#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lrq s PHE 2004N 0.00 2.77 -0.13 5.58 2.19 -1.26 -4.72 117.98 122.41 1lrq s PHE 2004Ca 0.00 0.70 -0.07 0.00 0.33 0.00 0.00 56.93 57.88 1lrq s PHE 2004Cb 0.00 -4.09 -0.04 0.00 -1.31 0.00 0.00 43.02 37.58 1lrq s PHE 2004CO 0.00 -3.75 0.14 -1.17 1.83 0.00 0.00 175.22 172.26 1lrq s LEU 2005N -0.22 4.35 -0.25 6.12 2.96 -0.73 -1.36 118.68 129.55 1lrq s LEU 2005Ca 0.65 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1lrq s LEU 2005Cb -0.48 -2.07 0.07 0.00 0.50 0.00 0.00 46.19 44.21 1lrq s LEU 2005CO 0.45 0.38 0.02 -0.69 -1.32 0.00 0.00 176.35 175.20 1lrq s VAL 2006N -0.87 1.11 -0.28 1.68 1.01 -0.47 -1.04 120.40 121.55 1lrq s VAL 2006Ca 0.14 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1lrq s VAL 2006Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1lrq s VAL 2006CO 0.03 -0.32 0.22 -0.63 0.00 0.00 0.00 175.10 174.40 1lrq s ILE 2007N 1.56 5.29 0.03 2.22 1.01 -0.19 -1.35 121.20 129.77 1lrq s ILE 2007Ca 0.01 0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.75 1lrq s ILE 2007Cb -0.18 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1lrq s ILE 2007CO -0.12 0.24 0.33 0.00 0.00 0.00 0.00 174.94 175.38 1lrq s ALA 2008N 1.79 -0.76 0.00 9.38 0.00 -0.46 -0.59 121.76 131.12 1lrq s ALA 2008Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1lrq s ALA 2008Cb -0.16 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1lrq s ALA 2008CO 0.11 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1lrq n GLY 2009N 0.71 1.19 3.77 0.00 0.00 -1.11 -1.27 105.19 108.48 1lrq n GLY 2009Ca -0.19 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1lrq n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lrq s PRO 2010N -2.00 3.82 0.14 1.61 0.04 -1.06 -0.99 135.00 136.56 1lrq s PRO 2010Ca 0.00 1.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 1lrq s PRO 2010Cb 0.00 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1lrq s PRO 2010CO 0.00 -0.53 1.61 0.00 0.04 0.00 0.00 177.00 178.12 1lrq s ALA 2012N -6.00 2.28 -1.10 0.00 0.00 -1.26 -1.21 121.76 114.47 1lrq s ALA 2012Ca -0.15 -1.53 -0.20 0.00 0.00 0.00 0.00 51.96 50.08 1lrq s ALA 2012Cb 0.11 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.02 1lrq s ALA 2012CO 0.66 0.38 1.49 0.42 0.00 0.00 0.00 175.76 178.72 1lrq s ILE 2013N -1.63 4.15 -0.18 0.00 1.01 -0.32 -4.75 121.20 119.47 1lrq s ILE 2013Ca 0.17 -1.31 0.29 0.00 0.00 0.00 0.00 60.65 59.80 1lrq s ILE 2013Cb -0.08 -5.06 0.34 0.00 0.01 0.00 0.00 42.46 37.68 1lrq s ILE 2013CO 0.08 -1.89 1.85 -0.33 0.00 0.00 0.00 174.94 174.64 1lrq h GLU 2014N 8.89 0.00 0.00 2.79 5.08 -1.97 -3.41 114.58 125.96 1lrq h GLU 2014Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1lrq h GLU 2014Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1lrq h GLU 2014CO 1.39 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 178.27 1lrq n SER 2015N -2.82 0.00 0.00 1.42 3.41 -1.26 -4.98 113.62 109.39 1lrq n SER 2015Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.72 1lrq n SER 2015Cb 0.33 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.69 1lrq n SER 2015CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1lrq n GLU 2016N -0.34 0.07 0.00 4.33 0.28 -1.26 -2.33 120.64 121.39 1lrq n GLU 2016Ca 0.00 0.16 -0.13 0.00 -0.16 0.00 0.00 57.16 57.04 1lrq n GLU 2016Cb 0.00 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.27 1lrq n GLU 2016CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1lrq h GLU 2017N 0.00 -0.04 -0.43 3.44 4.81 -1.98 -1.59 114.58 118.78 1lrq h GLU 2017Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1lrq h GLU 2017Cb 0.28 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1lrq h GLU 2017CO 0.00 0.44 0.27 1.25 -0.73 0.00 0.00 179.01 180.24 1lrq h LEU 2018N -0.54 0.46 -1.14 1.64 5.85 -1.84 -1.55 115.31 118.18 1lrq h LEU 2018Ca -0.00 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1lrq h LEU 2018Cb 0.50 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1lrq h LEU 2018CO 0.01 0.33 0.59 -0.07 -0.34 0.00 0.00 178.44 178.96 1lrq h LEU 2019N 0.55 0.90 -0.37 2.25 3.38 -1.45 -0.48 115.31 120.09 1lrq h LEU 2019Ca 0.17 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 1lrq h LEU 2019Cb -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1lrq h LEU 2019CO -0.06 0.57 -0.47 -0.07 0.09 0.00 0.00 178.44 178.50 1lrq h LEU 2020N 1.02 0.95 -0.85 1.67 3.38 -0.73 0.33 115.31 121.07 1lrq h LEU 2020Ca 0.40 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1lrq h LEU 2020Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1lrq h LEU 2020CO -0.16 1.26 -0.10 0.50 0.09 0.00 0.00 178.44 180.04 1lrq h LYS 2021N 0.69 0.75 0.13 1.13 3.64 -0.56 -0.64 116.57 121.71 1lrq h LYS 2021Ca 0.04 -0.24 -0.30 0.00 -1.27 0.00 0.00 60.65 58.87 1lrq h LYS 2021Cb 1.07 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1lrq h LYS 2021CO 0.11 0.83 -1.27 0.28 -2.27 0.00 0.00 179.45 177.13 1lrq h VAL 2022N 0.69 1.28 -0.36 2.00 2.07 -1.04 -3.23 116.25 117.66 1lrq h VAL 2022Ca 0.12 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1lrq h VAL 2022Cb 0.56 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1lrq h VAL 2022CO 0.03 0.75 0.22 1.23 0.02 0.00 0.00 177.57 179.83 1lrq h GLY 2023N 0.27 0.50 0.99 2.17 0.00 -0.16 -0.76 103.07 106.08 1lrq h GLY 2023Ca -0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1lrq h GLY 2023CO 0.24 0.19 0.28 -2.09 0.00 0.00 0.00 176.54 175.16 1lrq h GLU 2024N 0.48 0.84 -0.33 4.80 4.81 -1.14 0.70 114.58 124.74 1lrq h GLU 2024Ca 0.13 -0.12 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1lrq h GLU 2024Cb -0.04 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1lrq h GLU 2024CO -0.03 0.68 -0.47 1.49 -0.73 0.00 0.00 179.01 179.96 1lrq h GLU 2025N 0.79 0.90 -0.46 1.92 4.57 -1.39 -2.00 114.58 118.91 1lrq h GLU 2025Ca 0.20 -0.52 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 1lrq h GLU 2025Cb 0.12 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1lrq h GLU 2025CO -0.02 1.17 0.09 0.82 -1.18 0.00 0.00 179.01 179.88 1lrq h ILE 2026N 0.71 1.21 -0.38 2.32 1.08 -0.89 -1.46 117.51 120.10 1lrq h ILE 2026Ca 0.04 -0.76 -0.08 0.00 -0.39 0.00 0.00 64.86 63.67 1lrq h ILE 2026Cb 1.07 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1lrq h ILE 2026CO 0.11 0.28 -0.06 0.50 -0.69 0.00 0.00 178.15 178.29 1lrq h LYS 2027N 0.67 0.71 -0.46 2.37 1.63 -0.70 -0.55 116.57 120.24 1lrq h LYS 2027Ca 0.15 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1lrq h LYS 2027Cb 0.28 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1lrq h LYS 2027CO 0.00 0.84 0.30 -0.09 -3.45 0.00 0.00 179.45 177.05 1lrq h ARG 2028N 0.52 0.60 -0.40 1.90 2.43 -0.85 -1.31 114.38 117.27 1lrq h ARG 2028Ca 0.10 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1lrq h ARG 2028Cb 0.56 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1lrq h ARG 2028CO 0.03 0.39 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.73 1lrq h LEU 2029N 0.61 0.67 -1.26 3.80 -0.00 -1.20 -1.71 115.31 116.22 1lrq h LEU 2029Ca 0.17 -0.18 0.03 0.00 -0.00 0.00 0.00 57.88 57.90 1lrq h LEU 2029Cb -0.07 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.37 1lrq h LEU 2029CO -0.04 0.79 0.51 -1.28 -0.00 0.00 0.00 178.44 178.43 1lrq h SER 2030N 0.63 0.83 0.89 -0.43 0.87 -0.33 0.31 113.55 116.31 1lrq h SER 2030Ca 0.11 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 1lrq h SER 2030Cb 0.52 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1lrq h SER 2030CO 0.03 0.57 -0.88 -0.33 -0.53 0.00 0.00 176.83 175.69 1lrq h GLU 2031N 0.96 0.00 0.11 2.24 4.39 -0.79 -3.30 114.58 118.18 1lrq h GLU 2031Ca 0.31 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.73 1lrq h GLU 2031Cb 0.04 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1lrq h GLU 2031CO -0.09 0.88 -1.20 -0.22 -1.16 0.00 0.00 179.01 177.23 1lrq h LYS 2032N 0.00 0.44 -2.91 2.33 3.64 -0.40 -3.38 116.57 116.29 1lrq h LYS 2032Ca -0.01 -0.62 -0.69 0.00 -1.27 0.00 0.00 60.65 58.06 1lrq h LYS 2032Cb 1.56 0.21 -0.36 0.00 -0.41 0.00 0.00 32.23 33.23 1lrq h LYS 2032CO 0.11 1.26 -0.10 1.19 -2.27 0.00 0.00 179.45 179.65 1lrq n PHE 2033N -3.68 3.62 0.31 1.91 3.01 0.99 -4.88 117.46 118.74 1lrq n PHE 2033Ca -0.10 -3.86 0.20 0.00 1.01 0.00 0.00 57.45 54.70 1lrq n PHE 2033Cb 0.97 -0.96 1.00 0.00 -0.01 0.00 0.00 39.48 40.48 1lrq n PHE 2033CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1lrq h LYS 2034N 5.32 0.00 0.00 -1.08 1.79 -1.75 -1.46 116.57 119.40 1lrq h LYS 2034Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1lrq h LYS 2034Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1lrq h LYS 2034CO 0.94 0.00 0.00 1.49 -1.08 0.00 0.00 179.45 180.80 1lrq h GLU 2035N 0.00 0.00 -5.86 3.15 4.57 -1.90 -3.44 114.58 111.10 1lrq h GLU 2035Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 1lrq h GLU 2035Cb 0.15 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 1lrq h GLU 2035CO 0.00 0.00 -0.52 0.08 -1.18 0.00 0.00 179.01 177.39 1lrq s VAL 2036N -3.44 5.20 -0.34 0.32 1.01 -0.55 -4.08 120.40 118.51 1lrq s VAL 2036Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1lrq s VAL 2036Cb 0.07 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1lrq s VAL 2036CO 0.61 0.37 0.21 -0.70 0.00 0.00 0.00 175.10 175.58 1lrq s GLU 2037N -1.77 3.23 0.03 2.72 2.12 -0.47 -4.97 118.70 119.59 1lrq s GLU 2037Ca 0.24 -0.81 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 1lrq s GLU 2037Cb -0.12 -3.71 -0.06 0.00 0.26 0.00 0.00 34.13 30.49 1lrq s GLU 2037CO 0.15 -0.52 0.41 -0.06 -0.54 0.00 0.00 175.26 174.70 1lrq s PHE 2038N 1.64 3.68 -0.09 5.30 0.40 -1.26 -1.36 117.98 126.29 1lrq s PHE 2038Ca 0.04 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1lrq s PHE 2038Cb -0.18 -2.25 0.02 0.00 0.51 0.00 0.00 43.02 41.12 1lrq s PHE 2038CO 0.08 0.60 -0.07 0.08 0.70 0.00 0.00 175.22 176.62 1lrq s VAL 2039N -1.18 0.86 0.02 -0.44 1.01 -0.46 -4.15 120.40 116.06 1lrq s VAL 2039Ca 0.27 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1lrq s VAL 2039Cb -0.16 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1lrq s VAL 2039CO 0.15 0.32 0.97 0.12 0.00 0.00 0.00 175.10 176.66 1lrq s PHE 2040N 1.43 3.68 0.05 5.22 5.36 -0.35 -1.36 117.98 132.00 1lrq s PHE 2040Ca -0.01 1.71 0.07 0.00 -0.96 0.00 0.00 56.93 57.73 1lrq s PHE 2040Cb -0.13 -3.11 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1lrq s PHE 2040CO -0.04 0.02 -0.19 0.21 -1.46 0.00 0.00 175.22 173.76 1lrq s LYS 2041N 0.86 1.26 -0.24 10.12 2.36 -0.39 -0.84 119.74 132.87 1lrq s LYS 2041Ca 0.51 -0.91 -0.28 0.00 -2.55 0.00 0.00 55.97 52.74 1lrq s LYS 2041Cb -0.21 -1.37 0.15 0.00 -1.05 0.00 0.00 37.83 35.36 1lrq s LYS 2041CO 0.28 0.34 1.18 0.45 1.55 0.00 0.00 175.35 179.15 1lrq s SER 2042N -1.22 -0.24 -0.14 1.43 0.15 -1.15 -3.10 113.70 109.43 1lrq s SER 2042Ca 0.06 0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.95 1lrq s SER 2042Cb -0.09 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 1lrq s SER 2042CO 0.02 -0.17 0.23 -0.44 1.20 0.00 0.00 173.24 174.08 1lrq s SER 2043N -0.62 6.42 0.08 5.45 0.01 -0.35 -4.46 113.70 120.23 1lrq s SER 2043Ca 0.04 0.49 0.27 0.00 1.31 0.00 0.00 55.95 58.05 1lrq s SER 2043Cb -0.02 -2.14 0.93 0.00 0.21 0.00 0.00 66.02 64.99 1lrq s SER 2043CO -0.05 0.22 1.76 2.22 0.41 0.00 0.00 173.24 177.80 1lrq n PHE 2044N 2.95 0.37 -3.64 2.43 1.16 -1.26 -1.18 117.46 118.29 1lrq n PHE 2044Ca -0.15 0.11 -0.08 0.00 -1.87 0.00 0.00 57.45 55.46 1lrq n PHE 2044Cb 0.53 -0.64 -0.07 0.00 -1.61 0.00 0.00 39.48 37.69 1lrq n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1lrq s ASP 2045N -3.63 -0.91 -0.91 5.98 2.15 -1.26 -3.74 116.67 114.35 1lrq s ASP 2045Ca 0.12 1.49 -0.14 0.00 0.43 0.00 0.00 52.55 54.45 1lrq s ASP 2045Cb 0.16 1.38 0.21 0.00 -0.30 0.00 0.00 42.92 44.37 1lrq s ASP 2045CO 0.59 -0.24 0.91 -0.54 -0.17 0.00 0.00 175.17 175.72 1lrq s LYS 2046N 1.48 3.72 0.00 4.34 -0.14 0.48 -4.87 119.74 124.75 1lrq s LYS 2046Ca -0.09 -2.47 0.29 0.00 -1.36 0.00 0.00 55.97 52.34 1lrq s LYS 2046Cb -0.05 -4.56 1.56 0.00 -1.68 0.00 0.00 37.83 33.10 1lrq s LYS 2046CO -0.17 -1.39 2.04 0.00 -0.76 0.00 0.00 175.35 175.07 1lrq n ALA 2047N 4.27 2.48 -1.97 5.17 0.00 -1.26 -3.92 120.51 125.29 1lrq n ALA 2047Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1lrq n ALA 2047Cb 0.46 -1.48 0.13 0.00 0.00 0.00 0.00 19.45 18.56 1lrq n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1lrq n ASN 2048N -1.20 1.77 -4.74 0.00 2.04 -1.26 -5.08 115.26 106.78 1lrq n ASN 2048Ca 0.16 -3.22 -0.37 0.00 -0.44 0.00 0.00 54.58 50.71 1lrq n ASN 2048Cb 0.19 -0.44 0.05 0.00 -2.53 0.00 0.00 39.78 37.06 1lrq n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1lrq s ARG 2049N -2.31 2.77 0.14 -3.83 1.81 -1.25 -4.92 118.95 111.36 1lrq s ARG 2049Ca 0.37 1.99 -0.13 0.00 -1.72 0.00 0.00 55.73 56.24 1lrq s ARG 2049Cb 0.38 -1.92 0.01 0.00 -0.45 0.00 0.00 34.95 32.97 1lrq s ARG 2049CO -0.09 -1.41 1.60 0.77 -0.68 0.00 0.00 175.30 175.49 1lrq h SER 2050N 0.77 0.80 -2.72 0.23 0.02 -1.98 -3.44 113.55 107.24 1lrq h SER 2050Ca -0.51 -0.30 -0.66 0.00 -0.84 0.00 0.00 61.79 59.48 1lrq h SER 2050Cb 1.32 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.57 1lrq h SER 2050CO 0.54 0.91 -0.49 -0.55 -1.14 0.00 0.00 176.83 176.10 1lrq s SER 2051N -6.30 6.32 0.55 3.07 0.15 -1.26 -4.98 113.70 111.24 1lrq s SER 2051Ca -0.13 0.42 0.33 0.00 0.70 0.00 0.00 55.95 57.27 1lrq s SER 2051Cb 0.11 -2.02 1.49 0.00 -1.71 0.00 0.00 66.02 63.89 1lrq s SER 2051CO 0.81 0.37 2.04 -0.29 1.20 0.00 0.00 173.24 177.38 1lrq h ILE 2052N 3.71 0.22 -0.24 6.45 6.09 -2.03 -2.75 117.51 128.96 1lrq h ILE 2052Ca -0.53 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.42 1lrq h ILE 2052Cb 1.22 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.94 1lrq h ILE 2052CO 0.60 0.06 0.00 1.41 -3.07 0.00 0.00 178.15 177.16 1lrq n HIS 2053N -3.26 0.30 -2.37 2.19 8.25 -1.26 -4.95 115.22 114.13 1lrq n HIS 2053Ca -0.01 -0.15 -0.27 0.00 -0.26 0.00 0.00 57.72 57.03 1lrq n HIS 2053Cb 0.27 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.41 1lrq n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1lrq s SER 2054N -1.47 5.61 0.06 0.41 0.01 -1.04 -5.03 113.70 112.26 1lrq s SER 2054Ca 0.32 0.75 -0.31 0.00 1.31 0.00 0.00 55.95 58.02 1lrq s SER 2054Cb 0.18 -1.74 -0.07 0.00 0.21 0.00 0.00 66.02 64.60 1lrq s SER 2054CO 0.26 -1.06 1.43 0.12 0.41 0.00 0.00 173.24 174.39 1lrq s PHE 2055N -3.01 2.99 -0.19 2.43 5.36 -1.26 -4.93 117.98 119.38 1lrq s PHE 2055Ca 0.54 0.82 -0.06 0.00 -0.96 0.00 0.00 56.93 57.28 1lrq s PHE 2055Cb -0.11 -3.71 -0.10 0.00 -0.34 0.00 0.00 43.02 38.77 1lrq s PHE 2055CO 0.46 -2.59 -0.22 0.54 -1.46 0.00 0.00 175.22 171.95 1lrq n ARG 2056N 4.70 0.43 -1.63 10.12 1.74 -1.26 -4.68 116.66 126.08 1lrq n ARG 2056Ca 0.13 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1lrq n ARG 2056Cb 0.43 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1lrq n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lrq n GLY 2057N 2.10 0.06 0.95 -0.13 0.00 -1.26 -0.39 105.19 106.53 1lrq n GLY 2057Ca -0.36 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.11 1lrq n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1lrq n HIS 2058N 9.00 0.85 0.00 1.61 8.25 -1.25 -5.04 115.22 128.63 1lrq n HIS 2058Ca 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 1lrq n HIS 2058Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1lrq n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lrq n GLY 2059N 0.42 1.71 0.11 -1.41 0.00 -1.25 -4.43 105.19 100.35 1lrq n GLY 2059Ca 0.18 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1lrq n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1lrq h LEU 2060N 0.00 -0.16 -0.20 0.99 5.85 -1.99 -1.99 115.31 117.82 1lrq h LEU 2060Ca 0.00 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1lrq h LEU 2060Cb 0.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1lrq h LEU 2060CO 0.00 -0.03 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.67 1lrq h GLU 2061N -0.28 -0.05 -0.76 1.25 5.08 -1.97 0.99 114.58 118.85 1lrq h GLU 2061Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1lrq h GLU 2061Cb 0.22 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1lrq h GLU 2061CO 0.03 -0.03 0.39 -0.92 -1.00 0.00 0.00 179.01 177.49 1lrq h TYR 2062N -0.05 1.05 -0.13 4.33 3.20 -1.77 -1.83 116.97 121.78 1lrq h TYR 2062Ca 0.10 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1lrq h TYR 2062Cb 0.20 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 1lrq h TYR 2062CO -0.24 0.74 -0.02 0.78 -1.64 0.00 0.00 178.16 177.78 1lrq h GLY 2063N 1.11 0.26 1.13 1.82 0.00 -0.68 -1.96 103.07 104.76 1lrq h GLY 2063Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1lrq h GLY 2063CO -0.04 0.19 0.49 -2.08 0.00 0.00 0.00 176.54 175.11 1lrq h VAL 2064N -0.06 1.24 -0.02 4.60 2.07 -0.70 -0.62 116.25 122.76 1lrq h VAL 2064Ca 0.03 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1lrq h VAL 2064Cb 0.43 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1lrq h VAL 2064CO 0.01 0.25 0.01 0.50 0.02 0.00 0.00 177.57 178.37 1lrq h LYS 2065N 1.16 0.03 -0.30 1.57 3.64 -1.25 0.20 116.57 121.62 1lrq h LYS 2065Ca 0.30 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1lrq h LYS 2065Cb -0.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1lrq h LYS 2065CO -0.05 0.05 0.18 0.00 -2.27 0.00 0.00 179.45 177.36 1lrq h ALA 2066N 0.98 0.37 -0.44 5.00 0.00 -0.94 -0.96 119.26 123.27 1lrq h ALA 2066Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1lrq h ALA 2066Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1lrq h ALA 2066CO -0.00 -0.18 0.11 -0.07 0.00 0.00 0.00 179.25 179.11 1lrq h LEU 2067N 0.37 0.61 -0.85 0.00 3.38 -0.95 -1.82 115.31 116.06 1lrq h LEU 2067Ca 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1lrq h LEU 2067Cb -0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1lrq h LEU 2067CO -0.04 0.60 0.45 -0.09 0.09 0.00 0.00 178.44 179.45 1lrq h ARG 2068N 0.64 1.20 -0.39 1.13 2.43 0.14 -1.95 114.38 117.58 1lrq h ARG 2068Ca 0.15 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1lrq h ARG 2068Cb 0.24 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1lrq h ARG 2068CO -0.00 0.89 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.11 1lrq h LYS 2069N 1.19 0.64 -0.30 0.20 1.63 -0.38 -1.72 116.57 117.83 1lrq h LYS 2069Ca 0.30 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1lrq h LYS 2069Cb 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1lrq h LYS 2069CO -0.05 0.67 -0.02 0.28 -3.45 0.00 0.00 179.45 176.89 1lrq h VAL 2070N 0.60 1.26 -0.45 2.00 2.07 -0.80 0.55 116.25 121.50 1lrq h VAL 2070Ca 0.12 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 1lrq h VAL 2070Cb 0.41 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1lrq h VAL 2070CO 0.02 0.31 -0.06 0.50 0.02 0.00 0.00 177.57 178.36 1lrq h LYS 2071N 0.32 0.77 -0.05 1.57 3.64 -1.20 -0.70 116.57 120.93 1lrq h LYS 2071Ca 0.08 -0.23 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 1lrq h LYS 2071Cb 0.46 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1lrq h LYS 2071CO 0.02 0.82 -0.48 0.93 -2.27 0.00 0.00 179.45 178.48 1lrq h GLU 2072N 0.71 0.41 0.00 1.90 5.08 -1.23 0.18 114.58 121.63 1lrq h GLU 2072Ca 0.13 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 1lrq h GLU 2072Cb 0.53 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1lrq h GLU 2072CO 0.03 1.03 -0.59 1.49 -1.00 0.00 0.00 179.01 179.97 1lrq h GLU 2073N -0.08 0.00 0.00 2.33 4.81 -0.88 -3.36 114.58 117.39 1lrq h GLU 2073Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1lrq h GLU 2073Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1lrq h GLU 2073CO 0.10 0.59 0.00 1.19 -0.73 0.00 0.00 179.01 180.15 1lrq n PHE 2074N -3.49 0.00 -2.49 0.92 3.72 -0.27 -5.02 117.46 110.83 1lrq n PHE 2074Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1lrq n PHE 2074Cb 0.67 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.22 1lrq n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lrq n GLY 2075N 0.86 -0.25 3.89 1.37 0.00 0.65 -4.99 105.19 106.72 1lrq n GLY 2075Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1lrq n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lrq s LEU 2076N -4.69 4.36 0.78 0.99 1.43 -1.24 -5.04 118.68 115.27 1lrq s LEU 2076Ca 0.08 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1lrq s LEU 2076Cb -0.04 -2.77 0.06 0.00 0.03 0.00 0.00 46.19 43.47 1lrq s LEU 2076CO 0.10 0.22 1.09 -0.54 0.23 0.00 0.00 176.35 177.46 1lrq s LYS 2077N -1.98 2.20 0.09 1.70 1.02 -1.26 -4.37 119.74 117.13 1lrq s LYS 2077Ca 0.30 1.19 0.07 0.00 0.02 0.00 0.00 55.97 57.55 1lrq s LYS 2077Cb -0.13 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1lrq s LYS 2077CO 0.19 -1.69 -0.17 0.42 -0.92 0.00 0.00 175.35 173.18 1lrq s ILE 2078N -2.88 1.38 -0.11 2.17 -1.09 -1.26 -1.21 121.20 118.21 1lrq s ILE 2078Ca 0.62 -1.42 -0.09 0.00 -2.23 0.00 0.00 60.65 57.52 1lrq s ILE 2078Cb -0.18 -1.30 0.03 0.00 -1.58 0.00 0.00 42.46 39.44 1lrq s ILE 2078CO 0.56 -0.16 0.29 0.28 -1.23 0.00 0.00 174.94 174.68 1lrq s THR 2079N -1.24 -0.00 0.13 2.92 -1.32 -0.02 -0.02 115.64 116.08 1lrq s THR 2079Ca 0.02 0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.37 1lrq s THR 2079Cb -0.10 -0.41 0.03 0.00 -1.51 0.00 0.00 72.50 70.51 1lrq s THR 2079CO 0.03 0.01 0.38 0.28 -2.21 0.00 0.00 174.62 173.11 1lrq s THR 2080N 0.29 0.07 0.10 5.08 -1.32 -1.20 -2.94 115.64 115.72 1lrq s THR 2080Ca -0.01 -0.70 -0.01 0.00 -1.21 0.00 0.00 61.69 59.77 1lrq s THR 2080Cb -0.03 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1lrq s THR 2080CO -0.01 -0.34 0.27 1.51 -2.21 0.00 0.00 174.62 173.85 1lrq s ASP 2081N -2.82 6.39 0.23 8.08 -4.77 -1.26 -0.98 116.67 121.54 1lrq s ASP 2081Ca 0.04 0.34 0.09 0.00 -3.30 0.00 0.00 52.55 49.73 1lrq s ASP 2081Cb 0.02 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 39.82 1lrq s ASP 2081CO -0.11 0.11 -0.05 0.27 0.70 0.00 0.00 175.17 176.09 1lrq s ILE 2082N -1.61 3.32 0.00 2.11 -4.36 -0.83 -4.78 121.20 115.07 1lrq s ILE 2082Ca 0.37 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1lrq s ILE 2082Cb -0.12 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.87 1lrq s ILE 2082CO 0.27 -0.25 0.00 1.41 0.24 0.00 0.00 174.94 176.61 1lrq n HIS 2083N -0.45 0.00 -3.89 1.37 8.25 -1.26 -4.38 115.22 114.86 1lrq n HIS 2083Ca -0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 1lrq n HIS 2083Cb 0.57 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 1lrq n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1lrq s GLU 2084N -1.54 0.31 0.32 -0.41 2.02 -1.26 -5.07 118.70 113.07 1lrq s GLU 2084Ca 0.00 -0.29 0.10 0.00 0.02 0.00 0.00 54.97 54.80 1lrq s GLU 2084Cb 0.00 0.12 0.94 0.00 0.10 0.00 0.00 34.13 35.30 1lrq s GLU 2084CO 0.00 -0.06 1.66 0.77 0.02 0.00 0.00 175.26 177.65 1lrq h SER 2085N 4.95 0.34 0.21 -0.19 0.02 -1.91 -1.29 113.55 115.69 1lrq h SER 2085Ca -0.29 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1lrq h SER 2085Cb 1.20 0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 1lrq h SER 2085CO 0.42 -0.13 -0.02 4.11 -1.14 0.00 0.00 176.83 180.08 1lrq h TRP 2086N 0.30 0.00 0.00 3.45 5.08 -1.97 -2.56 115.95 120.25 1lrq h TRP 2086Ca 0.67 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.64 1lrq h TRP 2086Cb 1.45 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.61 1lrq h TRP 2086CO -0.10 0.02 0.00 1.96 -1.28 0.00 0.00 178.44 179.04 1lrq h GLN 2087N 0.00 0.00 -0.05 0.12 4.20 -1.66 -3.35 115.11 114.37 1lrq h GLN 2087Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1lrq h GLN 2087Cb 0.13 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1lrq h GLN 2087CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 1lrq h ALA 2088N 2.35 0.05 0.54 3.87 0.00 -1.61 -2.43 119.26 122.04 1lrq h ALA 2088Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1lrq h ALA 2088Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1lrq h ALA 2088CO 0.00 -0.48 -0.36 1.49 0.00 0.00 0.00 179.25 179.91 1lrq h GLU 2089N 0.02 -0.83 -0.28 0.00 4.81 -1.79 -0.60 114.58 115.92 1lrq h GLU 2089Ca 0.02 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1lrq h GLU 2089Cb 0.02 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1lrq h GLU 2089CO -0.04 -0.56 0.02 -1.00 -0.73 0.00 0.00 179.01 176.71 1lrq h PRO 2090N -0.87 0.41 -0.16 0.92 0.13 -1.77 -2.72 132.00 127.94 1lrq h PRO 2090Ca -0.06 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 1lrq h PRO 2090Cb 0.71 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1lrq h PRO 2090CO 0.05 0.43 -0.55 0.28 -0.23 0.00 0.00 178.00 177.97 1lrq h VAL 2091N 0.40 1.33 0.00 1.56 2.07 -1.32 -2.98 116.25 117.31 1lrq h VAL 2091Ca 0.09 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1lrq h VAL 2091Cb 0.24 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1lrq h VAL 2091CO 0.00 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1lrq h ALA 2092N 1.02 1.00 -0.38 1.67 0.00 -0.77 0.11 119.26 121.92 1lrq h ALA 2092Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1lrq h ALA 2092Cb 1.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1lrq h ALA 2092CO 0.10 0.00 0.25 0.93 0.00 0.00 0.00 179.25 180.53 1lrq h GLU 2093N 0.00 0.41 0.00 0.00 4.39 -1.56 -3.32 114.58 114.51 1lrq h GLU 2093Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1lrq h GLU 2093Cb 0.01 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1lrq h GLU 2093CO 0.00 0.27 -1.00 0.28 -1.16 0.00 0.00 179.01 177.40 1lrq n VAL 2094N -4.48 0.00 -2.18 3.13 0.31 -0.78 -5.03 118.33 109.31 1lrq n VAL 2094Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 1lrq n VAL 2094Cb 0.13 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.22 1lrq n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1lrq s ALA 2095N -2.00 3.51 0.16 3.52 0.00 -0.04 -4.47 121.76 122.44 1lrq s ALA 2095Ca 0.00 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1lrq s ALA 2095Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1lrq s ALA 2095CO 0.00 -1.52 1.36 -0.44 0.00 0.00 0.00 175.76 175.16 1lrq h ASP 2096N 9.51 0.10 -3.32 0.00 3.32 -0.75 -3.43 116.42 121.84 1lrq h ASP 2096Ca -0.33 -0.09 -0.49 0.00 0.02 0.00 0.00 57.03 56.14 1lrq h ASP 2096Cb 1.14 -0.03 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 1lrq h ASP 2096CO 0.98 0.96 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.03 1lrq s ILE 2097N -3.00 0.92 -0.22 0.35 1.01 -0.72 -2.51 121.20 117.03 1lrq s ILE 2097Ca -0.01 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 1lrq s ILE 2097Cb 0.10 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 1lrq s ILE 2097CO 0.82 0.33 0.39 -0.63 0.00 0.00 0.00 174.94 175.84 1lrq s ILE 2098N 1.22 5.20 -0.08 2.92 1.01 0.13 -3.25 121.20 128.34 1lrq s ILE 2098Ca -0.05 0.67 -0.15 0.00 0.00 0.00 0.00 60.65 61.12 1lrq s ILE 2098Cb -0.14 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1lrq s ILE 2098CO -0.02 0.23 0.37 -1.58 0.00 0.00 0.00 174.94 173.94 1lrq s GLN 2099N 1.48 4.07 -0.24 2.79 0.74 -0.15 -1.01 119.66 127.35 1lrq s GLN 2099Ca 0.18 0.28 -0.07 0.00 0.05 0.00 0.00 55.36 55.81 1lrq s GLN 2099Cb -0.15 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1lrq s GLN 2099CO 0.08 0.45 0.05 0.42 -0.55 0.00 0.00 175.29 175.74 1lrq s ILE 2100N -0.26 4.15 0.63 -2.34 -1.09 0.05 -1.96 121.20 120.39 1lrq s ILE 2100Ca 0.21 -0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 58.22 1lrq s ILE 2100Cb -0.15 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.79 1lrq s ILE 2100CO 0.09 0.37 1.25 -2.65 -1.23 0.00 0.00 174.94 172.77 1lrq n PRO 2101N 4.78 1.14 -0.15 2.79 -0.02 -1.26 -1.30 135.00 140.97 1lrq n PRO 2101Ca -0.17 0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 1lrq n PRO 2101Cb 0.51 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1lrq n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lrq h ALA 2102N 0.60 0.59 0.00 3.55 0.00 -1.90 -1.12 119.26 120.98 1lrq h ALA 2102Ca -0.51 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1lrq h ALA 2102Cb 1.34 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1lrq h ALA 2102CO 0.53 -0.21 -0.05 0.74 0.00 0.00 0.00 179.25 180.26 1lrq h PHE 2103N 0.36 0.00 -0.66 0.00 0.04 -1.92 -2.72 116.94 112.04 1lrq h PHE 2103Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1lrq h PHE 2103Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1lrq h PHE 2103CO -0.15 0.05 0.00 1.28 -0.60 0.00 0.00 178.31 178.89 1lrq n LEU 2104N -3.37 3.78 0.05 1.54 4.77 -0.47 -4.59 117.00 118.71 1lrq n LEU 2104Ca -0.02 -2.00 0.05 0.00 -0.03 0.00 0.00 56.01 54.01 1lrq n LEU 2104Cb 0.19 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 41.07 1lrq n LEU 2104CO 0.26 0.94 0.65 0.00 -1.33 0.00 0.00 177.39 177.91 1lrq n ARG 2106N -1.75 0.94 -2.46 0.00 5.12 -1.26 -4.90 116.66 112.35 1lrq n ARG 2106Ca 0.00 -1.33 -0.40 0.00 -1.93 0.00 0.00 57.85 54.19 1lrq n ARG 2106Cb 0.05 -1.27 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 1lrq n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1lrq s GLN 2107N -1.16 3.16 0.22 5.56 -1.52 -0.60 -4.90 119.66 120.43 1lrq s GLN 2107Ca 0.16 -0.31 -0.11 0.00 -1.95 0.00 0.00 55.36 53.16 1lrq s GLN 2107Cb 0.12 -4.50 0.31 0.00 -0.22 0.00 0.00 33.01 28.72 1lrq s GLN 2107CO 0.17 -2.30 1.63 1.15 -0.25 0.00 0.00 175.29 175.69 1lrq h THR 2108N 6.37 0.36 -0.24 -0.19 2.02 -1.90 -2.12 112.91 117.21 1lrq h THR 2108Ca -0.16 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1lrq h THR 2108Cb 1.06 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1lrq h THR 2108CO 1.30 0.01 -0.12 0.44 0.37 0.00 0.00 175.52 177.52 1lrq h ASP 2109N 0.04 0.37 -0.27 4.18 3.32 -1.99 -0.26 116.42 121.82 1lrq h ASP 2109Ca 0.35 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1lrq h ASP 2109Cb 0.56 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1lrq h ASP 2109CO -0.66 0.53 -0.13 0.25 -1.72 0.00 0.00 179.24 177.51 1lrq h LEU 2110N 0.36 0.58 -0.43 1.55 5.85 -1.78 0.53 115.31 121.98 1lrq h LEU 2110Ca 0.07 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1lrq h LEU 2110Cb 0.44 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1lrq h LEU 2110CO 0.03 0.86 0.21 -0.07 -0.34 0.00 0.00 178.44 179.12 1lrq h LEU 2111N 0.30 0.56 -0.68 2.25 3.38 -1.20 -1.34 115.31 118.57 1lrq h LEU 2111Ca 0.06 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1lrq h LEU 2111Cb 0.64 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1lrq h LEU 2111CO 0.04 0.52 0.05 -0.07 0.09 0.00 0.00 178.44 179.07 1lrq h LEU 2112N 0.55 1.04 -0.98 1.67 3.38 -0.96 -1.29 115.31 118.71 1lrq h LEU 2112Ca 0.15 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1lrq h LEU 2112Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1lrq h LEU 2112CO -0.02 1.06 0.16 0.00 0.09 0.00 0.00 178.44 179.73 1lrq h ALA 2113N 1.05 1.18 -0.25 1.53 0.00 -0.67 -0.58 119.26 121.52 1lrq h ALA 2113Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1lrq h ALA 2113Cb 0.50 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lrq h ALA 2113CO 0.02 0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.63 1lrq h ALA 2114N 1.31 0.37 -0.46 0.00 0.00 -1.00 -3.18 119.26 116.29 1lrq h ALA 2114Ca 0.19 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1lrq h ALA 2114Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1lrq h ALA 2114CO -0.00 0.31 0.07 0.00 0.00 0.00 0.00 179.25 179.62 1lrq h ALA 2115N 0.70 1.26 -0.13 0.00 0.00 -0.95 -2.87 119.26 117.27 1lrq h ALA 2115Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1lrq h ALA 2115Cb 0.75 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1lrq h ALA 2115CO 0.05 0.51 -0.01 -0.22 0.00 0.00 0.00 179.25 179.57 1lrq h LYS 2116N 0.68 0.18 0.00 0.00 3.64 -1.09 -2.56 116.57 117.42 1lrq h LYS 2116Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1lrq h LYS 2116Cb 0.32 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1lrq h LYS 2116CO 0.00 0.22 0.00 1.79 -2.27 0.00 0.00 179.45 179.19 1lrq h THR 2117N 0.18 0.00 0.00 1.00 1.35 -1.52 -3.46 112.91 110.47 1lrq h THR 2117Ca 0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1lrq h THR 2117Cb 0.15 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1lrq h THR 2117CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1lrq n GLY 2118N -0.68 1.10 3.93 5.82 0.00 -0.96 -5.03 105.19 109.36 1lrq n GLY 2118Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1lrq n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lrq s ARG 2119N -0.09 2.04 0.50 1.61 1.81 -1.26 -4.94 118.95 118.61 1lrq s ARG 2119Ca 0.00 -0.28 -0.19 0.00 -1.72 0.00 0.00 55.73 53.54 1lrq s ARG 2119Cb 0.00 -2.14 -0.08 0.00 -0.45 0.00 0.00 34.95 32.28 1lrq s ARG 2119CO 0.00 -1.36 1.01 0.00 -0.68 0.00 0.00 175.30 174.27 1lrq s ALA 2120N -3.31 2.94 -0.08 2.13 0.00 -1.04 -4.76 121.76 117.64 1lrq s ALA 2120Ca 0.62 0.42 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1lrq s ALA 2120Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1lrq s ALA 2120CO 0.46 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.85 1lrq s VAL 2121N -2.26 1.61 -0.25 0.00 1.01 -0.29 -0.69 120.40 119.52 1lrq s VAL 2121Ca 0.63 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1lrq s VAL 2121Cb -0.13 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1lrq s VAL 2121CO 0.24 0.46 -0.09 0.21 0.00 0.00 0.00 175.10 175.91 1lrq s ASN 2122N 0.41 4.32 -0.24 3.32 3.04 -0.18 -0.68 114.94 124.93 1lrq s ASN 2122Ca -0.15 -1.16 -0.11 0.00 0.04 0.00 0.00 52.86 51.49 1lrq s ASN 2122Cb -0.16 -1.59 -0.05 0.00 -1.54 0.00 0.00 41.25 37.90 1lrq s ASN 2122CO 0.06 -0.16 0.17 -0.69 -3.04 0.00 0.00 177.10 173.43 1lrq s VAL 2123N 1.20 5.35 -0.07 -5.21 1.01 -0.28 -0.77 120.40 121.63 1lrq s VAL 2123Ca -0.04 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1lrq s VAL 2123Cb -0.18 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1lrq s VAL 2123CO -0.05 0.33 1.12 -0.54 0.00 0.00 0.00 175.10 175.97 1lrq s LYS 2124N 1.13 4.39 -0.10 2.72 -0.14 -0.42 -0.82 119.74 126.50 1lrq s LYS 2124Ca 0.08 1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 55.96 1lrq s LYS 2124Cb -0.14 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.43 1lrq s LYS 2124CO 0.05 -0.38 1.57 0.21 -0.76 0.00 0.00 175.35 176.04 1lrq s LYS 2125N 2.06 4.14 0.45 1.68 2.20 0.04 -3.87 119.74 126.45 1lrq s LYS 2125Ca 0.53 2.02 -0.23 0.00 -0.36 0.00 0.00 55.97 57.93 1lrq s LYS 2125Cb -0.22 -3.95 -0.10 0.00 -1.51 0.00 0.00 37.83 32.05 1lrq s LYS 2125CO 0.21 -0.87 0.98 0.41 -0.36 0.00 0.00 175.35 175.72 1lrq n GLY 2126N 4.09 -0.28 0.08 5.54 0.00 -1.24 -4.57 105.19 108.82 1lrq n GLY 2126Ca 0.17 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1lrq n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lrq n GLN 2127N -0.03 0.09 0.00 1.61 3.00 -1.26 -1.76 117.38 119.03 1lrq n GLN 2127Ca 0.10 0.48 0.11 0.00 -0.01 0.00 0.00 57.00 57.68 1lrq n GLN 2127Cb 0.41 -1.73 0.02 0.00 0.00 0.00 0.00 30.24 28.93 1lrq n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1lrq n PHE 2128N -1.92 0.00 -3.51 1.08 1.16 -1.26 -1.35 117.46 111.66 1lrq n PHE 2128Ca 0.01 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.22 1lrq n PHE 2128Cb 0.10 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.91 1lrq n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1lrq s LEU 2129N -2.30 4.43 0.35 5.98 2.96 -0.72 -5.07 118.68 124.31 1lrq s LEU 2129Ca 0.20 0.93 -0.11 0.00 -0.22 0.00 0.00 54.13 54.93 1lrq s LEU 2129Cb 0.18 -2.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.06 1lrq s LEU 2129CO 0.49 0.27 0.71 0.00 -1.32 0.00 0.00 176.35 176.50 1lrq s ALA 2130N -1.19 3.40 0.23 5.97 0.00 -1.26 -4.92 121.76 123.98 1lrq s ALA 2130Ca 0.27 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 1lrq s ALA 2130Cb -0.16 -2.64 0.40 0.00 0.00 0.00 0.00 23.12 20.72 1lrq s ALA 2130CO 0.15 0.15 1.71 -1.35 0.00 0.00 0.00 175.76 176.42 1lrq h PRO 2131N 1.66 0.34 0.00 0.00 0.11 -1.98 -0.26 132.00 131.87 1lrq h PRO 2131Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1lrq h PRO 2131Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1lrq h PRO 2131CO 0.65 0.22 0.00 0.11 -0.21 0.00 0.00 178.00 178.77 1lrq h TRP 2132N 0.35 0.00 0.00 0.65 0.09 -1.93 -2.62 115.95 112.48 1lrq h TRP 2132Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.36 1lrq h TRP 2132Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.82 1lrq h TRP 2132CO -0.21 0.00 0.00 -0.44 0.09 0.00 0.00 178.44 177.88 1lrq h ASP 2133N 0.00 0.00 0.96 0.11 3.32 -1.42 -2.92 116.42 116.47 1lrq h ASP 2133Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lrq h ASP 2133Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1lrq h ASP 2133CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 1lrq n THR 2134N -2.44 0.64 -0.28 0.35 -2.24 -0.99 -3.34 114.28 105.98 1lrq n THR 2134Ca 0.01 0.04 -0.04 0.00 -2.27 0.00 0.00 64.05 61.79 1lrq n THR 2134Cb 0.23 -0.84 0.08 0.00 -2.10 0.00 0.00 70.33 67.69 1lrq n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1lrq h LYS 2135N 0.00 0.99 -0.07 -0.78 3.64 -1.73 -1.80 116.57 116.83 1lrq h LYS 2135Ca 0.00 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1lrq h LYS 2135Cb 0.48 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1lrq h LYS 2135CO 0.00 0.66 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.62 1lrq h ASN 2136N 1.02 0.12 -0.25 4.20 -0.26 -1.80 -1.93 115.58 116.68 1lrq h ASN 2136Ca 0.29 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.96 1lrq h ASN 2136Cb -0.08 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1lrq h ASN 2136CO -0.08 0.43 0.04 0.58 -1.06 0.00 0.00 177.43 177.34 1lrq h VAL 2137N 0.11 1.23 -0.76 2.81 2.07 -1.49 -2.08 116.25 118.14 1lrq h VAL 2137Ca 0.02 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1lrq h VAL 2137Cb 0.60 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1lrq h VAL 2137CO 0.04 0.24 0.46 0.58 0.02 0.00 0.00 177.57 178.92 1lrq h VAL 2138N 0.23 1.21 -0.82 2.57 2.07 -1.12 -2.54 116.25 117.85 1lrq h VAL 2138Ca 0.08 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1lrq h VAL 2138Cb 0.32 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1lrq h VAL 2138CO 0.00 0.22 0.51 -0.08 0.02 0.00 0.00 177.57 178.25 1lrq h GLU 2139N 1.04 1.09 -0.41 1.57 4.81 -1.14 -0.57 114.58 120.97 1lrq h GLU 2139Ca 0.27 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1lrq h GLU 2139Cb -0.04 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1lrq h GLU 2139CO -0.05 0.75 0.20 0.87 -0.73 0.00 0.00 179.01 180.05 1lrq h LYS 2140N 1.12 0.59 -0.67 1.92 1.57 -0.97 -0.69 116.57 119.44 1lrq h LYS 2140Ca 0.30 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1lrq h LYS 2140Cb -0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1lrq h LYS 2140CO -0.06 0.52 0.21 -0.07 -0.57 0.00 0.00 179.45 179.48 1lrq h LEU 2141N 0.53 0.97 -0.70 2.94 3.38 -1.14 -1.18 115.31 120.11 1lrq h LEU 2141Ca 0.14 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1lrq h LEU 2141Cb 0.12 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1lrq h LEU 2141CO -0.02 0.92 0.17 0.11 0.09 0.00 0.00 178.44 179.71 1lrq h LYS 2142N 0.97 1.11 -0.24 1.13 1.57 -0.92 0.13 116.57 120.33 1lrq h LYS 2142Ca 0.22 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1lrq h LYS 2142Cb 0.29 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1lrq h LYS 2142CO -0.01 0.98 0.05 0.35 -0.57 0.00 0.00 179.45 180.26 1lrq h PHE 2143N 1.04 0.34 -0.05 -1.35 3.57 -0.80 -1.73 116.94 117.97 1lrq h PHE 2143Ca 0.22 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1lrq h PHE 2143Cb 0.36 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1lrq h PHE 2143CO 0.03 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 176.83 1lrq n GLY 2144N -1.21 -0.49 0.39 2.40 0.00 -0.48 -4.90 105.19 100.90 1lrq n GLY 2144Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1lrq n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lrq n GLY 2145N 1.00 0.71 3.74 -0.02 0.00 -0.65 -3.73 105.19 106.24 1lrq n GLY 2145Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1lrq n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lrq s ALA 2146N -2.18 3.46 -0.09 4.61 0.00 -0.05 -4.92 121.76 122.59 1lrq s ALA 2146Ca 0.00 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.01 1lrq s ALA 2146Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1lrq s ALA 2146CO 0.00 -0.41 0.00 1.63 0.00 0.00 0.00 175.76 176.98 1lrq n LYS 2147N 2.56 2.04 -3.72 0.00 5.02 -1.26 -4.37 118.16 118.43 1lrq n LYS 2147Ca 0.05 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 1lrq n LYS 2147Cb 0.44 -1.23 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 1lrq n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1lrq s GLU 2148N -2.22 2.40 -0.09 1.97 2.12 -1.26 -5.08 118.70 116.55 1lrq s GLU 2148Ca -0.07 -1.51 0.04 0.00 0.36 0.00 0.00 54.97 53.80 1lrq s GLU 2148Cb 0.03 -3.60 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 1lrq s GLU 2148CO 0.34 -0.91 -0.23 0.42 -0.54 0.00 0.00 175.26 174.34 1lrq s ILE 2149N 1.31 2.00 0.11 -3.70 1.01 -1.26 -1.14 121.20 119.54 1lrq s ILE 2149Ca 0.03 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.77 1lrq s ILE 2149Cb -0.22 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1lrq s ILE 2149CO -0.00 0.55 -0.23 -0.31 0.00 0.00 0.00 174.94 174.95 1lrq s TYR 2150N 0.27 1.95 -0.08 3.97 1.51 0.14 -2.86 117.35 122.25 1lrq s TYR 2150Ca -0.16 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1lrq s TYR 2150Cb -0.17 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1lrq s TYR 2150CO 0.08 0.25 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.06 1lrq s LEU 2151N -1.98 1.95 -0.16 -1.29 1.43 -0.52 -1.13 118.68 116.98 1lrq s LEU 2151Ca 0.09 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1lrq s LEU 2151Cb -0.10 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 1lrq s LEU 2151CO 0.05 0.13 -0.09 -0.89 0.23 0.00 0.00 176.35 175.78 1lrq s THR 2152N 0.37 3.26 -0.10 5.49 2.01 0.00 -0.90 115.64 125.78 1lrq s THR 2152Ca -0.16 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 1lrq s THR 2152Cb -0.17 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1lrq s THR 2152CO 0.07 0.49 0.94 -0.70 -0.69 0.00 0.00 174.62 174.73 1lrq s GLU 2153N 0.68 4.41 -0.01 4.92 2.56 0.25 -0.78 118.70 130.73 1lrq s GLU 2153Ca -0.05 1.28 0.15 0.00 0.00 0.00 0.00 54.97 56.35 1lrq s GLU 2153Cb -0.15 -3.53 0.26 0.00 2.00 0.00 0.00 34.13 32.71 1lrq s GLU 2153CO 0.02 -0.26 1.11 2.89 -0.56 0.00 0.00 175.26 178.46 1lrq n ARG 2154N 4.84 0.12 0.00 4.30 -4.01 -1.26 -0.61 116.66 120.03 1lrq n ARG 2154Ca 0.07 -1.70 0.00 0.00 -1.04 0.00 0.00 57.85 55.18 1lrq n ARG 2154Cb 0.49 -0.32 0.00 0.00 -3.04 0.00 0.00 32.46 29.59 1lrq n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1lrq n GLY 2155N 0.17 0.78 3.18 2.89 0.00 -1.26 -3.91 105.19 107.03 1lrq n GLY 2155Ca 0.05 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1lrq n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lrq s THR 2156N -2.97 1.23 0.07 2.61 2.01 0.11 -4.35 115.64 114.36 1lrq s THR 2156Ca 0.00 -1.14 -0.34 0.00 0.31 0.00 0.00 61.69 60.51 1lrq s THR 2156Cb 0.00 -1.13 -0.13 0.00 0.01 0.00 0.00 72.50 71.25 1lrq s THR 2156CO 0.00 -0.03 1.66 0.41 -0.69 0.00 0.00 174.62 175.97 1lrq n THR 2157N 1.67 0.18 -3.59 -0.82 -1.04 -0.45 -1.56 114.28 108.67 1lrq n THR 2157Ca -0.19 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1lrq n THR 2157Cb 0.54 -1.59 -0.12 0.00 -1.82 0.00 0.00 70.33 67.33 1lrq n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1lrq s PHE 2158N 1.89 1.37 0.00 -1.42 5.36 -0.82 -4.85 117.98 119.51 1lrq s PHE 2158Ca 0.84 -2.05 0.00 0.00 -0.96 0.00 0.00 56.93 54.76 1lrq s PHE 2158Cb -0.70 -1.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1lrq s PHE 2158CO 0.43 -0.80 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 1lrq n GLY 2159N 3.75 -0.32 3.87 13.12 0.00 -1.26 -4.34 105.19 120.01 1lrq n GLY 2159Ca 0.11 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1lrq n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lrq s TYR 2160N 0.00 3.62 -1.58 1.61 2.02 -1.26 -4.47 117.35 117.29 1lrq s TYR 2160Ca 0.00 0.73 -0.15 0.00 -0.37 0.00 0.00 57.07 57.27 1lrq s TYR 2160Cb 0.00 -2.10 0.11 0.00 -0.40 0.00 0.00 41.96 39.57 1lrq s TYR 2160CO 0.00 0.61 0.93 0.09 -1.57 0.00 0.00 175.55 175.61 1lrq n ASN 2161N 1.32 -4.42 -3.68 2.29 3.02 -1.26 -4.96 115.26 107.58 1lrq n ASN 2161Ca -0.12 -0.84 -0.14 0.00 -0.03 0.00 0.00 54.58 53.44 1lrq n ASN 2161Cb 0.53 -3.57 -0.08 0.00 -0.61 0.00 0.00 39.78 36.04 1lrq n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1lrq s ASN 2162N -3.30 -0.49 -0.00 6.41 3.04 -1.26 -4.21 114.94 115.13 1lrq s ASN 2162Ca 0.69 0.78 0.06 0.00 0.04 0.00 0.00 52.86 54.43 1lrq s ASN 2162Cb -0.35 0.80 -0.02 0.00 -1.54 0.00 0.00 41.25 40.14 1lrq s ASN 2162CO 0.86 -0.32 -0.20 -0.76 -3.04 0.00 0.00 177.10 173.64 1lrq s LEU 2163N -0.34 2.06 0.05 3.21 1.43 -1.26 -1.95 118.68 121.88 1lrq s LEU 2163Ca -0.05 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1lrq s LEU 2163Cb -0.03 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1lrq s LEU 2163CO 0.03 0.22 -0.24 0.54 0.23 0.00 0.00 176.35 177.13 1lrq s VAL 2164N -0.52 1.97 -0.36 -1.59 0.11 -0.60 -4.85 120.40 114.56 1lrq s VAL 2164Ca 0.07 -1.33 -0.13 0.00 -2.93 0.00 0.00 61.98 57.67 1lrq s VAL 2164Cb -0.08 -1.69 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 1lrq s VAL 2164CO -0.00 0.31 0.25 -0.69 -3.33 0.00 0.00 175.10 171.64 1lrq s VAL 2165N -0.80 5.25 -0.67 2.04 1.01 -1.26 -0.71 120.40 125.25 1lrq s VAL 2165Ca 0.10 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 1lrq s VAL 2165Cb -0.10 -3.76 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1lrq s VAL 2165CO 0.02 -0.09 0.79 -0.62 0.00 0.00 0.00 175.10 175.19 1lrq s ASP 2166N 1.71 6.32 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.76 1lrq s ASP 2166Ca 0.06 -1.66 0.02 0.00 -0.52 0.00 0.00 52.55 50.46 1lrq s ASP 2166Cb -0.18 -2.31 0.11 0.00 -1.46 0.00 0.00 42.92 39.08 1lrq s ASP 2166CO 0.10 -1.06 1.08 0.49 0.52 0.00 0.00 175.17 176.30 1lrq n PHE 2167N 6.14 0.00 0.30 -5.34 3.01 -1.26 -1.11 117.46 119.21 1lrq n PHE 2167Ca -0.02 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.63 1lrq n PHE 2167Cb 0.44 -0.50 0.93 0.00 -0.01 0.00 0.00 39.48 40.34 1lrq n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lrq h ARG 2168N 0.00 0.00 -0.34 -1.08 3.08 -2.03 -2.65 114.38 111.36 1lrq h ARG 2168Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1lrq h ARG 2168Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1lrq h ARG 2168CO 0.00 0.02 0.04 0.66 -1.07 0.00 0.00 179.97 179.62 1lrq h SER 2169N 0.00 0.47 0.61 7.04 4.64 -1.54 -3.03 113.55 121.74 1lrq h SER 2169Ca -0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1lrq h SER 2169Cb 0.25 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1lrq h SER 2169CO 0.00 0.51 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.96 1lrq h LEU 2170N 0.50 -1.15 -1.43 5.97 4.07 -1.69 0.11 115.31 121.68 1lrq h LEU 2170Ca 0.11 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 1lrq h LEU 2170Cb 0.26 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 1lrq h LEU 2170CO 0.00 -0.65 -0.10 1.55 -1.08 0.00 0.00 178.44 178.17 1lrq h PRO 2171N -1.01 0.26 -0.17 1.13 0.13 -1.74 -2.15 132.00 128.44 1lrq h PRO 2171Ca -0.07 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 1lrq h PRO 2171Cb 0.84 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1lrq h PRO 2171CO 0.03 0.37 -0.01 0.82 -0.23 0.00 0.00 178.00 178.98 1lrq h ILE 2172N 0.25 1.26 0.00 -3.56 2.04 -1.37 -3.14 117.51 113.00 1lrq h ILE 2172Ca 0.05 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 1lrq h ILE 2172Cb 0.33 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1lrq h ILE 2172CO 0.02 0.27 -0.32 0.24 0.00 0.00 0.00 178.15 178.36 1lrq h MET 2173N 0.05 0.00 0.00 2.37 2.86 -0.85 -2.88 114.93 116.48 1lrq h MET 2173Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1lrq h MET 2173Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1lrq h MET 2173CO 0.01 0.32 0.00 -0.22 1.06 0.00 0.00 176.91 178.08 1lrq h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.33 -2.05 116.57 116.53 1lrq h LYS 2174Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1lrq h LYS 2174Cb 0.82 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 1lrq h LYS 2174CO 0.04 0.00 -0.18 1.96 -3.45 0.00 0.00 179.45 177.82 1lrq h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.59 -3.33 115.11 116.30 1lrq h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lrq h GLN 2175Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1lrq h GLN 2175CO 0.00 0.18 0.00 -2.67 -0.67 0.00 0.00 178.83 175.67 1lrq n TRP 2176N -4.20 0.00 -3.74 2.96 2.14 -0.81 -5.11 117.44 108.68 1lrq n TRP 2176Ca -0.02 -0.06 -0.06 0.00 2.07 0.00 0.00 57.50 59.43 1lrq n TRP 2176Cb 0.25 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.73 1lrq n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1lrq s ALA 2177N -0.12 -1.49 0.27 -1.67 0.00 -0.95 -4.99 121.76 112.81 1lrq s ALA 2177Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.75 1lrq s ALA 2177Cb 0.00 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 1lrq s ALA 2177CO 0.00 -0.98 0.99 0.15 0.00 0.00 0.00 175.76 175.93 1lrq s LYS 2178N -3.57 4.72 -0.12 0.00 1.02 -1.13 -4.13 119.74 116.53 1lrq s LYS 2178Ca 0.10 1.57 -0.01 0.00 0.02 0.00 0.00 55.97 57.64 1lrq s LYS 2178Cb -0.03 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1lrq s LYS 2178CO 0.01 0.36 -0.08 0.08 -0.92 0.00 0.00 175.35 174.80 1lrq s VAL 2179N -1.26 3.54 0.01 3.17 1.01 -1.26 -1.44 120.40 124.18 1lrq s VAL 2179Ca 0.44 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1lrq s VAL 2179Cb -0.27 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1lrq s VAL 2179CO 0.33 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 175.14 1lrq s ILE 2180N -0.00 2.65 -0.22 2.22 -1.09 -0.07 0.35 121.20 125.04 1lrq s ILE 2180Ca -0.01 -1.11 -0.05 0.00 -2.23 0.00 0.00 60.65 57.25 1lrq s ILE 2180Cb -0.14 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1lrq s ILE 2180CO 0.03 0.43 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.69 1lrq s TYR 2181N -0.82 3.01 -0.72 3.97 5.04 -0.41 -0.59 117.35 126.83 1lrq s TYR 2181Ca 0.13 -0.66 -0.23 0.00 -2.44 0.00 0.00 57.07 53.87 1lrq s TYR 2181Cb -0.10 -2.12 0.07 0.00 0.35 0.00 0.00 41.96 40.16 1lrq s TYR 2181CO 0.03 -0.40 1.07 0.34 -1.34 0.00 0.00 175.55 175.25 1lrq s ASP 2182N 1.32 6.24 0.38 4.32 -1.08 0.22 -0.03 116.67 128.04 1lrq s ASP 2182Ca 0.04 -1.04 0.17 0.00 -0.52 0.00 0.00 52.55 51.20 1lrq s ASP 2182Cb -0.15 -2.45 0.74 0.00 -1.46 0.00 0.00 42.92 39.60 1lrq s ASP 2182CO 0.00 -1.47 1.78 0.00 0.52 0.00 0.00 175.17 176.00 1lrq h ALA 2183N 9.58 1.11 0.02 3.66 0.00 -1.28 -2.79 119.26 129.56 1lrq h ALA 2183Ca -0.21 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.02 1lrq h ALA 2183Cb 1.06 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1lrq h ALA 2183CO 1.21 0.47 -2.02 0.25 0.00 0.00 0.00 179.25 179.16 1lrq n THR 2184N -3.70 1.57 0.12 0.00 -2.24 -1.25 -4.29 114.28 104.48 1lrq n THR 2184Ca -0.01 -0.77 -0.01 0.00 -2.27 0.00 0.00 64.05 60.99 1lrq n THR 2184Cb 0.47 -1.04 0.07 0.00 -2.10 0.00 0.00 70.33 67.72 1lrq n THR 2184CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1lrq h GLY 2185N 3.07 0.00 2.00 3.38 0.00 -1.88 -3.27 103.07 106.37 1lrq h GLY 2185Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1lrq h GLY 2185CO 0.05 0.00 0.00 1.76 0.00 0.00 0.00 176.54 178.35 1lrq h SER 2186N 0.00 0.00 -0.24 0.19 0.02 -1.61 -2.90 113.55 109.01 1lrq h SER 2186Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1lrq h SER 2186Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1lrq h SER 2186CO 0.09 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.11 1lrq n VAL 2187N -2.41 0.47 -2.72 2.27 0.24 -1.23 -4.73 118.33 110.22 1lrq n VAL 2187Ca 0.01 -0.73 -0.34 0.00 -2.04 0.00 0.00 64.34 61.24 1lrq n VAL 2187Cb 0.22 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 1lrq n VAL 2187CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lrq s GLN 2188N -1.16 4.11 -0.52 7.34 -2.07 -1.10 -2.43 119.66 123.84 1lrq s GLN 2188Ca 0.25 1.23 -0.09 0.00 -1.82 0.00 0.00 55.36 54.93 1lrq s GLN 2188Cb 0.15 -2.20 0.13 0.00 -1.09 0.00 0.00 33.01 30.00 1lrq s GLN 2188CO 0.21 -0.14 0.39 -0.51 -1.32 0.00 0.00 175.29 173.92 1lrq s LEU 2189N -3.19 5.74 -0.06 2.60 1.43 -1.26 -4.25 118.68 119.69 1lrq s LEU 2189Ca 0.63 -2.10 -0.39 0.00 -1.03 0.00 0.00 54.13 51.24 1lrq s LEU 2189Cb -0.12 -2.01 -0.17 0.00 0.03 0.00 0.00 46.19 43.91 1lrq s LEU 2189CO 0.16 -0.65 1.40 -2.65 0.23 0.00 0.00 176.35 174.84 1lrq n PRO 2190N 4.66 0.81 -1.02 1.29 -0.02 -1.26 -4.66 135.00 134.79 1lrq n PRO 2190Ca -0.04 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 1lrq n PRO 2190Cb 0.41 -1.90 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1lrq n PRO 2190CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lrq n GLY 2191N 2.81 0.41 3.15 -1.23 0.00 -1.26 -4.20 105.19 104.86 1lrq n GLY 2191Ca 0.22 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 1lrq n GLY 2191CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lrq n GLY 2199N -1.77 2.32 3.25 -0.02 0.00 -1.26 -5.05 105.19 102.67 1lrq n GLY 2199Ca -0.01 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 1lrq n GLY 2199CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lrq s MET 2200N -2.85 2.72 0.53 1.61 -1.94 -1.02 -4.80 119.30 113.54 1lrq s MET 2200Ca 0.29 -1.09 0.24 0.00 -1.71 0.00 0.00 55.69 53.42 1lrq s MET 2200Cb -0.00 -3.30 1.46 0.00 2.01 0.00 0.00 34.83 34.99 1lrq s MET 2200CO 0.21 -0.56 2.12 -0.09 -0.01 0.00 0.00 175.02 176.69 1lrq h ARG 2201N 8.14 0.00 0.00 2.03 2.43 -1.90 -2.46 114.38 122.63 1lrq h ARG 2201Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1lrq h ARG 2201Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1lrq h ARG 2201CO 0.58 0.09 0.00 1.05 -1.51 0.00 0.00 179.97 180.18 1lrq h GLU 2202N 0.00 0.00 -0.01 0.20 4.11 -1.94 -2.15 114.58 114.79 1lrq h GLU 2202Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1lrq h GLU 2202Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1lrq h GLU 2202CO 0.01 0.00 -0.46 1.19 0.07 0.00 0.00 179.01 179.82 1lrq n PHE 2203N -2.51 0.00 0.16 2.06 3.72 -0.92 -4.58 117.46 115.38 1lrq n PHE 2203Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 1lrq n PHE 2203Cb 0.06 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 1lrq n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1lrq h ILE 2204N 1.90 0.48 -0.06 4.37 2.04 -1.52 -2.32 117.51 122.40 1lrq h ILE 2204Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1lrq h ILE 2204Cb 0.63 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1lrq h ILE 2204CO 0.00 0.00 0.01 0.15 0.00 0.00 0.00 178.15 178.31 1lrq h PHE 2205N -0.51 0.10 -0.63 1.37 -0.00 -1.81 -1.94 116.94 113.53 1lrq h PHE 2205Ca -0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 57.97 58.03 1lrq h PHE 2205Cb 0.48 -0.03 -0.06 0.00 -0.00 0.00 0.00 35.95 36.34 1lrq h PHE 2205CO -0.17 0.33 0.30 -1.35 -0.00 0.00 0.00 178.31 177.42 1lrq h PRO 2206N -0.15 0.52 -0.03 6.41 0.11 -1.80 -1.40 132.00 135.65 1lrq h PRO 2206Ca 0.02 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1lrq h PRO 2206Cb 0.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1lrq h PRO 2206CO 0.00 0.34 -0.54 -0.07 -0.21 0.00 0.00 178.00 177.52 1lrq h LEU 2207N 0.54 0.10 -0.72 2.35 3.38 -1.38 -2.27 115.31 117.31 1lrq h LEU 2207Ca 0.30 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1lrq h LEU 2207Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1lrq h LEU 2207CO -0.24 0.63 -0.61 -0.29 0.09 0.00 0.00 178.44 178.01 1lrq h ILE 2208N 0.07 1.42 -0.64 1.22 2.10 -0.86 -1.09 117.51 119.72 1lrq h ILE 2208Ca -0.00 -2.06 -0.07 0.00 1.08 0.00 0.00 64.86 63.80 1lrq h ILE 2208Cb 0.98 2.09 -0.03 0.00 -1.09 0.00 0.00 36.82 38.77 1lrq h ILE 2208CO 0.08 0.60 0.11 0.03 -1.08 0.00 0.00 178.15 177.88 1lrq h ARG 2209N 0.07 1.06 -0.64 2.19 3.08 -0.97 -2.47 114.38 116.70 1lrq h ARG 2209Ca -0.01 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1lrq h ARG 2209Cb 1.10 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 1lrq h ARG 2209CO 0.09 0.98 0.35 0.00 -1.07 0.00 0.00 179.97 180.31 1lrq h ALA 2210N 1.04 0.82 -0.42 0.04 0.00 -1.04 -1.78 119.26 117.92 1lrq h ALA 2210Ca 0.20 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1lrq h ALA 2210Cb 0.43 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1lrq h ALA 2210CO 0.01 0.34 0.14 0.00 0.00 0.00 0.00 179.25 179.75 1lrq h ALA 2211N 1.17 0.49 0.00 0.00 0.00 -0.78 -0.55 119.26 119.60 1lrq h ALA 2211Ca 0.23 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1lrq h ALA 2211Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1lrq h ALA 2211CO -0.04 -0.25 -0.33 -0.39 0.00 0.00 0.00 179.25 178.24 1lrq h VAL 2212N 0.30 0.64 -0.17 0.00 -1.51 -1.29 -0.31 116.25 113.91 1lrq h VAL 2212Ca 0.20 -1.64 -0.17 0.00 -1.23 0.00 0.00 66.70 63.86 1lrq h VAL 2212Cb 0.19 2.11 -0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1lrq h VAL 2212CO -0.21 0.33 -0.59 0.00 -1.23 0.00 0.00 177.57 175.87 1lrq h ALA 2213N 1.67 0.65 -0.04 5.19 0.00 -0.76 -3.17 119.26 122.80 1lrq h ALA 2213Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1lrq h ALA 2213Cb 1.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1lrq h ALA 2213CO 0.04 0.70 -0.30 0.28 0.00 0.00 0.00 179.25 179.98 1lrq h VAL 2214N 0.41 1.46 0.00 0.00 2.07 -1.02 -3.47 116.25 115.71 1lrq h VAL 2214Ca -0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1lrq h VAL 2214Cb 1.15 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1lrq h VAL 2214CO 0.11 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.82 1lrq n GLY 2215N 0.81 3.02 3.36 2.17 0.00 -0.14 -4.82 105.19 109.60 1lrq n GLY 2215Ca -0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1lrq n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lrq n ASP 2217N -0.31 1.37 0.00 0.00 8.00 0.16 -4.99 116.55 120.78 1lrq n ASP 2217Ca -0.00 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1lrq n ASP 2217Cb 0.64 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 1lrq n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lrq n GLY 2218N 1.38 0.68 3.30 0.44 0.00 -1.10 -1.77 105.19 108.12 1lrq n GLY 2218Ca 0.11 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1lrq n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lrq s VAL 2219N -2.00 1.66 -0.11 1.61 1.01 -0.20 -1.28 120.40 121.08 1lrq s VAL 2219Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.19 1lrq s VAL 2219Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1lrq s VAL 2219CO 0.00 -0.31 -0.14 0.12 0.00 0.00 0.00 175.10 174.77 1lrq s PHE 2220N -1.95 1.89 -0.03 5.22 2.19 0.96 -1.02 117.98 125.24 1lrq s PHE 2220Ca 0.12 -0.89 -0.01 0.00 0.33 0.00 0.00 56.93 56.48 1lrq s PHE 2220Cb -0.06 -1.38 0.03 0.00 -1.31 0.00 0.00 43.02 40.30 1lrq s PHE 2220CO 0.05 -0.47 0.04 -1.64 1.83 0.00 0.00 175.22 175.03 1lrq s MET 2221N 1.05 -0.05 -0.10 10.12 -1.94 0.24 -0.83 119.30 127.79 1lrq s MET 2221Ca -0.06 0.25 -0.22 0.00 -1.71 0.00 0.00 55.69 53.96 1lrq s MET 2221Cb -0.15 -0.32 -0.04 0.00 2.01 0.00 0.00 34.83 36.34 1lrq s MET 2221CO -0.02 -0.22 0.63 -1.21 -0.01 0.00 0.00 175.02 174.20 1lrq s GLU 2222N 1.40 4.38 0.03 2.03 2.02 -1.26 -2.75 118.70 124.55 1lrq s GLU 2222Ca -0.05 0.73 0.03 0.00 0.02 0.00 0.00 54.97 55.71 1lrq s GLU 2222Cb -0.13 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 1lrq s GLU 2222CO -0.03 0.04 -0.10 -0.08 0.02 0.00 0.00 175.26 175.11 1lrq s THR 2223N 0.93 0.79 -0.04 3.63 -1.32 -0.16 -1.03 115.64 118.44 1lrq s THR 2223Ca 0.33 -0.82 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 1lrq s THR 2223Cb -0.17 -0.74 0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1lrq s THR 2223CO 0.15 -0.06 0.15 -2.28 -2.21 0.00 0.00 174.62 170.36 1lrq s HIS 2224N -0.80 -0.11 0.30 9.09 5.04 -0.66 -2.57 115.29 125.58 1lrq s HIS 2224Ca -0.01 0.27 0.05 0.00 -1.54 0.00 0.00 55.06 53.83 1lrq s HIS 2224Cb -0.07 0.03 0.69 0.00 0.04 0.00 0.00 32.58 33.27 1lrq s HIS 2224CO 0.01 -0.13 1.81 -1.35 -2.34 0.00 0.00 174.74 172.73 1lrq h PRO 2225N 5.51 0.81 -2.44 2.88 0.11 -1.94 -1.69 132.00 135.25 1lrq h PRO 2225Ca -0.26 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.21 1lrq h PRO 2225Cb 1.20 -0.18 -0.38 0.00 0.11 0.00 0.00 31.00 31.74 1lrq h PRO 2225CO 0.41 0.53 -0.94 -1.21 -0.21 0.00 0.00 178.00 176.59 1lrq s GLU 2226N -5.86 0.82 0.26 1.05 2.02 -1.26 -4.40 118.70 111.33 1lrq s GLU 2226Ca -0.11 -1.89 -0.03 0.00 0.02 0.00 0.00 54.97 52.95 1lrq s GLU 2226Cb 0.24 -1.41 0.54 0.00 0.10 0.00 0.00 34.13 33.60 1lrq s GLU 2226CO 0.80 -1.33 1.64 -1.35 0.02 0.00 0.00 175.26 175.04 1lrq h PRO 2227N 6.04 0.14 0.00 0.39 0.11 -1.85 0.93 132.00 137.75 1lrq h PRO 2227Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1lrq h PRO 2227Cb 0.93 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1lrq h PRO 2227CO 0.34 0.09 0.17 1.05 -0.21 0.00 0.00 178.00 179.44 1lrq h GLU 2228N 0.14 0.00 -0.02 1.05 4.11 -1.93 0.34 114.58 118.27 1lrq h GLU 2228Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 1lrq h GLU 2228Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1lrq h GLU 2228CO -0.67 0.00 -0.14 1.63 0.07 0.00 0.00 179.01 179.90 1lrq n LYS 2229N -2.95 1.85 -1.80 1.06 5.02 0.30 -4.99 118.16 116.65 1lrq n LYS 2229Ca -0.02 -1.55 -0.38 0.00 -2.02 0.00 0.00 58.31 54.34 1lrq n LYS 2229Cb 0.23 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 1lrq n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lrq s ALA 2230N -2.01 2.66 -1.10 7.82 0.00 0.12 -4.91 121.76 124.33 1lrq s ALA 2230Ca 0.23 1.26 0.27 0.00 0.00 0.00 0.00 51.96 53.72 1lrq s ALA 2230Cb 0.18 -3.55 0.84 0.00 0.00 0.00 0.00 23.12 20.59 1lrq s ALA 2230CO 0.36 -1.41 1.64 1.28 0.00 0.00 0.00 175.76 177.63 1lrq n LEU 2231N -1.35 0.35 -3.71 0.00 4.77 -1.26 -4.57 117.00 111.24 1lrq n LEU 2231Ca 0.12 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1lrq n LEU 2231Cb 0.46 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1lrq n LEU 2231CO 0.50 0.08 0.12 -0.94 -1.33 0.00 0.00 177.39 175.83 1lrq s SER 2232N -2.92 -0.41 -1.45 -1.43 1.04 -1.26 -4.49 113.70 102.78 1lrq s SER 2232Ca 0.15 0.66 -0.07 0.00 0.48 0.00 0.00 55.95 57.16 1lrq s SER 2232Cb 0.18 0.71 0.05 0.00 0.10 0.00 0.00 66.02 67.06 1lrq s SER 2232CO 0.61 -0.28 0.77 0.47 0.98 0.00 0.00 173.24 175.80 1lrq n ASP 2233N 2.23 -2.66 0.22 7.02 8.00 -1.26 -4.83 116.55 125.27 1lrq n ASP 2233Ca -0.16 -0.86 0.07 0.00 0.71 0.00 0.00 54.79 54.55 1lrq n ASP 2233Cb 0.57 -3.68 0.50 0.00 -0.02 0.00 0.00 41.12 38.49 1lrq n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lrq h ALA 2234N 0.91 1.32 0.00 2.24 0.00 -1.81 -2.23 119.26 119.69 1lrq h ALA 2234Ca -0.60 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1lrq h ALA 2234Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1lrq h ALA 2234CO 0.64 0.32 -0.21 0.43 0.00 0.00 0.00 179.25 180.43 1lrq n SER 2235N -3.86 0.43 0.00 0.00 7.64 -1.26 -4.06 113.62 112.51 1lrq n SER 2235Ca -0.02 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1lrq n SER 2235Cb 0.34 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1lrq n SER 2235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1lrq n THR 2236N -1.80 0.00 -2.11 0.44 -2.24 -1.10 -4.14 114.28 103.33 1lrq n THR 2236Ca 0.06 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1lrq n THR 2236Cb 0.38 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1lrq n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1lrq s GLN 2237N -1.32 4.33 0.10 -0.78 -0.21 -0.86 -4.80 119.66 116.12 1lrq s GLN 2237Ca 0.00 2.19 -0.30 0.00 0.02 0.00 0.00 55.36 57.27 1lrq s GLN 2237Cb 0.00 -3.15 -0.06 0.00 1.00 0.00 0.00 33.01 30.81 1lrq s GLN 2237CO 0.00 -0.33 1.07 -1.17 -2.12 0.00 0.00 175.29 172.74 1lrq s LEU 2238N -0.32 4.44 0.24 2.90 2.96 -0.20 -4.73 118.68 123.97 1lrq s LEU 2238Ca 0.58 1.92 -0.31 0.00 -0.22 0.00 0.00 54.13 56.09 1lrq s LEU 2238Cb -0.39 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 42.59 1lrq s LEU 2238CO 0.41 -0.26 1.69 -2.65 -1.32 0.00 0.00 176.35 174.22 1lrq n PRO 2239N 3.18 2.77 -0.34 0.98 -0.02 -1.26 -1.65 135.00 138.66 1lrq n PRO 2239Ca 0.05 0.99 0.19 0.00 -2.02 0.00 0.00 63.50 62.71 1lrq n PRO 2239Cb 0.48 -2.82 0.41 0.00 -0.02 0.00 0.00 33.50 31.55 1lrq n PRO 2239CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1lrq h LEU 2240N 6.12 0.63 -2.24 2.45 6.46 -1.51 -1.01 115.31 126.20 1lrq h LEU 2240Ca -0.44 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1lrq h LEU 2240Cb 1.21 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.16 1lrq h LEU 2240CO 0.90 0.11 -0.00 0.77 -0.62 0.00 0.00 178.44 179.60 1lrq h SER 2241N 0.55 0.00 0.45 1.25 4.64 -1.88 -2.61 113.55 115.94 1lrq h SER 2241Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1lrq h SER 2241Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1lrq h SER 2241CO -0.43 0.00 -0.48 0.00 -0.87 0.00 0.00 176.83 175.06 1lrq n GLN 2242N -3.11 0.12 -0.12 4.77 6.02 -0.38 -4.39 117.38 120.29 1lrq n GLN 2242Ca -0.01 -0.07 -0.08 0.00 -0.01 0.00 0.00 57.00 56.83 1lrq n GLN 2242Cb 0.19 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.95 1lrq n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1lrq h LEU 2243N 0.17 0.37 -0.13 1.08 5.85 -1.53 -2.71 115.31 118.41 1lrq h LEU 2243Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1lrq h LEU 2243Cb 0.50 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1lrq h LEU 2243CO 0.00 0.27 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.28 1lrq h GLU 2244N 0.46 0.02 -0.58 1.25 4.81 -1.79 -1.05 114.58 117.71 1lrq h GLU 2244Ca 0.15 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1lrq h GLU 2244Cb -0.01 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1lrq h GLU 2244CO -0.06 0.02 0.30 0.78 -0.73 0.00 0.00 179.01 179.31 1lrq h GLY 2245N 0.02 0.83 1.01 1.92 0.00 -1.81 -0.99 103.07 104.06 1lrq h GLY 2245Ca 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1lrq h GLY 2245CO -0.12 0.12 0.13 -2.22 0.00 0.00 0.00 176.54 174.45 1lrq h ILE 2246N 0.57 1.25 -0.32 2.60 2.04 -1.20 -1.20 117.51 121.25 1lrq h ILE 2246Ca 0.26 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.19 1lrq h ILE 2246Cb 0.17 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1lrq h ILE 2246CO -0.18 0.34 0.12 0.40 0.00 0.00 0.00 178.15 178.84 1lrq h ILE 2247N 0.83 1.19 -0.72 -0.67 2.04 -0.77 -0.04 117.51 119.37 1lrq h ILE 2247Ca 0.18 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1lrq h ILE 2247Cb 0.36 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1lrq h ILE 2247CO 0.00 0.20 0.46 -0.08 0.00 0.00 0.00 178.15 178.74 1lrq h GLU 2248N 0.37 0.96 -0.29 2.37 4.57 -1.09 -1.01 114.58 120.46 1lrq h GLU 2248Ca 0.11 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1lrq h GLU 2248Cb 0.20 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1lrq h GLU 2248CO -0.01 0.65 0.17 0.00 -1.18 0.00 0.00 179.01 178.64 1lrq h ALA 2249N 1.25 0.37 0.00 2.92 0.00 -0.85 -1.80 119.26 121.16 1lrq h ALA 2249Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1lrq h ALA 2249Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1lrq h ALA 2249CO -0.05 -0.11 -0.47 -0.84 0.00 0.00 0.00 179.25 177.77 1lrq h ILE 2250N 0.36 1.21 -0.50 0.00 3.07 -0.76 -2.02 117.51 118.88 1lrq h ILE 2250Ca 0.10 -1.69 -0.13 0.00 1.55 0.00 0.00 64.86 64.69 1lrq h ILE 2250Cb 0.04 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 1lrq h ILE 2250CO -0.02 0.46 -0.19 -0.07 -1.05 0.00 0.00 178.15 177.29 1lrq h LEU 2251N 0.00 1.03 -0.26 0.16 3.38 -0.92 -0.17 115.31 118.53 1lrq h LEU 2251Ca -0.00 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 1lrq h LEU 2251Cb 0.91 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1lrq h LEU 2251CO 0.06 1.19 0.03 -0.33 0.09 0.00 0.00 178.44 179.47 1lrq h GLU 2252N 0.88 0.45 -0.52 1.13 5.08 -1.13 -0.89 114.58 119.59 1lrq h GLU 2252Ca 0.12 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1lrq h GLU 2252Cb 0.77 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1lrq h GLU 2252CO 0.06 0.59 0.20 0.82 -1.00 0.00 0.00 179.01 179.68 1lrq h ILE 2253N 0.25 1.22 -0.83 3.13 2.04 -1.30 -2.63 117.51 119.39 1lrq h ILE 2253Ca 0.08 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1lrq h ILE 2253Cb 0.37 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1lrq h ILE 2253CO 0.01 0.26 0.53 -0.09 0.00 0.00 0.00 178.15 178.86 1lrq h ARG 2254N 0.70 1.11 -0.40 2.37 2.43 -0.93 0.16 114.38 119.83 1lrq h ARG 2254Ca 0.17 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1lrq h ARG 2254Cb 0.21 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1lrq h ARG 2254CO -0.01 0.76 0.10 1.49 -1.51 0.00 0.00 179.97 180.79 1lrq h GLU 2255N 1.14 0.22 -0.00 0.20 4.22 -0.80 0.21 114.58 119.77 1lrq h GLU 2255Ca 0.30 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.62 1lrq h GLU 2255Cb -0.09 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1lrq h GLU 2255CO -0.06 0.15 -0.42 0.28 -2.18 0.00 0.00 179.01 176.78 1lrq h VAL 2256N 0.23 1.49 -0.08 0.32 2.07 -1.23 -3.35 116.25 115.70 1lrq h VAL 2256Ca 0.19 -2.01 -0.11 0.00 0.82 0.00 0.00 66.70 65.60 1lrq h VAL 2256Cb 0.22 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1lrq h VAL 2256CO -0.24 0.57 -0.44 0.00 0.02 0.00 0.00 177.57 177.47 1lrq h ALA 2257N 0.29 1.11 -0.57 1.67 0.00 -0.54 -3.22 119.26 118.00 1lrq h ALA 2257Ca -0.05 -0.43 0.16 0.00 0.00 0.00 0.00 54.91 54.59 1lrq h ALA 2257Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1lrq h ALA 2257CO 0.08 0.60 0.53 0.66 0.00 0.00 0.00 179.25 181.13 1lrq h SER 2258N 0.15 0.00 0.02 0.00 4.64 -0.71 0.26 113.55 117.90 1lrq h SER 2258Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1lrq h SER 2258Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1lrq h SER 2258CO 0.07 0.00 -0.01 0.50 -0.87 0.00 0.00 176.83 176.52 1lrq h LYS 2259N 0.00 0.00 -0.02 4.77 3.64 -1.77 -2.70 116.57 120.49 1lrq h LYS 2259Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1lrq h LYS 2259Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1lrq h LYS 2259CO -0.00 0.01 -0.06 0.66 -2.27 0.00 0.00 179.45 177.79 1lrq n TYR 2260N -4.04 0.00 -1.70 1.91 4.02 0.90 -4.97 117.16 113.28 1lrq n TYR 2260Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 1lrq n TYR 2260Cb 0.09 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 1lrq n TYR 2260CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1lrq n TYR 2261N 0.99 2.68 -2.18 -0.72 4.01 -1.02 -4.92 117.16 116.00 1lrq n TYR 2261Ca 0.12 -0.03 -0.39 0.00 -0.16 0.00 0.00 57.90 57.43 1lrq n TYR 2261Cb 0.50 -2.70 -0.01 0.00 -0.31 0.00 0.00 39.34 36.83 1lrq n TYR 2261CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1lrq s GLU 2262N 1.84 3.97 0.02 -0.72 8.01 -1.26 -4.94 118.70 125.62 1lrq s GLU 2262Ca 0.78 1.98 -0.30 0.00 0.01 0.00 0.00 54.97 57.44 1lrq s GLU 2262Cb -0.50 -2.68 -0.07 0.00 -4.31 0.00 0.00 34.13 26.57 1lrq s GLU 2262CO 0.35 -0.43 1.69 0.99 0.01 0.00 0.00 175.26 177.86 1lrq s THR 2263N -1.35 3.23 0.00 3.63 2.01 -1.26 -5.15 115.64 116.74 1lrq s THR 2263Ca 0.58 0.51 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1lrq s THR 2263Cb -0.34 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1lrq s THR 2263CO 0.43 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.34