.09 0.00 0.05 0.00 0.00 55.36 55.48 1jcy s GLN 2099Cb -0.14 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 1jcy s GLN 2099CO 0.06 0.37 0.14 0.42 -0.55 0.00 0.00 175.29 175.72 1jcy s ILE 2100N 0.10 4.91 0.64 -2.34 -1.09 0.04 -1.89 121.20 121.57 1jcy s ILE 2100Ca 0.15 0.03 -0.17 0.00 -2.23 0.00 0.00 60.65 58.42 1jcy s ILE 2100Cb -0.13 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1jcy s ILE 2100CO 0.03 0.29 1.00 -2.65 -1.23 0.00 0.00 174.94 172.38 1jcy n PRO 2101N 4.97 0.80 -0.07 2.79 -0.02 -1.26 -1.32 135.00 140.89 1jcy n PRO 2101Ca -0.15 0.32 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 1jcy n PRO 2101Cb 0.52 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1jcy n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jcy h ALA 2102N 0.26 0.31 0.00 3.55 0.00 -1.90 -1.45 119.26 120.04 1jcy h ALA 2102Ca -0.49 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1jcy h ALA 2102Cb 1.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1jcy h ALA 2102CO 0.50 -0.31 -0.03 0.74 0.00 0.00 0.00 179.25 180.15 1jcy h PHE 2103N 0.22 0.00 -0.62 0.00 0.04 -1.92 -2.70 116.94 111.97 1jcy h PHE 2103Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1jcy h PHE 2103Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1jcy h PHE 2103CO -0.13 0.03 0.00 1.28 -0.60 0.00 0.00 178.31 178.89 1jcy n LEU 2104N -3.33 3.81 0.02 1.54 4.77 -0.60 -4.60 117.00 118.62 1jcy n LEU 2104Ca -0.02 -2.08 0.03 0.00 -0.03 0.00 0.00 56.01 53.91 1jcy n LEU 2104Cb 0.16 -0.44 0.15 0.00 -2.33 0.00 0.00 43.42 40.96 1jcy n LEU 2104CO 0.25 0.89 0.60 0.00 -1.33 0.00 0.00 177.39 177.80 1jcy n ARG 2106N -1.62 1.23 -2.56 0.00 5.12 -1.26 -4.90 116.66 112.66 1jcy n ARG 2106Ca 0.01 -1.44 -0.41 0.00 -1.93 0.00 0.00 57.85 54.08 1jcy n ARG 2106Cb 0.05 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1jcy n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1jcy s GLN 2107N -1.00 3.34 0.23 5.56 -1.52 -0.61 -4.89 119.66 120.77 1jcy s GLN 2107Ca 0.17 -0.59 -0.11 0.00 -1.95 0.00 0.00 55.36 52.87 1jcy s GLN 2107Cb 0.11 -4.63 0.32 0.00 -0.22 0.00 0.00 33.01 28.60 1jcy s GLN 2107CO 0.16 -2.16 1.62 1.15 -0.25 0.00 0.00 175.29 175.81 1jcy h THR 2108N 6.31 0.32 -0.26 -0.19 2.02 -1.90 -1.72 112.91 117.49 1jcy h THR 2108Ca -0.10 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1jcy h THR 2108Cb 1.04 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1jcy h THR 2108CO 1.33 0.01 -0.06 0.44 0.37 0.00 0.00 175.52 177.61 1jcy h ASP 2109N 0.03 0.38 -0.35 4.18 3.32 -1.99 -0.62 116.42 121.38 1jcy h ASP 2109Ca 0.36 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 1jcy h ASP 2109Cb 0.57 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1jcy h ASP 2109CO -0.70 0.49 -0.19 0.25 -1.72 0.00 0.00 179.24 177.38 1jcy h LEU 2110N 0.39 0.77 -0.42 1.55 5.85 -1.71 0.19 115.31 121.93 1jcy h LEU 2110Ca 0.08 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1jcy h LEU 2110Cb 0.35 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1jcy h LEU 2110CO 0.02 1.01 0.10 -0.07 -0.34 0.00 0.00 178.44 179.16 1jcy h LEU 2111N 0.53 0.64 -0.58 2.25 3.38 -1.12 -1.66 115.31 118.76 1jcy h LEU 2111Ca 0.08 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1jcy h LEU 2111Cb 0.73 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1jcy h LEU 2111CO 0.05 0.71 -0.08 -0.07 0.09 0.00 0.00 178.44 179.15 1jcy h LEU 2112N 0.54 1.05 -0.69 1.67 3.38 -1.04 -0.79 115.31 119.43 1jcy h LEU 2112Ca 0.13 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1jcy h LEU 2112Cb 0.32 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jcy h LEU 2112CO 0.00 1.14 0.38 0.00 0.09 0.00 0.00 178.44 180.06 1jcy h ALA 2113N 0.95 0.89 -0.32 1.53 0.00 -0.82 -0.31 119.26 121.18 1jcy h ALA 2113Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jcy h ALA 2113Cb 0.65 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jcy h ALA 2113CO 0.04 0.40 -0.07 0.00 0.00 0.00 0.00 179.25 179.62 1jcy h ALA 2114N 1.19 0.44 -0.77 0.00 0.00 -1.10 -3.13 119.26 115.89 1jcy h ALA 2114Ca 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jcy h ALA 2114Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1jcy h ALA 2114CO -0.04 0.27 0.37 0.00 0.00 0.00 0.00 179.25 179.85 1jcy h ALA 2115N 0.80 1.22 0.00 0.00 0.00 -0.87 -2.74 119.26 117.67 1jcy h ALA 2115Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jcy h ALA 2115Cb 0.56 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jcy h ALA 2115CO 0.03 0.60 -0.01 -0.22 0.00 0.00 0.00 179.25 179.66 1jcy h LYS 2116N 1.08 0.00 0.00 0.00 3.64 -1.00 -2.37 116.57 117.92 1jcy h LYS 2116Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1jcy h LYS 2116Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1jcy h LYS 2116CO -0.03 0.01 0.00 0.25 -2.27 0.00 0.00 179.45 177.40 1jcy n THR 2117N -3.13 0.62 0.00 1.00 -2.24 -1.03 -4.89 114.28 104.61 1jcy n THR 2117Ca -0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jcy n THR 2117Cb 0.14 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 1jcy n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jcy n GLY 2118N 0.72 2.46 3.74 3.38 0.00 -0.89 -5.03 105.19 109.58 1jcy n GLY 2118Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1jcy n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jcy s ARG 2119N -0.39 0.86 0.44 1.61 1.81 -1.26 -4.90 118.95 117.11 1jcy s ARG 2119Ca 0.00 0.38 -0.21 0.00 -1.72 0.00 0.00 55.73 54.18 1jcy s ARG 2119Cb 0.00 -1.80 -0.10 0.00 -0.45 0.00 0.00 34.95 32.60 1jcy s ARG 2119CO 0.00 -2.41 0.99 0.00 -0.68 0.00 0.00 175.30 173.20 1jcy s ALA 2120N -3.15 3.00 -0.09 2.13 0.00 -1.04 -4.77 121.76 117.84 1jcy s ALA 2120Ca 0.64 0.51 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1jcy s ALA 2120Cb -0.16 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1jcy s ALA 2120CO 0.55 -0.05 -0.18 0.08 0.00 0.00 0.00 175.76 176.16 1jcy s VAL 2121N -2.02 1.58 -0.26 0.00 1.01 -0.63 -0.33 120.40 119.75 1jcy s VAL 2121Ca 0.63 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1jcy s VAL 2121Cb -0.13 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1jcy s VAL 2121CO 0.17 0.45 -0.06 0.21 0.00 0.00 0.00 175.10 175.88 1jcy s ASN 2122N 0.55 4.39 -0.29 3.32 3.04 -0.24 -0.83 114.94 124.88 1jcy s ASN 2122Ca -0.16 -0.98 -0.11 0.00 0.04 0.00 0.00 52.86 51.65 1jcy s ASN 2122Cb -0.17 -1.66 -0.04 0.00 -1.54 0.00 0.00 41.25 37.84 1jcy s ASN 2122CO 0.05 -0.15 0.19 -0.69 -3.04 0.00 0.00 177.10 173.47 1jcy s VAL 2123N 1.29 5.25 -0.01 -5.21 1.01 -0.25 -0.78 120.40 121.71 1jcy s VAL 2123Ca -0.01 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1jcy s VAL 2123Cb -0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1jcy s VAL 2123CO -0.04 0.20 1.42 -0.54 0.00 0.00 0.00 175.10 176.14 1jcy s LYS 2124N 1.74 4.27 -0.05 2.72 -0.14 -0.44 -1.23 119.74 126.62 1jcy s LYS 2124Ca 0.07 1.98 -0.30 0.00 -1.36 0.00 0.00 55.97 56.36 1jcy s LYS 2124Cb -0.16 -3.61 -0.05 0.00 -1.68 0.00 0.00 37.83 32.33 1jcy s LYS 2124CO 0.11 -0.60 1.59 0.21 -0.76 0.00 0.00 175.35 175.89 1jcy s LYS 2125N 2.56 4.20 0.52 1.68 2.20 -0.13 -3.98 119.74 126.79 1jcy s LYS 2125Ca 0.64 2.12 -0.22 0.00 -0.36 0.00 0.00 55.97 58.15 1jcy s LYS 2125Cb -0.31 -3.90 -0.07 0.00 -1.51 0.00 0.00 37.83 32.04 1jcy s LYS 2125CO 0.26 -0.80 1.14 0.41 -0.36 0.00 0.00 175.35 176.00 1jcy n GLY 2126N 4.02 0.15 0.07 5.54 0.00 -1.24 -4.57 105.19 109.16 1jcy n GLY 2126Ca 0.16 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1jcy n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jcy n GLN 2127N -0.58 0.08 0.00 1.61 3.00 -1.26 -1.51 117.38 118.72 1jcy n GLN 2127Ca 0.11 0.45 0.10 0.00 -0.01 0.00 0.00 57.00 57.65 1jcy n GLN 2127Cb 0.43 -1.70 -0.04 0.00 0.00 0.00 0.00 30.24 28.94 1jcy n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1jcy n PHE 2128N -1.86 0.00 -3.32 1.08 1.16 -1.26 -1.38 117.46 111.88 1jcy n PHE 2128Ca 0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.21 1jcy n PHE 2128Cb 0.11 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.92 1jcy n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1jcy s LEU 2129N -2.59 4.48 0.39 5.98 2.96 -0.57 -5.06 118.68 124.27 1jcy s LEU 2129Ca 0.15 1.19 -0.12 0.00 -0.22 0.00 0.00 54.13 55.13 1jcy s LEU 2129Cb 0.17 -2.93 -0.07 0.00 0.50 0.00 0.00 46.19 43.86 1jcy s LEU 2129CO 0.64 0.25 0.76 0.00 -1.32 0.00 0.00 176.35 176.68 1jcy s ALA 2130N -1.18 3.34 0.20 5.97 0.00 -1.26 -4.90 121.76 123.92 1jcy s ALA 2130Ca 0.30 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 1jcy s ALA 2130Cb -0.18 -2.72 0.22 0.00 0.00 0.00 0.00 23.12 20.44 1jcy s ALA 2130CO 0.18 0.06 1.75 -1.35 0.00 0.00 0.00 175.76 176.41 1jcy h PRO 2131N 1.47 0.40 0.00 0.00 0.11 -1.98 -1.51 132.00 130.49 1jcy h PRO 2131Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jcy h PRO 2131Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jcy h PRO 2131CO 0.64 0.26 0.00 0.11 -0.21 0.00 0.00 178.00 178.80 1jcy h TRP 2132N 0.41 0.00 0.00 0.65 0.09 -1.93 -2.24 115.95 112.93 1jcy h TRP 2132Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.25 1jcy h TRP 2132Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.54 1jcy h TRP 2132CO -0.16 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.12 1jcy n ASP 2133N -2.82 0.00 0.06 0.11 8.00 -0.57 -2.81 116.55 118.53 1jcy n ASP 2133Ca -0.00 -0.19 0.13 0.00 0.71 0.00 0.00 54.79 55.44 1jcy n ASP 2133Cb 0.19 -0.25 0.45 0.00 -0.02 0.00 0.00 41.12 41.49 1jcy n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jcy n THR 2134N -1.25 0.37 -0.17 -3.53 -2.24 -0.84 -3.59 114.28 103.03 1jcy n THR 2134Ca 0.13 -0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1jcy n THR 2134Cb 0.19 -0.49 0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1jcy n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jcy h LYS 2135N 0.00 0.51 -0.18 -0.78 3.64 -1.73 -1.42 116.57 116.61 1jcy h LYS 2135Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1jcy h LYS 2135Cb 0.65 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1jcy h LYS 2135CO 0.00 0.34 -0.17 -0.91 -2.27 0.00 0.00 179.45 176.44 1jcy h ASN 2136N 0.53 0.29 -0.25 4.20 -0.26 -1.81 -1.83 115.58 116.45 1jcy h ASN 2136Ca 0.22 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1jcy h ASN 2136Cb 0.11 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1jcy h ASN 2136CO -0.14 0.49 0.14 0.58 -1.06 0.00 0.00 177.43 177.43 1jcy h VAL 2137N 0.28 1.12 -0.54 2.81 2.07 -1.43 -1.64 116.25 118.92 1jcy h VAL 2137Ca 0.05 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jcy h VAL 2137Cb 0.47 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1jcy h VAL 2137CO 0.03 0.12 0.35 0.58 0.02 0.00 0.00 177.57 178.67 1jcy h VAL 2138N 0.29 1.14 -0.98 2.57 2.07 -1.00 -2.29 116.25 118.06 1jcy h VAL 2138Ca 0.09 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1jcy h VAL 2138Cb 0.07 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1jcy h VAL 2138CO -0.01 0.14 0.63 -0.08 0.02 0.00 0.00 177.57 178.27 1jcy h GLU 2139N 0.73 1.05 -0.26 1.57 4.81 -0.97 0.41 114.58 121.92 1jcy h GLU 2139Ca 0.20 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jcy h GLU 2139Cb -0.07 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 1jcy h GLU 2139CO -0.04 0.69 0.15 0.87 -0.73 0.00 0.00 179.01 179.95 1jcy h LYS 2140N 1.08 0.35 -0.71 1.92 1.57 -0.74 0.14 116.57 120.18 1jcy h LYS 2140Ca 0.44 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.15 1jcy h LYS 2140Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1jcy h LYS 2140CO -0.20 0.30 0.29 -0.07 -0.57 0.00 0.00 179.45 179.21 1jcy h LEU 2141N 0.31 0.97 -0.46 2.94 3.38 -1.00 -0.87 115.31 120.60 1jcy h LEU 2141Ca 0.09 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1jcy h LEU 2141Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1jcy h LEU 2141CO -0.02 0.88 0.18 0.11 0.09 0.00 0.00 178.44 179.68 1jcy h LYS 2142N 1.01 0.69 -0.21 1.13 1.57 -0.72 0.61 116.57 120.66 1jcy h LYS 2142Ca 0.24 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1jcy h LYS 2142Cb 0.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1jcy h LYS 2142CO -0.02 0.63 0.14 0.35 -0.57 0.00 0.00 179.45 179.98 1jcy h PHE 2143N 0.60 0.16 -0.05 -1.35 3.57 -0.59 -0.31 116.94 118.96 1jcy h PHE 2143Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1jcy h PHE 2143Cb 0.21 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1jcy h PHE 2143CO 0.00 0.09 0.00 0.41 -2.23 0.00 0.00 178.31 176.59 1jcy n GLY 2144N -1.53 -0.42 0.61 2.40 0.00 -0.36 -4.90 105.19 100.98 1jcy n GLY 2144Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1jcy n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcy n GLY 2145N 1.01 0.83 3.77 -0.02 0.00 -0.13 -3.70 105.19 106.95 1jcy n GLY 2145Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1jcy n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcy s ALA 2146N -2.07 3.23 0.00 4.61 0.00 0.11 -4.90 121.76 122.74 1jcy s ALA 2146Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1jcy s ALA 2146Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1jcy s ALA 2146CO 0.00 -0.01 0.00 1.63 0.00 0.00 0.00 175.76 177.38 1jcy n LYS 2147N 0.62 2.58 -3.59 0.00 5.02 -1.26 -4.33 118.16 117.21 1jcy n LYS 2147Ca 0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 1jcy n LYS 2147Cb 0.48 -0.86 -0.09 0.00 -0.02 0.00 0.00 35.03 34.55 1jcy n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1jcy s GLU 2148N -1.65 2.44 -0.08 1.97 2.12 -1.26 -5.06 118.70 117.18 1jcy s GLU 2148Ca 0.00 -1.83 0.03 0.00 0.36 0.00 0.00 54.97 53.53 1jcy s GLU 2148Cb 0.00 -3.88 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 1jcy s GLU 2148CO 0.00 -1.18 -0.17 0.42 -0.54 0.00 0.00 175.26 173.79 1jcy s ILE 2149N 1.22 2.72 0.09 -3.70 1.01 -1.26 -1.60 121.20 119.68 1jcy s ILE 2149Ca 0.07 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.98 1jcy s ILE 2149Cb -0.25 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1jcy s ILE 2149CO -0.02 0.56 -0.20 -0.31 0.00 0.00 0.00 174.94 174.97 1jcy s TYR 2150N -0.16 1.76 -0.10 3.97 1.51 -0.01 -2.93 117.35 121.38 1jcy s TYR 2150Ca -0.02 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1jcy s TYR 2150Cb -0.14 -0.98 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1jcy s TYR 2150CO 0.04 0.18 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.97 1jcy s LEU 2151N -1.76 1.82 -0.19 -1.29 1.43 -0.33 -1.09 118.68 117.26 1jcy s LEU 2151Ca 0.06 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1jcy s LEU 2151Cb -0.10 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1jcy s LEU 2151CO 0.04 0.05 -0.02 -0.89 0.23 0.00 0.00 176.35 175.76 1jcy s THR 2152N 0.81 3.89 -0.18 5.49 2.01 -0.36 -1.09 115.64 126.20 1jcy s THR 2152Ca -0.10 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1jcy s THR 2152Cb -0.16 -2.74 -0.00 0.00 0.01 0.00 0.00 72.50 69.61 1jcy s THR 2152CO 0.01 0.45 1.01 -0.70 -0.69 0.00 0.00 174.62 174.69 1jcy s GLU 2153N 0.82 4.32 -0.02 4.92 2.56 0.33 -0.95 118.70 130.67 1jcy s GLU 2153Ca -0.00 1.34 0.14 0.00 0.00 0.00 0.00 54.97 56.44 1jcy s GLU 2153Cb -0.14 -3.60 0.24 0.00 2.00 0.00 0.00 34.13 32.63 1jcy s GLU 2153CO 0.02 -0.49 1.10 2.89 -0.56 0.00 0.00 175.26 178.22 1jcy n ARG 2154N 5.75 0.20 0.00 4.30 -4.01 -1.26 -0.52 116.66 121.11 1jcy n ARG 2154Ca 0.10 -1.71 0.00 0.00 -1.04 0.00 0.00 57.85 55.20 1jcy n ARG 2154Cb 0.47 -0.43 0.00 0.00 -3.04 0.00 0.00 32.46 29.47 1jcy n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1jcy n GLY 2155N 0.04 1.40 3.20 2.89 0.00 -1.26 -3.92 105.19 107.54 1jcy n GLY 2155Ca 0.05 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1jcy n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jcy s THR 2156N -2.87 1.41 0.02 2.61 2.01 0.18 -4.34 115.64 114.65 1jcy s THR 2156Ca 0.00 -1.12 -0.34 0.00 0.31 0.00 0.00 61.69 60.55 1jcy s THR 2156Cb 0.00 -1.24 -0.13 0.00 0.01 0.00 0.00 72.50 71.14 1jcy s THR 2156CO 0.00 0.10 1.76 0.41 -0.69 0.00 0.00 174.62 176.20 1jcy n THR 2157N 1.85 0.34 -3.65 -0.82 -1.04 -0.48 -1.48 114.28 109.00 1jcy n THR 2157Ca -0.18 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 1jcy n THR 2157Cb 0.54 -1.74 -0.13 0.00 -1.82 0.00 0.00 70.33 67.18 1jcy n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1jcy s PHE 2158N 2.75 1.75 0.00 -1.42 5.36 -0.72 -4.86 117.98 120.84 1jcy s PHE 2158Ca 0.87 -2.31 0.00 0.00 -0.96 0.00 0.00 56.93 54.53 1jcy s PHE 2158Cb -0.68 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 1jcy s PHE 2158CO 0.46 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.84 1jcy n GLY 2159N 3.51 -0.49 3.88 13.12 0.00 -1.26 -4.34 105.19 119.59 1jcy n GLY 2159Ca 0.11 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1jcy n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jcy s TYR 2160N 0.00 3.60 -1.57 1.61 2.02 -1.26 -4.49 117.35 117.25 1jcy s TYR 2160Ca 0.00 0.62 -0.14 0.00 -0.37 0.00 0.00 57.07 57.18 1jcy s TYR 2160Cb 0.00 -2.02 0.10 0.00 -0.40 0.00 0.00 41.96 39.64 1jcy s TYR 2160CO 0.00 0.63 0.88 0.09 -1.57 0.00 0.00 175.55 175.59 1jcy n ASN 2161N 1.34 -3.95 -3.58 2.29 3.02 -1.26 -4.96 115.26 108.16 1jcy n ASN 2161Ca -0.13 -0.87 -0.16 0.00 -0.03 0.00 0.00 54.58 53.39 1jcy n ASN 2161Cb 0.53 -3.49 -0.07 0.00 -0.61 0.00 0.00 39.78 36.15 1jcy n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jcy s ASN 2162N -3.40 -0.62 0.04 6.41 3.04 -1.26 -4.10 114.94 115.05 1jcy s ASN 2162Ca 0.63 0.81 0.06 0.00 0.04 0.00 0.00 52.86 54.40 1jcy s ASN 2162Cb -0.33 0.73 -0.02 0.00 -1.54 0.00 0.00 41.25 40.09 1jcy s ASN 2162CO 0.86 -0.49 -0.17 -0.76 -3.04 0.00 0.00 177.10 173.51 1jcy s LEU 2163N -0.80 2.16 0.05 3.21 1.43 -1.26 -1.76 118.68 121.72 1jcy s LEU 2163Ca -0.08 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1jcy s LEU 2163Cb -0.02 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1jcy s LEU 2163CO 0.07 0.09 -0.22 0.54 0.23 0.00 0.00 176.35 177.06 1jcy s VAL 2164N -0.81 1.80 -0.38 -1.59 0.11 -0.55 -4.85 120.40 114.12 1jcy s VAL 2164Ca 0.04 -1.28 -0.13 0.00 -2.93 0.00 0.00 61.98 57.68 1jcy s VAL 2164Cb -0.08 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1jcy s VAL 2164CO 0.01 0.23 0.26 -0.69 -3.33 0.00 0.00 175.10 171.58 1jcy s VAL 2165N -0.83 5.04 -0.62 2.04 1.01 -1.26 -0.65 120.40 125.14 1jcy s VAL 2165Ca 0.09 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 1jcy s VAL 2165Cb -0.09 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1jcy s VAL 2165CO 0.02 -0.22 0.87 -0.62 0.00 0.00 0.00 175.10 175.15 1jcy s ASP 2166N 1.65 6.20 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.60 1jcy s ASP 2166Ca 0.04 -1.00 0.10 0.00 -0.52 0.00 0.00 52.55 51.17 1jcy s ASP 2166Cb -0.19 -2.38 0.44 0.00 -1.46 0.00 0.00 42.92 39.33 1jcy s ASP 2166CO 0.09 -1.29 1.27 0.49 0.52 0.00 0.00 175.17 176.25 1jcy n PHE 2167N 7.23 0.00 0.29 -5.34 3.01 -1.26 -1.76 117.46 119.63 1jcy n PHE 2167Ca -0.05 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.59 1jcy n PHE 2167Cb 0.45 -0.43 0.88 0.00 -0.01 0.00 0.00 39.48 40.37 1jcy n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jcy h ARG 2168N 0.00 0.00 -0.44 -1.08 3.08 -2.03 -2.72 114.38 111.19 1jcy h ARG 2168Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1jcy h ARG 2168Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1jcy h ARG 2168CO 0.00 0.04 0.15 0.66 -1.07 0.00 0.00 179.97 179.75 1jcy h SER 2169N 0.00 0.58 0.60 7.04 4.64 -1.77 -2.96 113.55 121.68 1jcy h SER 2169Ca -0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1jcy h SER 2169Cb 0.27 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1jcy h SER 2169CO 0.01 0.55 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.96 1jcy h LEU 2170N 0.63 -1.30 -1.66 5.97 4.07 -1.71 0.61 115.31 121.93 1jcy h LEU 2170Ca 0.15 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.17 1jcy h LEU 2170Cb 0.17 0.41 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 1jcy h LEU 2170CO -0.01 -0.69 -0.12 1.55 -1.08 0.00 0.00 178.44 178.09 1jcy h PRO 2171N -1.06 0.06 0.09 1.13 0.13 -1.74 -2.18 132.00 128.44 1jcy h PRO 2171Ca -0.07 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1jcy h PRO 2171Cb 0.89 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1jcy h PRO 2171CO -0.00 0.19 -0.05 0.82 -0.23 0.00 0.00 178.00 178.73 1jcy h ILE 2172N 0.06 1.12 0.00 -3.56 2.04 -1.31 -3.19 117.51 112.67 1jcy h ILE 2172Ca 0.01 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1jcy h ILE 2172Cb 0.26 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1jcy h ILE 2172CO 0.02 0.22 -0.18 0.24 0.00 0.00 0.00 178.15 178.44 1jcy h MET 2173N -0.55 0.00 0.00 2.37 2.86 -0.78 -2.51 114.93 116.31 1jcy h MET 2173Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1jcy h MET 2173Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1jcy h MET 2173CO 0.02 0.18 0.00 -0.22 1.06 0.00 0.00 176.91 177.95 1jcy h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.37 -2.18 116.57 116.36 1jcy h LYS 2174Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1jcy h LYS 2174Cb 0.44 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1jcy h LYS 2174CO 0.02 0.00 -0.14 1.96 -3.45 0.00 0.00 179.45 177.84 1jcy h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.54 -3.31 115.11 116.36 1jcy h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jcy h GLN 2175Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1jcy h GLN 2175CO 0.00 0.14 -0.03 -2.67 -0.67 0.00 0.00 178.83 175.60 1jcy n TRP 2176N -3.53 0.00 -3.60 2.96 2.14 -0.86 -5.11 117.44 109.43 1jcy n TRP 2176Ca -0.01 -0.14 -0.03 0.00 2.07 0.00 0.00 57.50 59.39 1jcy n TRP 2176Cb 0.29 -0.02 -0.01 0.00 -0.81 0.00 0.00 31.31 30.75 1jcy n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1jcy s ALA 2177N -0.30 -2.06 0.29 -1.67 0.00 -0.98 -4.97 121.76 112.06 1jcy s ALA 2177Ca 0.01 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 1jcy s ALA 2177Cb 0.01 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 23.19 1jcy s ALA 2177CO 0.00 -0.78 1.04 0.15 0.00 0.00 0.00 175.76 176.16 1jcy s LYS 2178N -2.58 4.64 -0.14 0.00 1.02 -1.15 -4.02 119.74 117.51 1jcy s LYS 2178Ca 0.11 1.64 -0.02 0.00 0.02 0.00 0.00 55.97 57.72 1jcy s LYS 2178Cb 0.01 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1jcy s LYS 2178CO -0.04 0.26 -0.07 0.08 -0.92 0.00 0.00 175.35 174.65 1jcy s VAL 2179N -1.26 3.57 -0.05 3.17 1.01 -1.26 -1.19 120.40 124.39 1jcy s VAL 2179Ca 0.46 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.00 1jcy s VAL 2179Cb -0.28 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1jcy s VAL 2179CO 0.36 0.52 -0.16 -0.63 0.00 0.00 0.00 175.10 175.18 1jcy s ILE 2180N 0.21 2.90 -0.25 2.22 -1.09 -0.25 0.18 121.20 125.12 1jcy s ILE 2180Ca -0.05 -0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 57.51 1jcy s ILE 2180Cb -0.14 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1jcy s ILE 2180CO 0.04 0.59 0.09 -0.47 -1.23 0.00 0.00 174.94 173.96 1jcy s TYR 2181N -0.69 3.13 -0.66 3.97 5.04 -0.46 -0.51 117.35 127.17 1jcy s TYR 2181Ca 0.11 -0.26 -0.25 0.00 -2.44 0.00 0.00 57.07 54.22 1jcy s TYR 2181Cb -0.11 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 39.99 1jcy s TYR 2181CO 0.00 -0.27 1.11 0.34 -1.34 0.00 0.00 175.55 175.40 1jcy s ASP 2182N 1.53 6.24 0.48 4.32 -1.08 0.32 -0.47 116.67 128.01 1jcy s ASP 2182Ca 0.06 -0.50 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 1jcy s ASP 2182Cb -0.15 -2.50 0.74 0.00 -1.46 0.00 0.00 42.92 39.55 1jcy s ASP 2182CO 0.05 -1.56 1.76 0.00 0.52 0.00 0.00 175.17 175.94 1jcy h ALA 2183N 9.69 1.00 0.02 3.66 0.00 -1.24 -3.20 119.26 129.18 1jcy h ALA 2183Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.26 1jcy h ALA 2183Cb 1.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1jcy h ALA 2183CO 1.20 0.00 -2.31 0.25 0.00 0.00 0.00 179.25 178.39 1jcy n THR 2184N -3.09 1.52 0.30 0.00 -2.24 -1.25 -4.45 114.28 105.05 1jcy n THR 2184Ca 0.03 -0.69 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1jcy n THR 2184Cb 0.44 -1.16 0.16 0.00 -2.10 0.00 0.00 70.33 67.68 1jcy n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1jcy h HIS 2185N 0.01 0.00 0.00 4.78 3.86 -1.91 -3.30 115.15 118.59 1jcy h HIS 2185Ca -0.52 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.68 1jcy h HIS 2185Cb 2.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.50 1jcy h HIS 2185CO 0.03 0.00 -0.04 0.77 0.86 0.00 0.00 177.93 179.55 1jcy h SER 2186N 0.00 0.00 -0.19 2.45 0.02 -1.67 -2.76 113.55 111.40 1jcy h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jcy h SER 2186Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1jcy h SER 2186CO 0.00 0.04 0.00 1.33 -1.14 0.00 0.00 176.83 177.06 1jcy n VAL 2187N -3.16 0.29 -2.67 2.27 0.24 -1.24 -4.70 118.33 109.35 1jcy n VAL 2187Ca 0.00 -0.64 -0.34 0.00 -2.04 0.00 0.00 64.34 61.31 1jcy n VAL 2187Cb 0.31 1.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.77 1jcy n VAL 2187CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1jcy s GLN 2188N -1.45 4.12 -0.42 7.34 -0.21 -1.04 -2.43 119.66 125.56 1jcy s GLN 2188Ca 0.28 1.29 -0.10 0.00 0.02 0.00 0.00 55.36 56.85 1jcy s GLN 2188Cb 0.18 -2.29 0.07 0.00 1.00 0.00 0.00 33.01 31.97 1jcy s GLN 2188CO 0.25 -0.15 0.27 -0.51 -2.12 0.00 0.00 175.29 173.04 1jcy s LEU 2189N -3.06 5.17 0.16 2.90 1.43 -1.26 -4.25 118.68 119.76 1jcy s LEU 2189Ca 0.62 -1.43 -0.33 0.00 -1.03 0.00 0.00 54.13 51.96 1jcy s LEU 2189Cb -0.15 -2.02 -0.16 0.00 0.03 0.00 0.00 46.19 43.89 1jcy s LEU 2189CO 0.19 -0.54 1.05 -2.65 0.23 0.00 0.00 176.35 174.63 1jcy n PRO 2190N 4.96 0.83 -1.10 1.29 -0.02 -1.26 -4.64 135.00 135.06 1jcy n PRO 2190Ca -0.11 0.29 -0.03 0.00 -2.02 0.00 0.00 63.50 61.64 1jcy n PRO 2190Cb 0.43 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1jcy n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcy n GLY 2191N 1.90 0.45 3.52 -1.23 0.00 -1.26 -4.31 105.19 104.25 1jcy n GLY 2191Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1jcy n GLY 2191CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jcy s GLY 2199N -2.18 0.75 -0.35 -0.02 0.00 -1.26 -5.04 107.32 99.22 1jcy s GLY 2199Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1jcy s GLY 2199CO 0.00 -0.78 0.20 1.06 0.00 0.00 0.00 173.10 173.58 1jcy s MET 2200N -3.96 3.07 0.55 2.90 -1.94 -1.02 -4.75 119.30 114.15 1jcy s MET 2200Ca 0.26 -0.92 0.28 0.00 -1.71 0.00 0.00 55.69 53.60 1jcy s MET 2200Cb 0.01 -3.70 1.62 0.00 2.01 0.00 0.00 34.83 34.77 1jcy s MET 2200CO 0.10 -0.59 2.16 -0.09 -0.01 0.00 0.00 175.02 176.60 1jcy h ARG 2201N 8.43 0.00 0.00 2.03 2.43 -1.90 -2.41 114.38 122.95 1jcy h ARG 2201Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1jcy h ARG 2201Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1jcy h ARG 2201CO 0.65 0.06 0.00 1.05 -1.51 0.00 0.00 179.97 180.22 1jcy h GLU 2202N 0.00 0.00 -0.01 0.20 4.11 -1.93 -2.56 114.58 114.39 1jcy h GLU 2202Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jcy h GLU 2202Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1jcy h GLU 2202CO 0.01 0.00 -0.77 1.19 0.07 0.00 0.00 179.01 179.51 1jcy n PHE 2203N -2.52 0.00 0.19 2.06 3.72 -0.91 -4.58 117.46 115.43 1jcy n PHE 2203Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1jcy n PHE 2203Cb 0.12 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.59 1jcy n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1jcy h ILE 2204N 1.06 0.33 -0.15 4.37 2.04 -1.59 -2.21 117.51 121.36 1jcy h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1jcy h ILE 2204Cb 0.61 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1jcy h ILE 2204CO 0.00 0.00 0.05 0.15 0.00 0.00 0.00 178.15 178.35 1jcy h PHE 2205N -0.65 0.24 -0.59 1.37 -0.00 -1.81 -1.84 116.94 113.66 1jcy h PHE 2205Ca -0.01 -0.02 0.09 0.00 -0.00 0.00 0.00 57.97 58.03 1jcy h PHE 2205Cb 0.61 -0.07 -0.07 0.00 -0.00 0.00 0.00 35.95 36.41 1jcy h PHE 2205CO -0.21 0.34 0.21 -1.35 -0.00 0.00 0.00 178.31 177.30 1jcy h PRO 2206N 0.07 0.37 0.00 6.41 0.11 -1.80 -1.05 132.00 136.11 1jcy h PRO 2206Ca 0.05 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 1jcy h PRO 2206Cb 0.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1jcy h PRO 2206CO -0.00 0.24 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.44 1jcy h LEU 2207N 0.38 0.00 -0.48 2.35 3.38 -1.33 -2.53 115.31 117.08 1jcy h LEU 2207Ca 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 1jcy h LEU 2207Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jcy h LEU 2207CO -0.31 0.52 -0.56 -0.29 0.09 0.00 0.00 178.44 177.90 1jcy h ILE 2208N 0.00 1.32 -0.78 1.22 2.10 -0.78 -1.18 117.51 119.41 1jcy h ILE 2208Ca -0.01 -1.80 -0.02 0.00 1.08 0.00 0.00 64.86 64.11 1jcy h ILE 2208Cb 1.15 1.76 -0.04 0.00 -1.09 0.00 0.00 36.82 38.61 1jcy h ILE 2208CO 0.07 0.56 0.40 0.03 -1.08 0.00 0.00 178.15 178.13 1jcy h ARG 2209N 0.46 1.11 -0.51 2.19 3.08 -1.03 -2.23 114.38 117.45 1jcy h ARG 2209Ca 0.01 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1jcy h ARG 2209Cb 1.11 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1jcy h ARG 2209CO 0.11 0.84 0.30 0.00 -1.07 0.00 0.00 179.97 180.15 1jcy h ALA 2210N 1.21 0.65 -0.62 0.04 0.00 -1.16 -1.35 119.26 118.03 1jcy h ALA 2210Ca 0.27 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1jcy h ALA 2210Cb 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1jcy h ALA 2210CO -0.04 0.14 0.34 0.00 0.00 0.00 0.00 179.25 179.69 1jcy h ALA 2211N 1.14 0.81 0.00 0.00 0.00 -0.65 0.69 119.26 121.26 1jcy h ALA 2211Ca 0.18 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1jcy h ALA 2211Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jcy h ALA 2211CO -0.03 0.02 -0.72 -0.39 0.00 0.00 0.00 179.25 178.12 1jcy h VAL 2212N 0.64 1.46 -0.34 0.00 -1.51 -1.27 0.29 116.25 115.52 1jcy h VAL 2212Ca 0.27 -2.53 -0.13 0.00 -1.23 0.00 0.00 66.70 63.09 1jcy h VAL 2212Cb 0.15 2.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1jcy h VAL 2212CO -0.17 0.71 -0.31 0.00 -1.23 0.00 0.00 177.57 176.57 1jcy h ALA 2213N 1.28 0.81 -0.08 5.19 0.00 -0.66 -3.11 119.26 122.69 1jcy h ALA 2213Ca -0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1jcy h ALA 2213Cb 1.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jcy h ALA 2213CO 0.09 0.64 -0.21 0.28 0.00 0.00 0.00 179.25 180.06 1jcy h VAL 2214N 0.63 1.42 0.00 0.00 2.07 -0.74 -3.47 116.25 116.15 1jcy h VAL 2214Ca 0.07 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1jcy h VAL 2214Cb 0.83 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1jcy h VAL 2214CO 0.07 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.71 1jcy n GLY 2215N 0.53 2.77 3.35 2.17 0.00 0.08 -4.82 105.19 109.26 1jcy n GLY 2215Ca -0.08 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1jcy n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcy n ASP 2217N -0.66 1.79 0.00 0.00 8.00 0.13 -4.99 116.55 120.82 1jcy n ASP 2217Ca 0.02 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.15 1jcy n ASP 2217Cb 0.64 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1jcy n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jcy n GLY 2218N 1.42 0.64 3.20 0.44 0.00 -1.14 -1.51 105.19 108.23 1jcy n GLY 2218Ca 0.09 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1jcy n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcy s VAL 2219N -2.00 1.32 -0.15 1.61 1.01 0.06 -1.36 120.40 120.89 1jcy s VAL 2219Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.72 1jcy s VAL 2219Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.17 1jcy s VAL 2219CO 0.00 -0.08 -0.17 0.12 0.00 0.00 0.00 175.10 174.97 1jcy s PHE 2220N -1.08 2.75 -0.02 5.22 2.19 0.38 -0.71 117.98 126.71 1jcy s PHE 2220Ca 0.02 -1.10 0.00 0.00 0.33 0.00 0.00 56.93 56.18 1jcy s PHE 2220Cb -0.09 -1.87 0.03 0.00 -1.31 0.00 0.00 43.02 39.78 1jcy s PHE 2220CO 0.02 -0.50 0.02 -1.64 1.83 0.00 0.00 175.22 174.96 1jcy s MET 2221N 0.80 0.02 -0.14 10.12 -1.94 0.07 -0.76 119.30 127.47 1jcy s MET 2221Ca -0.06 0.15 -0.20 0.00 -1.71 0.00 0.00 55.69 53.87 1jcy s MET 2221Cb -0.15 -0.27 -0.03 0.00 2.01 0.00 0.00 34.83 36.38 1jcy s MET 2221CO -0.00 -0.15 0.59 -1.21 -0.01 0.00 0.00 175.02 174.24 1jcy s GLU 2222N 0.97 4.30 0.01 2.03 2.02 -1.26 -2.91 118.70 123.87 1jcy s GLU 2222Ca -0.08 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.56 1jcy s GLU 2222Cb -0.12 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 1jcy s GLU 2222CO -0.03 -0.04 -0.13 -0.08 0.02 0.00 0.00 175.26 175.01 1jcy s THR 2223N 1.24 1.00 -0.09 3.63 -1.32 -0.14 0.20 115.64 120.15 1jcy s THR 2223Ca 0.30 -0.73 -0.08 0.00 -1.21 0.00 0.00 61.69 59.96 1jcy s THR 2223Cb -0.16 -0.87 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1jcy s THR 2223CO 0.12 0.14 0.24 -2.28 -2.21 0.00 0.00 174.62 170.63 1jcy s HIS 2224N -0.55 -0.28 0.32 9.09 5.04 -0.44 -2.57 115.29 125.89 1jcy s HIS 2224Ca 0.03 0.67 0.08 0.00 -1.54 0.00 0.00 55.06 54.30 1jcy s HIS 2224Cb -0.06 0.09 0.83 0.00 0.04 0.00 0.00 32.58 33.47 1jcy s HIS 2224CO 0.00 -0.14 1.76 -1.35 -2.34 0.00 0.00 174.74 172.66 1jcy h PRO 2225N 5.96 0.64 -2.24 2.88 0.11 -1.94 -2.52 132.00 134.89 1jcy h PRO 2225Ca -0.28 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.22 1jcy h PRO 2225Cb 1.19 -0.14 -0.38 0.00 0.11 0.00 0.00 31.00 31.78 1jcy h PRO 2225CO 0.36 0.43 -1.00 0.39 -0.21 0.00 0.00 178.00 177.96 1jcy n GLU 2226N -4.81 0.32 -0.38 1.05 1.02 -1.26 -4.50 120.64 112.08 1jcy n GLU 2226Ca 0.25 -3.16 0.31 0.00 -0.02 0.00 0.00 57.16 54.54 1jcy n GLU 2226Cb 0.67 -1.55 0.57 0.00 -0.02 0.00 0.00 31.44 31.10 1jcy n GLU 2226CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1jcy h PRO 2227N 5.22 0.18 -0.26 3.49 0.11 -1.85 0.25 132.00 139.14 1jcy h PRO 2227Ca 0.22 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.39 1jcy h PRO 2227Cb 0.91 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1jcy h PRO 2227CO 0.39 0.12 0.22 1.05 -0.21 0.00 0.00 178.00 179.57 1jcy h GLU 2228N 0.18 0.00 -0.03 1.05 4.11 -1.93 -0.93 114.58 117.03 1jcy h GLU 2228Ca 0.77 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.20 1jcy h GLU 2228Cb 2.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1jcy h GLU 2228CO -0.51 0.00 -0.07 1.63 0.07 0.00 0.00 179.01 180.13 1jcy n LYS 2229N -4.11 1.97 -1.73 1.06 5.02 0.88 -4.99 118.16 116.26 1jcy n LYS 2229Ca 0.03 -1.69 -0.39 0.00 -2.02 0.00 0.00 58.31 54.25 1jcy n LYS 2229Cb 0.37 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1jcy n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jcy n ALA 2230N 1.05 1.50 1.51 7.82 0.00 -0.35 -4.90 120.51 127.14 1jcy n ALA 2230Ca 0.12 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.84 1jcy n ALA 2230Cb 0.54 -2.34 0.55 0.00 0.00 0.00 0.00 19.45 18.20 1jcy n ALA 2230CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jcy n LEU 2231N -0.87 1.25 -3.71 0.00 4.77 -1.26 -4.60 117.00 112.59 1jcy n LEU 2231Ca 0.10 -0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 55.54 1jcy n LEU 2231Cb 0.44 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1jcy n LEU 2231CO 0.54 0.21 0.13 -0.55 -1.33 0.00 0.00 177.39 176.39 1jcy s SER 2232N -2.09 -0.37 -1.41 -1.43 0.15 -1.26 -4.54 113.70 102.74 1jcy s SER 2232Ca 0.37 0.50 -0.14 0.00 0.70 0.00 0.00 55.95 57.38 1jcy s SER 2232Cb 0.21 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 65.12 1jcy s SER 2232CO 0.37 -0.36 0.28 0.47 1.20 0.00 0.00 173.24 175.20 1jcy n ASP 2233N 1.81 -1.09 0.16 5.45 8.00 -1.26 -4.84 116.55 124.78 1jcy n ASP 2233Ca -0.18 -1.29 0.01 0.00 0.71 0.00 0.00 54.79 54.05 1jcy n ASP 2233Cb 0.56 -1.64 0.25 0.00 -0.02 0.00 0.00 41.12 40.28 1jcy n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jcy h ALA 2234N 1.14 1.06 0.00 2.24 0.00 -1.81 -1.89 119.26 120.00 1jcy h ALA 2234Ca -0.68 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1jcy h ALA 2234Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jcy h ALA 2234CO 0.63 0.64 -0.01 0.77 0.00 0.00 0.00 179.25 181.28 1jcy h SER 2235N 0.00 0.00 0.00 0.00 0.02 -1.88 -3.38 113.55 108.31 1jcy h SER 2235Ca -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jcy h SER 2235Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1jcy h SER 2235CO 0.07 0.00 -0.36 0.35 -1.14 0.00 0.00 176.83 175.75 1jcy n THR 2236N -2.73 0.00 -1.99 -2.27 -2.24 -1.18 -4.08 114.28 99.79 1jcy n THR 2236Ca 0.05 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1jcy n THR 2236Cb 0.49 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1jcy n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jcy s GLN 2237N -1.38 4.25 0.09 -0.78 -0.21 -0.72 -4.88 119.66 116.03 1jcy s GLN 2237Ca 0.00 2.31 -0.30 0.00 0.02 0.00 0.00 55.36 57.39 1jcy s GLN 2237Cb 0.00 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.83 1jcy s GLN 2237CO 0.02 -0.49 1.10 -1.17 -2.12 0.00 0.00 175.29 172.63 1jcy s LEU 2238N 0.24 4.42 0.19 2.90 2.96 0.13 -4.74 118.68 124.78 1jcy s LEU 2238Ca 0.63 1.94 -0.32 0.00 -0.22 0.00 0.00 54.13 56.16 1jcy s LEU 2238Cb -0.42 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.57 1jcy s LEU 2238CO 0.38 -0.31 1.72 -2.84 -1.32 0.00 0.00 176.35 173.99 1jcy s PRO 2239N 0.52 4.14 0.29 0.98 0.02 -1.26 -1.33 135.00 138.35 1jcy s PRO 2239Ca 0.53 2.58 0.01 0.00 0.02 0.00 0.00 61.00 64.15 1jcy s PRO 2239Cb -0.27 -3.15 0.70 0.00 0.02 0.00 0.00 34.50 31.80 1jcy s PRO 2239CO 0.31 -0.75 1.63 -0.07 -0.33 0.00 0.00 177.00 177.79 1jcy h LEU 2240N 7.03 -0.12 -1.71 -5.54 3.38 -1.68 -0.05 115.31 116.62 1jcy h LEU 2240Ca -0.43 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1jcy h LEU 2240Cb 1.20 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1jcy h LEU 2240CO 0.95 -0.20 0.00 0.77 0.09 0.00 0.00 178.44 180.05 1jcy h SER 2241N 0.15 0.00 0.12 -0.43 4.64 -1.89 -2.04 113.55 114.10 1jcy h SER 2241Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1jcy h SER 2241Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1jcy h SER 2241CO -0.71 0.00 -0.64 0.00 -0.87 0.00 0.00 176.83 174.62 1jcy n GLN 2242N -2.44 0.49 -0.16 4.77 6.02 -0.03 -4.48 117.38 121.55 1jcy n GLN 2242Ca -0.02 -0.38 -0.08 0.00 -0.01 0.00 0.00 57.00 56.52 1jcy n GLN 2242Cb 0.06 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.83 1jcy n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jcy h LEU 2243N 0.92 0.58 -0.33 1.08 5.85 -1.42 -2.71 115.31 119.27 1jcy h LEU 2243Ca 0.00 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jcy h LEU 2243Cb 0.58 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1jcy h LEU 2243CO 0.00 0.49 0.21 -0.08 -0.34 0.00 0.00 178.44 178.72 1jcy h GLU 2244N 0.62 0.41 -0.78 1.25 4.81 -1.78 -1.21 114.58 117.88 1jcy h GLU 2244Ca 0.17 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1jcy h GLU 2244Cb 0.04 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1jcy h GLU 2244CO -0.03 0.27 0.51 0.78 -0.73 0.00 0.00 179.01 179.81 1jcy h GLY 2245N 0.42 1.12 1.21 1.92 0.00 -1.82 -1.12 103.07 104.80 1jcy h GLY 2245Ca 0.13 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 1jcy h GLY 2245CO -0.04 0.36 -0.29 -2.22 0.00 0.00 0.00 176.54 174.35 1jcy h ILE 2246N 1.02 1.27 -0.25 2.60 2.04 -1.23 -1.44 117.51 121.52 1jcy h ILE 2246Ca 0.30 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 1jcy h ILE 2246Cb -0.06 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1jcy h ILE 2246CO -0.09 0.49 0.06 0.40 0.00 0.00 0.00 178.15 179.01 1jcy h ILE 2247N 0.75 1.21 -0.88 -0.67 2.04 -0.88 -0.89 117.51 118.20 1jcy h ILE 2247Ca 0.09 -0.71 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1jcy h ILE 2247Cb 0.85 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1jcy h ILE 2247CO 0.07 0.23 0.57 -0.08 0.00 0.00 0.00 178.15 178.94 1jcy h GLU 2248N 0.23 1.06 -0.02 2.37 4.57 -1.15 -1.18 114.58 120.45 1jcy h GLU 2248Ca 0.08 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1jcy h GLU 2248Cb 0.29 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1jcy h GLU 2248CO 0.00 0.70 0.01 0.00 -1.18 0.00 0.00 179.01 178.54 1jcy h ALA 2249N 1.37 0.03 0.00 2.92 0.00 -0.91 -1.95 119.26 120.72 1jcy h ALA 2249Ca 0.36 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1jcy h ALA 2249Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1jcy h ALA 2249CO -0.13 -0.45 -0.31 -0.84 0.00 0.00 0.00 179.25 177.53 1jcy h ILE 2250N -0.03 0.93 -0.32 0.00 3.07 -0.84 -1.41 117.51 118.91 1jcy h ILE 2250Ca 0.01 -1.19 -0.09 0.00 1.55 0.00 0.00 64.86 65.13 1jcy h ILE 2250Cb 0.05 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.30 1jcy h ILE 2250CO -0.00 0.30 -0.16 -0.07 -1.05 0.00 0.00 178.15 177.17 1jcy h LEU 2251N 0.00 0.70 -0.34 0.16 3.38 -0.96 0.69 115.31 118.94 1jcy h LEU 2251Ca -0.00 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1jcy h LEU 2251Cb 0.68 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1jcy h LEU 2251CO 0.04 0.96 0.08 -0.33 0.09 0.00 0.00 178.44 179.27 1jcy h GLU 2252N 0.44 0.56 -0.44 1.13 5.08 -1.11 0.03 114.58 120.27 1jcy h GLU 2252Ca 0.07 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1jcy h GLU 2252Cb 0.70 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1jcy h GLU 2252CO 0.05 0.62 0.17 0.82 -1.00 0.00 0.00 179.01 179.67 1jcy h ILE 2253N 0.40 1.20 -0.37 3.13 2.04 -1.19 -2.71 117.51 120.02 1jcy h ILE 2253Ca 0.11 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1jcy h ILE 2253Cb 0.31 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1jcy h ILE 2253CO 0.00 0.23 0.19 -0.09 0.00 0.00 0.00 178.15 178.48 1jcy h ARG 2254N 0.56 0.38 -0.61 2.37 2.43 -0.73 0.24 114.38 119.03 1jcy h ARG 2254Ca 0.15 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 1jcy h ARG 2254Cb 0.20 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 1jcy h ARG 2254CO -0.01 0.25 0.14 1.49 -1.51 0.00 0.00 179.97 180.33 1jcy h GLU 2255N 0.39 0.26 -0.01 0.20 4.22 -0.71 0.35 114.58 119.28 1jcy h GLU 2255Ca 0.15 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.45 1jcy h GLU 2255Cb 0.05 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jcy h GLU 2255CO -0.10 0.17 -0.51 0.28 -2.18 0.00 0.00 179.01 176.68 1jcy h VAL 2256N 0.27 1.45 -0.07 0.32 2.07 -1.23 -3.36 116.25 115.70 1jcy h VAL 2256Ca 0.32 -2.02 -0.15 0.00 0.82 0.00 0.00 66.70 65.67 1jcy h VAL 2256Cb 0.48 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1jcy h VAL 2256CO -0.40 0.58 -0.60 0.00 0.02 0.00 0.00 177.57 177.17 1jcy h ALA 2257N 0.32 0.85 -1.06 1.67 0.00 -0.65 -3.26 119.26 117.12 1jcy h ALA 2257Ca -0.06 -0.54 0.29 0.00 0.00 0.00 0.00 54.91 54.60 1jcy h ALA 2257Cb 1.22 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1jcy h ALA 2257CO 0.10 0.73 0.74 0.66 0.00 0.00 0.00 179.25 181.47 1jcy h SER 2258N 0.18 0.16 -0.59 0.00 4.64 -0.44 0.44 113.55 117.94 1jcy h SER 2258Ca -0.01 0.03 0.17 0.00 -0.47 0.00 0.00 61.79 61.51 1jcy h SER 2258Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1jcy h SER 2258CO 0.09 0.03 0.43 0.50 -0.87 0.00 0.00 176.83 177.02 1jcy h LYS 2259N 0.14 0.00 -0.15 4.77 3.64 -1.77 -2.16 116.57 121.04 1jcy h LYS 2259Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1jcy h LYS 2259Cb 1.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.67 1jcy h LYS 2259CO -0.10 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.74 1jcy n TYR 2260N -4.33 0.18 -1.74 1.91 4.02 0.15 -4.97 117.16 112.38 1jcy n TYR 2260Ca 0.11 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1jcy n TYR 2260Cb 0.67 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.96 1jcy n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jcy s TYR 2261N -1.47 2.86 0.45 -0.72 2.02 -0.81 -4.94 117.35 114.74 1jcy s TYR 2261Ca 0.26 0.47 -0.23 0.00 -0.37 0.00 0.00 57.07 57.21 1jcy s TYR 2261Cb 0.17 -4.12 -0.08 0.00 -0.40 0.00 0.00 41.96 37.53 1jcy s TYR 2261CO 0.25 -4.10 1.11 -1.21 -1.57 0.00 0.00 175.55 170.03 1jcy s GLU 2262N 0.67 3.85 0.05 -0.62 8.01 -1.26 -4.98 118.70 124.42 1jcy s GLU 2262Ca 0.71 1.63 -0.31 0.00 0.01 0.00 0.00 54.97 57.02 1jcy s GLU 2262Cb -0.49 -2.38 -0.06 0.00 -4.31 0.00 0.00 34.13 26.89 1jcy s GLU 2262CO 0.37 -0.44 1.38 0.99 0.01 0.00 0.00 175.26 177.57 1jcy s THR 2263N -1.65 3.59 0.00 3.63 2.01 -1.26 -5.15 115.64 116.81 1jcy s THR 2263Ca 0.63 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.69 1jcy s THR 2263Cb -0.25 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.58 1jcy s THR 2263CO 0.30 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.26