#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcx s PHE 2004N 0.00 3.01 -0.14 5.58 2.19 -1.24 -4.76 117.98 122.63 1jcx s PHE 2004Ca 0.00 1.42 -0.06 0.00 0.33 0.00 0.00 56.93 58.62 1jcx s PHE 2004Cb 0.00 -3.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.00 1jcx s PHE 2004CO 0.00 -1.88 0.07 -1.17 1.83 0.00 0.00 175.22 174.07 1jcx s LEU 2005N -1.92 3.95 -0.26 6.12 2.96 -0.60 -0.68 118.68 128.25 1jcx s LEU 2005Ca 0.50 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1jcx s LEU 2005Cb -0.39 -1.96 0.08 0.00 0.50 0.00 0.00 46.19 44.41 1jcx s LEU 2005CO 0.52 0.31 0.02 -0.69 -1.32 0.00 0.00 176.35 175.18 1jcx s VAL 2006N -0.43 1.26 -0.30 1.68 1.01 -0.40 -0.66 120.40 122.56 1jcx s VAL 2006Ca 0.10 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 1jcx s VAL 2006Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1jcx s VAL 2006CO 0.02 -0.33 0.20 -0.63 0.00 0.00 0.00 175.10 174.36 1jcx s ILE 2007N 1.48 5.28 0.10 2.22 1.01 0.00 -1.38 121.20 129.92 1jcx s ILE 2007Ca 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1jcx s ILE 2007Cb -0.18 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1jcx s ILE 2007CO -0.12 0.18 0.25 0.00 0.00 0.00 0.00 174.94 175.25 1jcx s ALA 2008N 1.75 -0.41 0.00 9.38 0.00 -0.67 -0.33 121.76 131.48 1jcx s ALA 2008Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1jcx s ALA 2008Cb -0.16 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1jcx s ALA 2008CO 0.11 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1jcx n GLY 2009N -0.11 1.16 3.77 0.00 0.00 -1.16 -0.95 105.19 107.90 1jcx n GLY 2009Ca -0.15 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 1jcx n GLY 2009CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jcx s PRO 2010N -1.92 4.07 0.14 1.61 0.04 -1.04 -1.20 135.00 136.69 1jcx s PRO 2010Ca 0.00 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 1jcx s PRO 2010Cb 0.00 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1jcx s PRO 2010CO 0.00 -0.30 1.58 0.00 0.04 0.00 0.00 177.00 178.32 1jcx s ALA 2012N -5.87 2.50 -1.14 0.00 0.00 -1.26 -1.26 121.76 114.74 1jcx s ALA 2012Ca -0.15 -1.45 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 1jcx s ALA 2012Cb 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1jcx s ALA 2012CO 0.64 0.54 1.73 0.42 0.00 0.00 0.00 175.76 179.10 1jcx s ILE 2013N -1.16 3.84 0.24 0.00 1.01 -0.32 -4.72 121.20 120.09 1jcx s ILE 2013Ca 0.16 -1.15 0.31 0.00 0.00 0.00 0.00 60.65 59.98 1jcx s ILE 2013Cb -0.10 -4.84 0.34 0.00 0.01 0.00 0.00 42.46 37.87 1jcx s ILE 2013CO 0.08 -1.61 2.01 -0.33 0.00 0.00 0.00 174.94 175.09 1jcx h GLU 2014N 9.22 0.00 0.00 2.79 5.08 -1.96 -3.41 114.58 126.31 1jcx h GLU 2014Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1jcx h GLU 2014Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1jcx h GLU 2014CO 1.36 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 178.32 1jcx n SER 2015N -3.27 0.00 0.24 1.42 3.41 -1.26 -4.97 113.62 109.19 1jcx n SER 2015Ca -0.00 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.77 1jcx n SER 2015Cb 0.29 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 65.08 1jcx n SER 2015CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1jcx h GLU 2016N 0.00 0.00 -0.14 4.33 4.11 -1.92 -0.85 114.58 120.11 1jcx h GLU 2016Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1jcx h GLU 2016Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jcx h GLU 2016CO 0.00 0.00 0.06 1.49 0.07 0.00 0.00 179.01 180.63 1jcx h GLU 2017N 0.00 0.21 -0.69 1.06 4.81 -1.98 -0.77 114.58 117.22 1jcx h GLU 2017Ca 0.00 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1jcx h GLU 2017Cb 0.13 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1jcx h GLU 2017CO 0.00 0.30 0.16 1.25 -0.73 0.00 0.00 179.01 179.99 1jcx h LEU 2018N 0.07 1.05 -0.72 1.64 5.85 -1.54 -2.89 115.31 118.76 1jcx h LEU 2018Ca 0.05 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1jcx h LEU 2018Cb 0.17 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1jcx h LEU 2018CO -0.00 1.01 0.35 -0.07 -0.34 0.00 0.00 178.44 179.38 1jcx h LEU 2019N 1.05 0.95 -0.72 2.25 3.38 -1.18 -2.31 115.31 118.72 1jcx h LEU 2019Ca 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1jcx h LEU 2019Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1jcx h LEU 2019CO 0.00 0.82 0.32 -0.07 0.09 0.00 0.00 178.44 179.60 1jcx h LEU 2020N 1.01 0.96 -0.21 1.67 3.38 -0.99 0.50 115.31 121.64 1jcx h LEU 2020Ca 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1jcx h LEU 2020Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jcx h LEU 2020CO -0.03 0.85 0.06 0.50 0.09 0.00 0.00 178.44 179.90 1jcx h LYS 2021N 1.02 0.33 -0.47 1.13 3.64 -1.31 0.03 116.57 120.94 1jcx h LYS 2021Ca 0.24 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1jcx h LYS 2021Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1jcx h LYS 2021CO -0.03 0.44 0.02 0.28 -2.27 0.00 0.00 179.45 177.89 1jcx h VAL 2022N 0.16 1.26 -0.16 2.00 2.07 -1.24 -2.52 116.25 117.83 1jcx h VAL 2022Ca 0.07 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.57 1jcx h VAL 2022Cb 0.25 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1jcx h VAL 2022CO -0.00 0.36 0.10 1.23 0.02 0.00 0.00 177.57 179.28 1jcx h GLY 2023N 0.68 0.18 0.92 2.17 0.00 0.21 -0.43 103.07 106.80 1jcx h GLY 2023Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1jcx h GLY 2023CO 0.02 0.06 0.02 -2.09 0.00 0.00 0.00 176.54 174.55 1jcx h GLU 2024N 0.17 0.62 -0.20 4.80 4.81 -0.56 0.33 114.58 124.55 1jcx h GLU 2024Ca 0.06 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1jcx h GLU 2024Cb 0.04 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1jcx h GLU 2024CO -0.01 0.72 -0.13 1.49 -0.73 0.00 0.00 179.01 180.35 1jcx h GLU 2025N 0.44 0.44 -0.24 1.92 4.57 -1.16 -1.88 114.58 118.68 1jcx h GLU 2025Ca 0.10 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1jcx h GLU 2025Cb 0.43 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1jcx h GLU 2025CO 0.01 0.75 0.06 0.82 -1.18 0.00 0.00 179.01 179.47 1jcx h ILE 2026N 0.13 1.12 -0.53 2.32 2.04 -1.05 -0.62 117.51 120.92 1jcx h ILE 2026Ca 0.04 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1jcx h ILE 2026Cb 0.64 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1jcx h ILE 2026CO 0.04 0.15 -0.09 0.50 0.00 0.00 0.00 178.15 178.75 1jcx h LYS 2027N 0.34 1.00 -0.63 2.37 1.63 -0.71 -1.12 116.57 119.45 1jcx h LYS 2027Ca 0.08 -0.36 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 1jcx h LYS 2027Cb 0.14 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1jcx h LYS 2027CO -0.00 1.04 0.24 -0.09 -3.45 0.00 0.00 179.45 177.19 1jcx h ARG 2028N 0.87 0.94 -0.55 1.90 2.43 -0.37 -2.28 114.38 117.31 1jcx h ARG 2028Ca 0.14 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 1jcx h ARG 2028Cb 0.65 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1jcx h ARG 2028CO 0.04 0.80 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.15 1jcx h LEU 2029N 0.88 1.03 -1.93 3.80 -0.00 -1.01 -1.60 115.31 116.48 1jcx h LEU 2029Ca 0.21 -0.33 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 1jcx h LEU 2029Cb 0.22 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1jcx h LEU 2029CO -0.02 1.13 -0.08 0.77 -0.00 0.00 0.00 178.44 180.25 1jcx h SER 2030N 0.92 0.00 0.78 -0.43 4.64 -0.95 0.51 113.55 119.02 1jcx h SER 2030Ca 0.15 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.23 1jcx h SER 2030Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 1jcx h SER 2030CO 0.05 0.08 -1.09 -0.33 -0.87 0.00 0.00 176.83 174.66 1jcx h GLU 2031N 0.00 0.15 0.11 4.77 4.39 -1.00 -3.32 114.58 119.68 1jcx h GLU 2031Ca -0.00 -0.24 -0.29 0.00 0.34 0.00 0.00 59.36 59.18 1jcx h GLU 2031Cb 0.14 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1jcx h GLU 2031CO 0.01 1.09 -1.21 -0.22 -1.16 0.00 0.00 179.01 177.52 1jcx h LYS 2032N 0.05 0.55 -3.37 2.33 3.64 -0.19 -3.39 116.57 116.19 1jcx h LYS 2032Ca -0.07 -0.73 -0.70 0.00 -1.27 0.00 0.00 60.65 57.88 1jcx h LYS 2032Cb 1.82 0.24 -0.36 0.00 -0.41 0.00 0.00 32.23 33.53 1jcx h LYS 2032CO 0.16 1.32 -0.18 -0.06 -2.27 0.00 0.00 179.45 178.43 1jcx s PHE 2033N -2.98 3.77 0.29 1.91 0.40 0.17 -4.91 117.98 116.62 1jcx s PHE 2033Ca -0.08 -2.96 0.36 0.00 -0.60 0.00 0.00 56.93 53.65 1jcx s PHE 2033Cb 0.06 -3.21 1.66 0.00 0.51 0.00 0.00 43.02 42.04 1jcx s PHE 2033CO 0.92 -0.75 2.10 0.87 0.70 0.00 0.00 175.22 179.05 1jcx h LYS 2034N 6.23 0.00 -0.30 0.44 1.79 -1.77 -2.46 116.57 120.51 1jcx h LYS 2034Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1jcx h LYS 2034Cb 0.84 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1jcx h LYS 2034CO 0.81 0.02 0.00 -0.85 -1.08 0.00 0.00 179.45 178.35 1jcx n GLU 2035N -3.15 1.69 -5.18 3.15 -0.00 -1.26 -4.80 120.64 111.09 1jcx n GLU 2035Ca -0.01 -1.08 -0.31 0.00 -0.00 0.00 0.00 57.16 55.77 1jcx n GLU 2035Cb 0.24 -1.23 -0.16 0.00 -0.00 0.00 0.00 31.44 30.28 1jcx n GLU 2035CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1jcx s VAL 2036N -1.60 1.94 -0.39 3.84 1.01 -0.93 -3.65 120.40 120.63 1jcx s VAL 2036Ca 0.20 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1jcx s VAL 2036Cb 0.10 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1jcx s VAL 2036CO 0.14 0.54 0.46 -0.70 0.00 0.00 0.00 175.10 175.54 1jcx s GLU 2037N -0.08 3.37 0.03 2.72 2.12 0.15 -4.97 118.70 122.04 1jcx s GLU 2037Ca -0.05 -0.47 -0.16 0.00 0.36 0.00 0.00 54.97 54.65 1jcx s GLU 2037Cb -0.14 -3.88 -0.06 0.00 0.26 0.00 0.00 34.13 30.31 1jcx s GLU 2037CO 0.04 -0.74 0.46 -0.06 -0.54 0.00 0.00 175.26 174.42 1jcx s PHE 2038N 2.26 3.74 -0.09 5.30 0.40 -1.26 -1.28 117.98 127.06 1jcx s PHE 2038Ca 0.15 1.07 0.01 0.00 -0.60 0.00 0.00 56.93 57.56 1jcx s PHE 2038Cb -0.16 -2.35 0.02 0.00 0.51 0.00 0.00 43.02 41.04 1jcx s PHE 2038CO 0.14 0.62 -0.09 0.08 0.70 0.00 0.00 175.22 176.66 1jcx s VAL 2039N -1.11 1.04 -0.05 -0.44 1.01 -0.48 -4.17 120.40 116.20 1jcx s VAL 2039Ca 0.26 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 1jcx s VAL 2039Cb -0.17 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1jcx s VAL 2039CO 0.15 0.35 0.91 0.12 0.00 0.00 0.00 175.10 176.64 1jcx s PHE 2040N 1.25 3.60 0.00 5.22 5.36 -0.06 -1.66 117.98 131.69 1jcx s PHE 2040Ca -0.04 1.54 0.06 0.00 -0.96 0.00 0.00 56.93 57.54 1jcx s PHE 2040Cb -0.14 -3.05 -0.02 0.00 -0.34 0.00 0.00 43.02 39.47 1jcx s PHE 2040CO -0.03 -0.04 -0.20 0.21 -1.46 0.00 0.00 175.22 173.70 1jcx s LYS 2041N 1.23 1.51 -0.29 10.12 2.36 -0.13 -1.17 119.74 133.38 1jcx s LYS 2041Ca 0.47 -0.77 -0.25 0.00 -2.55 0.00 0.00 55.97 52.87 1jcx s LYS 2041Cb -0.19 -1.51 0.14 0.00 -1.05 0.00 0.00 37.83 35.21 1jcx s LYS 2041CO 0.23 0.40 1.11 0.45 1.55 0.00 0.00 175.35 179.09 1jcx s SER 2042N -0.70 -0.38 -0.08 1.43 0.15 -1.16 -3.46 113.70 109.51 1jcx s SER 2042Ca 0.07 0.73 -0.17 0.00 0.70 0.00 0.00 55.95 57.28 1jcx s SER 2042Cb -0.08 0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 64.93 1jcx s SER 2042CO 0.00 -0.13 0.46 -0.44 1.20 0.00 0.00 173.24 174.34 1jcx s SER 2043N 0.21 6.72 0.00 5.45 0.01 -0.39 -4.51 113.70 121.20 1jcx s SER 2043Ca 0.04 0.86 0.28 0.00 1.31 0.00 0.00 55.95 58.43 1jcx s SER 2043Cb -0.05 -2.28 1.01 0.00 0.21 0.00 0.00 66.02 64.91 1jcx s SER 2043CO -0.08 0.09 1.76 2.22 0.41 0.00 0.00 173.24 177.63 1jcx n PHE 2044N 3.17 0.00 -3.64 2.43 1.16 -1.26 -1.17 117.46 118.15 1jcx n PHE 2044Ca -0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.42 1jcx n PHE 2044Cb 0.52 -0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 37.95 1jcx n PHE 2044CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1jcx s ASP 2045N -2.92 -0.86 -0.92 5.98 2.15 -1.26 -3.47 116.67 115.37 1jcx s ASP 2045Ca 0.15 1.41 -0.14 0.00 0.43 0.00 0.00 52.55 54.40 1jcx s ASP 2045Cb 0.19 1.36 0.21 0.00 -0.30 0.00 0.00 42.92 44.38 1jcx s ASP 2045CO 0.58 -0.22 0.95 -0.54 -0.17 0.00 0.00 175.17 175.76 1jcx s LYS 2046N 1.42 3.74 0.00 4.34 -0.14 0.20 -4.87 119.74 124.42 1jcx s LYS 2046Ca -0.08 -2.44 0.27 0.00 -1.36 0.00 0.00 55.97 52.36 1jcx s LYS 2046Cb -0.05 -4.60 1.37 0.00 -1.68 0.00 0.00 37.83 32.87 1jcx s LYS 2046CO -0.17 -1.42 1.93 0.00 -0.76 0.00 0.00 175.35 174.93 1jcx n ALA 2047N 4.46 2.35 -1.99 5.17 0.00 -1.26 -3.91 120.51 125.34 1jcx n ALA 2047Ca 0.19 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1jcx n ALA 2047Cb 0.46 -1.44 0.12 0.00 0.00 0.00 0.00 19.45 18.59 1jcx n ALA 2047CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jcx n ASN 2048N -1.29 1.98 -4.73 0.00 2.04 -1.26 -5.08 115.26 106.92 1jcx n ASN 2048Ca 0.13 -3.25 -0.36 0.00 -0.44 0.00 0.00 54.58 50.66 1jcx n ASN 2048Cb 0.22 -0.44 0.07 0.00 -2.53 0.00 0.00 39.78 37.10 1jcx n ASN 2048CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1jcx s ARG 2049N -2.48 2.51 0.10 -3.83 1.81 -1.25 -4.92 118.95 110.88 1jcx s ARG 2049Ca 0.38 1.90 -0.16 0.00 -1.72 0.00 0.00 55.73 56.14 1jcx s ARG 2049Cb 0.38 -1.86 -0.07 0.00 -0.45 0.00 0.00 34.95 32.95 1jcx s ARG 2049CO -0.08 -1.58 1.48 0.77 -0.68 0.00 0.00 175.30 175.20 1jcx h SER 2050N 0.34 0.66 -2.71 0.23 0.02 -1.98 -3.44 113.55 106.67 1jcx h SER 2050Ca -0.50 -0.40 -0.66 0.00 -0.84 0.00 0.00 61.79 59.40 1jcx h SER 2050Cb 1.31 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.61 1jcx h SER 2050CO 0.52 0.91 -0.43 -0.55 -1.14 0.00 0.00 176.83 176.14 1jcx s SER 2051N -6.32 6.46 0.54 3.07 0.15 -1.26 -4.97 113.70 111.37 1jcx s SER 2051Ca -0.13 0.54 0.32 0.00 0.70 0.00 0.00 55.95 57.39 1jcx s SER 2051Cb 0.09 -2.10 1.45 0.00 -1.71 0.00 0.00 66.02 63.75 1jcx s SER 2051CO 0.80 0.38 2.03 -0.29 1.20 0.00 0.00 173.24 177.36 1jcx h ILE 2052N 3.85 0.22 -0.38 6.45 6.09 -2.03 -2.69 117.51 129.02 1jcx h ILE 2052Ca -0.54 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 1jcx h ILE 2052Cb 1.23 1.46 0.00 0.00 0.47 0.00 0.00 36.82 39.97 1jcx h ILE 2052CO 0.59 0.07 0.00 1.41 -3.07 0.00 0.00 178.15 177.15 1jcx n HIS 2053N -3.26 0.50 -2.78 2.19 8.25 -1.26 -4.93 115.22 113.93 1jcx n HIS 2053Ca -0.00 -0.25 -0.26 0.00 -0.26 0.00 0.00 57.72 56.94 1jcx n HIS 2053Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1jcx n HIS 2053CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1jcx s SER 2054N -1.06 6.15 0.11 0.41 0.01 -1.02 -5.03 113.70 113.27 1jcx s SER 2054Ca 0.27 0.75 -0.31 0.00 1.31 0.00 0.00 55.95 57.98 1jcx s SER 2054Cb 0.14 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 64.20 1jcx s SER 2054CO 0.19 -0.59 1.62 0.12 0.41 0.00 0.00 173.24 174.99 1jcx s PHE 2055N -2.68 2.70 -0.16 2.43 5.36 -1.26 -4.91 117.98 119.46 1jcx s PHE 2055Ca 0.47 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 1jcx s PHE 2055Cb -0.10 -3.95 -0.10 0.00 -0.34 0.00 0.00 43.02 38.52 1jcx s PHE 2055CO 0.43 -3.69 -0.15 0.54 -1.46 0.00 0.00 175.22 170.89 1jcx n ARG 2056N 4.86 0.40 -0.03 10.12 1.74 -1.26 -4.71 116.66 127.79 1jcx n ARG 2056Ca 0.15 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1jcx n ARG 2056Cb 0.40 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1jcx n ARG 2056CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jcx n GLY 2057N 2.65 0.98 0.94 -0.13 0.00 -1.26 -0.63 105.19 107.74 1jcx n GLY 2057Ca -0.29 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 43.92 1jcx n GLY 2057CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jcx n HIS 2058N 9.00 0.47 0.00 1.61 8.25 -1.26 -5.05 115.22 128.25 1jcx n HIS 2058Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1jcx n HIS 2058Cb 0.00 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1jcx n HIS 2058CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jcx n GLY 2059N 1.13 1.94 0.22 -1.41 0.00 -1.23 -4.44 105.19 101.41 1jcx n GLY 2059Ca 0.16 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 1jcx n GLY 2059CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jcx h LEU 2060N 0.00 0.67 0.46 0.99 5.85 -1.99 -1.96 115.31 119.33 1jcx h LEU 2060Ca 0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1jcx h LEU 2060Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1jcx h LEU 2060CO 0.00 0.73 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.28 1jcx h GLU 2061N 0.58 -0.59 -0.64 1.25 5.08 -1.96 0.17 114.58 118.46 1jcx h GLU 2061Ca 0.14 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1jcx h GLU 2061Cb 0.32 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1jcx h GLU 2061CO 0.00 -0.39 0.42 -0.92 -1.00 0.00 0.00 179.01 177.13 1jcx h TYR 2062N -0.63 0.76 -0.03 4.33 3.20 -1.77 -1.64 116.97 121.18 1jcx h TYR 2062Ca -0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1jcx h TYR 2062Cb 0.48 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1jcx h TYR 2062CO -0.04 0.45 -0.01 0.78 -1.64 0.00 0.00 178.16 177.70 1jcx h GLY 2063N 0.79 0.07 1.41 1.82 0.00 -1.05 -1.84 103.07 104.26 1jcx h GLY 2063Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1jcx h GLY 2063CO -0.07 0.05 0.31 -2.08 0.00 0.00 0.00 176.54 174.76 1jcx h VAL 2064N -0.34 1.18 -0.14 4.60 2.07 -0.79 -1.14 116.25 121.69 1jcx h VAL 2064Ca 0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1jcx h VAL 2064Cb 0.44 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1jcx h VAL 2064CO 0.00 0.19 0.07 0.50 0.02 0.00 0.00 177.57 178.36 1jcx h LYS 2065N 0.79 0.19 -0.24 1.57 3.64 -1.23 -1.24 116.57 120.05 1jcx h LYS 2065Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1jcx h LYS 2065Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1jcx h LYS 2065CO -0.03 0.23 0.12 0.00 -2.27 0.00 0.00 179.45 177.50 1jcx h ALA 2066N 0.95 0.31 -0.17 5.00 0.00 -0.79 -2.24 119.26 122.32 1jcx h ALA 2066Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jcx h ALA 2066Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jcx h ALA 2066CO -0.01 -0.14 0.10 -0.07 0.00 0.00 0.00 179.25 179.13 1jcx h LEU 2067N 0.27 0.20 -0.27 0.00 3.38 -1.14 -1.29 115.31 116.47 1jcx h LEU 2067Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1jcx h LEU 2067Cb 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jcx h LEU 2067CO -0.01 0.16 0.12 0.03 0.09 0.00 0.00 178.44 178.84 1jcx h ARG 2068N 0.23 0.39 -0.48 1.13 2.47 -0.66 -1.83 114.38 115.63 1jcx h ARG 2068Ca 0.06 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1jcx h ARG 2068Cb 0.01 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 1jcx h ARG 2068CO -0.01 0.40 0.32 -0.22 0.56 0.00 0.00 179.97 181.01 1jcx h LYS 2069N 0.30 0.64 -0.09 0.04 1.63 -0.71 -0.65 116.57 117.72 1jcx h LYS 2069Ca 0.09 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1jcx h LYS 2069Cb 0.14 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1jcx h LYS 2069CO -0.01 0.42 -0.10 0.28 -3.45 0.00 0.00 179.45 176.59 1jcx h VAL 2070N 0.65 1.37 -0.57 2.00 2.07 -1.06 -0.66 116.25 120.05 1jcx h VAL 2070Ca 0.18 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1jcx h VAL 2070Cb -0.07 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1jcx h VAL 2070CO -0.04 0.36 0.07 0.50 0.02 0.00 0.00 177.57 178.48 1jcx h LYS 2071N -0.19 0.93 -0.09 1.57 3.64 -1.02 -0.37 116.57 121.04 1jcx h LYS 2071Ca 0.01 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 58.98 1jcx h LYS 2071Cb 0.63 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1jcx h LYS 2071CO 0.02 0.88 -0.61 0.93 -2.27 0.00 0.00 179.45 178.40 1jcx h GLU 2072N 0.88 0.58 0.00 1.90 5.08 -1.15 0.27 114.58 122.14 1jcx h GLU 2072Ca 0.18 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1jcx h GLU 2072Cb 0.42 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jcx h GLU 2072CO 0.01 1.12 -0.00 1.49 -1.00 0.00 0.00 179.01 180.64 1jcx h GLU 2073N 0.20 0.00 0.00 2.33 4.81 -1.07 -3.37 114.58 117.48 1jcx h GLU 2073Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1jcx h GLU 2073Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1jcx h GLU 2073CO 0.13 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.60 1jcx n PHE 2074N -3.10 0.00 -1.92 0.92 3.72 -0.15 -5.02 117.46 111.91 1jcx n PHE 2074Ca 0.04 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.29 1jcx n PHE 2074Cb 0.50 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1jcx n PHE 2074CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jcx n GLY 2075N 0.60 0.51 3.85 1.37 0.00 0.96 -4.99 105.19 107.48 1jcx n GLY 2075Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1jcx n GLY 2075CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcx s LEU 2076N -3.87 4.37 0.73 0.99 1.43 -1.25 -5.04 118.68 116.04 1jcx s LEU 2076Ca 0.00 0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 1jcx s LEU 2076Cb 0.00 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.24 1jcx s LEU 2076CO 0.00 0.18 1.13 -0.54 0.23 0.00 0.00 176.35 177.35 1jcx s LYS 2077N -1.76 2.30 0.11 1.70 1.02 -1.26 -4.43 119.74 117.43 1jcx s LYS 2077Ca 0.33 1.44 0.08 0.00 0.02 0.00 0.00 55.97 57.85 1jcx s LYS 2077Cb -0.15 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1jcx s LYS 2077CO 0.18 -1.65 -0.21 0.42 -0.92 0.00 0.00 175.35 173.17 1jcx s ILE 2078N -2.43 1.73 -0.11 2.17 -1.09 -1.26 -0.88 121.20 119.33 1jcx s ILE 2078Ca 0.67 -1.58 -0.13 0.00 -2.23 0.00 0.00 60.65 57.38 1jcx s ILE 2078Cb -0.22 -1.59 0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1jcx s ILE 2078CO 0.48 -0.08 0.35 0.28 -1.23 0.00 0.00 174.94 174.74 1jcx s THR 2079N -1.24 0.01 0.16 2.92 -1.32 -0.31 0.68 115.64 116.54 1jcx s THR 2079Ca 0.07 -0.08 -0.19 0.00 -1.21 0.00 0.00 61.69 60.28 1jcx s THR 2079Cb -0.10 -0.52 0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1jcx s THR 2079CO 0.04 -0.05 0.51 0.28 -2.21 0.00 0.00 174.62 173.20 1jcx s THR 2080N -0.09 0.03 0.06 5.08 -1.32 -1.22 -2.97 115.64 115.21 1jcx s THR 2080Ca -0.02 -0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 60.00 1jcx s THR 2080Cb -0.03 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.66 1jcx s THR 2080CO 0.01 -0.14 0.22 1.51 -2.21 0.00 0.00 174.62 174.01 1jcx s ASP 2081N -2.81 6.38 0.21 8.08 -4.77 -1.26 -1.15 116.67 121.35 1jcx s ASP 2081Ca 0.04 0.31 0.08 0.00 -3.30 0.00 0.00 52.55 49.69 1jcx s ASP 2081Cb -0.00 -1.98 -0.04 0.00 -1.09 0.00 0.00 42.92 39.81 1jcx s ASP 2081CO -0.09 0.18 0.01 0.27 0.70 0.00 0.00 175.17 176.24 1jcx s ILE 2082N -1.49 3.68 0.00 2.11 -4.36 -0.77 -4.79 121.20 115.58 1jcx s ILE 2082Ca 0.34 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1jcx s ILE 2082Cb -0.13 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.68 1jcx s ILE 2082CO 0.26 -0.22 0.00 1.41 0.24 0.00 0.00 174.94 176.63 1jcx n HIS 2083N -0.48 0.00 -3.91 1.37 8.25 -1.26 -4.34 115.22 114.85 1jcx n HIS 2083Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 1jcx n HIS 2083Cb 0.57 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.57 1jcx n HIS 2083CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jcx s GLU 2084N -1.67 0.37 0.37 -0.41 2.02 -1.26 -5.07 118.70 113.05 1jcx s GLU 2084Ca 0.00 -0.43 0.16 0.00 0.02 0.00 0.00 54.97 54.71 1jcx s GLU 2084Cb 0.00 0.15 1.06 0.00 0.10 0.00 0.00 34.13 35.43 1jcx s GLU 2084CO 0.00 -0.08 1.73 0.77 0.02 0.00 0.00 175.26 177.70 1jcx h SER 2085N 4.62 0.52 0.52 -0.19 0.02 -1.90 -1.50 113.55 115.63 1jcx h SER 2085Ca -0.31 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1jcx h SER 2085Cb 1.20 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1jcx h SER 2085CO 0.41 0.04 -0.05 4.11 -1.14 0.00 0.00 176.83 180.20 1jcx h TRP 2086N 0.42 0.00 0.00 3.45 5.08 -1.97 -2.87 115.95 120.07 1jcx h TRP 2086Ca 0.65 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.62 1jcx h TRP 2086Cb 1.52 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.68 1jcx h TRP 2086CO -0.00 0.05 0.00 1.96 -1.28 0.00 0.00 178.44 179.17 1jcx h GLN 2087N 0.00 0.00 -0.03 0.12 4.20 -1.70 -3.35 115.11 114.34 1jcx h GLN 2087Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1jcx h GLN 2087Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1jcx h GLN 2087CO 0.01 0.00 -0.13 0.00 -0.67 0.00 0.00 178.83 178.03 1jcx h ALA 2088N 2.24 -0.13 0.57 3.87 0.00 -1.66 -2.24 119.26 121.91 1jcx h ALA 2088Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jcx h ALA 2088Cb 0.70 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jcx h ALA 2088CO 0.00 -0.62 -0.34 1.49 0.00 0.00 0.00 179.25 179.78 1jcx h GLU 2089N -0.21 -0.83 -0.81 0.00 4.81 -1.80 0.53 114.58 116.27 1jcx h GLU 2089Ca 0.06 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1jcx h GLU 2089Cb 0.29 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1jcx h GLU 2089CO -0.16 -0.55 0.50 -1.00 -0.73 0.00 0.00 179.01 177.06 1jcx h PRO 2090N -0.86 1.09 -0.44 0.92 0.13 -1.77 -2.44 132.00 128.62 1jcx h PRO 2090Ca -0.07 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.86 1jcx h PRO 2090Cb 0.70 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1jcx h PRO 2090CO 0.07 0.76 -0.18 0.28 -0.23 0.00 0.00 178.00 178.70 1jcx h VAL 2091N 1.11 1.27 0.00 1.56 2.07 -1.31 -2.81 116.25 118.14 1jcx h VAL 2091Ca 0.29 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1jcx h VAL 2091Cb -0.06 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1jcx h VAL 2091CO -0.06 0.44 0.00 0.00 0.02 0.00 0.00 177.57 177.98 1jcx h ALA 2092N 1.04 1.00 0.00 1.67 0.00 -0.38 -0.19 119.26 122.39 1jcx h ALA 2092Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jcx h ALA 2092Cb 0.71 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1jcx h ALA 2092CO 0.05 0.00 -0.29 0.93 0.00 0.00 0.00 179.25 179.95 1jcx h GLU 2093N 0.00 0.00 0.00 0.00 4.39 -1.44 -3.36 114.58 114.17 1jcx h GLU 2093Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1jcx h GLU 2093Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1jcx h GLU 2093CO 0.00 0.29 -1.19 0.28 -1.16 0.00 0.00 179.01 177.23 1jcx n VAL 2094N -4.09 0.19 -2.00 3.13 0.31 -0.61 -5.03 118.33 110.22 1jcx n VAL 2094Ca -0.02 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1jcx n VAL 2094Cb 0.34 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.25 1jcx n VAL 2094CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jcx s ALA 2095N -2.06 3.65 0.13 3.52 0.00 -0.18 -4.54 121.76 122.27 1jcx s ALA 2095Ca -0.05 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.04 1jcx s ALA 2095Cb 0.01 -3.69 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 1jcx s ALA 2095CO 0.07 -1.13 1.29 -0.44 0.00 0.00 0.00 175.76 175.55 1jcx h ASP 2096N 8.49 0.14 -3.33 0.00 3.32 -0.08 -3.43 116.42 121.53 1jcx h ASP 2096Ca -0.41 -0.14 -0.52 0.00 0.02 0.00 0.00 57.03 55.98 1jcx h ASP 2096Cb 1.19 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.35 1jcx h ASP 2096CO 0.93 1.06 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.07 1jcx s ILE 2097N -2.85 1.11 -0.21 0.35 1.01 -0.76 -2.55 121.20 117.31 1jcx s ILE 2097Ca -0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 1jcx s ILE 2097Cb 0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1jcx s ILE 2097CO 0.83 0.36 0.33 -0.63 0.00 0.00 0.00 174.94 175.84 1jcx s ILE 2098N 1.02 5.25 -0.09 2.92 1.01 0.29 -3.39 121.20 128.21 1jcx s ILE 2098Ca -0.08 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.00 1jcx s ILE 2098Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 1jcx s ILE 2098CO -0.01 0.28 0.34 -1.58 0.00 0.00 0.00 174.94 173.98 1jcx s GLN 2099N 1.18 4.04 -0.25 2.79 0.74 -0.30 -1.20 119.66 126.66 1jcx s GLN 2099Ca 0.16 0.24 -0.07 0.00 0.05 0.00 0.00 55.36 55.74 1jcx s GLN 2099Cb -0.14 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1jcx s GLN 2099CO 0.07 0.46 0.06 0.42 -0.55 0.00 0.00 175.29 175.75 1jcx s ILE 2100N -0.26 4.26 0.68 -2.34 -1.09 -0.13 -1.84 121.20 120.48 1jcx s ILE 2100Ca 0.20 -0.19 -0.17 0.00 -2.23 0.00 0.00 60.65 58.27 1jcx s ILE 2100Cb -0.15 -2.99 -0.01 0.00 -1.58 0.00 0.00 42.46 37.73 1jcx s ILE 2100CO 0.08 0.35 1.01 -2.65 -1.23 0.00 0.00 174.94 172.51 1jcx n PRO 2101N 4.88 0.70 -0.12 2.79 -0.02 -1.26 -1.44 135.00 140.53 1jcx n PRO 2101Ca -0.16 0.29 -0.05 0.00 -2.02 0.00 0.00 63.50 61.56 1jcx n PRO 2101Cb 0.51 -2.25 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1jcx n PRO 2101CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jcx h ALA 2102N 0.07 0.45 0.00 3.55 0.00 -1.90 -1.49 119.26 119.94 1jcx h ALA 2102Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jcx h ALA 2102Cb 1.34 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1jcx h ALA 2102CO 0.49 -0.29 0.00 0.74 0.00 0.00 0.00 179.25 180.19 1jcx h PHE 2103N 0.25 0.00 -0.56 0.00 0.04 -1.91 -2.87 116.94 111.88 1jcx h PHE 2103Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1jcx h PHE 2103Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1jcx h PHE 2103CO -0.17 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.82 1jcx n LEU 2104N -3.08 3.52 0.01 1.54 4.77 -0.59 -4.61 117.00 118.56 1jcx n LEU 2104Ca -0.01 -1.96 0.02 0.00 -0.03 0.00 0.00 56.01 54.02 1jcx n LEU 2104Cb 0.20 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1jcx n LEU 2104CO 0.24 0.87 0.55 0.00 -1.33 0.00 0.00 177.39 177.73 1jcx n ARG 2106N -1.54 1.14 -2.41 0.00 5.12 -1.26 -4.91 116.66 112.80 1jcx n ARG 2106Ca 0.01 -1.13 -0.39 0.00 -1.93 0.00 0.00 57.85 54.41 1jcx n ARG 2106Cb 0.03 -1.23 -0.03 0.00 -1.16 0.00 0.00 32.46 30.07 1jcx n ARG 2106CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1jcx s GLN 2107N -1.24 3.13 0.21 5.56 -1.52 -0.58 -4.89 119.66 120.33 1jcx s GLN 2107Ca 0.14 -0.34 -0.16 0.00 -1.95 0.00 0.00 55.36 53.04 1jcx s GLN 2107Cb 0.11 -4.65 0.21 0.00 -0.22 0.00 0.00 33.01 28.46 1jcx s GLN 2107CO 0.21 -2.41 1.60 1.15 -0.25 0.00 0.00 175.29 175.59 1jcx h THR 2108N 6.53 0.23 -0.14 -0.19 2.02 -1.91 -1.46 112.91 117.99 1jcx h THR 2108Ca -0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 1jcx h THR 2108Cb 1.05 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1jcx h THR 2108CO 1.30 0.00 -0.10 0.44 0.37 0.00 0.00 175.52 177.54 1jcx h ASP 2109N -0.07 0.20 -0.28 4.18 3.32 -1.99 -0.74 116.42 121.04 1jcx h ASP 2109Ca 0.29 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1jcx h ASP 2109Cb 0.54 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1jcx h ASP 2109CO -0.72 0.33 -0.16 0.25 -1.72 0.00 0.00 179.24 177.22 1jcx h LEU 2110N 0.21 0.63 -0.66 1.55 5.85 -1.66 -0.30 115.31 120.92 1jcx h LEU 2110Ca 0.05 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1jcx h LEU 2110Cb 0.31 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1jcx h LEU 2110CO 0.02 0.91 0.13 -0.07 -0.34 0.00 0.00 178.44 179.09 1jcx h LEU 2111N 0.34 1.02 -0.53 2.25 3.38 -1.10 -1.76 115.31 118.91 1jcx h LEU 2111Ca 0.06 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1jcx h LEU 2111Cb 0.69 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jcx h LEU 2111CO 0.05 1.01 -0.27 -0.07 0.09 0.00 0.00 178.44 179.25 1jcx h LEU 2112N 0.99 0.93 -1.00 1.67 3.38 -1.06 -1.22 115.31 119.02 1jcx h LEU 2112Ca 0.20 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1jcx h LEU 2112Cb 0.41 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1jcx h LEU 2112CO 0.01 1.14 0.15 0.00 0.09 0.00 0.00 178.44 179.83 1jcx h ALA 2113N 0.92 1.19 -0.15 1.53 0.00 -0.88 -0.84 119.26 121.04 1jcx h ALA 2113Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jcx h ALA 2113Cb 0.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jcx h ALA 2113CO 0.07 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.79 1jcx h ALA 2114N 1.32 0.21 -0.18 0.00 0.00 -1.11 -3.17 119.26 116.33 1jcx h ALA 2114Ca 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1jcx h ALA 2114Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jcx h ALA 2114CO -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 1jcx h ALA 2115N 0.65 1.67 0.00 0.00 0.00 -0.97 -2.68 119.26 117.93 1jcx h ALA 2115Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1jcx h ALA 2115Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jcx h ALA 2115CO 0.03 0.25 -0.14 -0.22 0.00 0.00 0.00 179.25 179.17 1jcx h LYS 2116N 0.25 0.00 0.00 0.00 3.64 -1.12 -2.74 116.57 116.60 1jcx h LYS 2116Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1jcx h LYS 2116Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1jcx h LYS 2116CO 0.00 0.14 0.00 0.25 -2.27 0.00 0.00 179.45 177.57 1jcx n THR 2117N -3.45 0.82 0.00 1.00 -2.24 -1.01 -4.87 114.28 104.53 1jcx n THR 2117Ca -0.01 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1jcx n THR 2117Cb 0.31 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1jcx n THR 2117CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jcx n GLY 2118N 0.10 2.26 3.76 3.38 0.00 -1.03 -5.03 105.19 108.64 1jcx n GLY 2118Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1jcx n GLY 2118CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jcx s ARG 2119N -0.34 0.69 0.52 1.61 1.81 -1.26 -4.91 118.95 117.07 1jcx s ARG 2119Ca 0.00 0.20 -0.17 0.00 -1.72 0.00 0.00 55.73 54.04 1jcx s ARG 2119Cb 0.00 -1.80 -0.07 0.00 -0.45 0.00 0.00 34.95 32.63 1jcx s ARG 2119CO 0.00 -2.49 1.00 0.00 -0.68 0.00 0.00 175.30 173.13 1jcx s ALA 2120N -3.26 2.99 -0.06 2.13 0.00 -1.06 -4.75 121.76 117.75 1jcx s ALA 2120Ca 0.66 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.91 1jcx s ALA 2120Cb -0.14 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1jcx s ALA 2120CO 0.54 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.94 1jcx s VAL 2121N -2.52 1.09 -0.26 0.00 1.01 -0.58 -0.55 120.40 118.60 1jcx s VAL 2121Ca 0.61 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1jcx s VAL 2121Cb -0.11 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1jcx s VAL 2121CO 0.30 0.34 -0.08 0.21 0.00 0.00 0.00 175.10 175.87 1jcx s ASN 2122N 0.52 4.37 -0.24 3.32 3.04 -0.34 -0.52 114.94 125.08 1jcx s ASN 2122Ca -0.11 -1.16 -0.11 0.00 0.04 0.00 0.00 52.86 51.51 1jcx s ASN 2122Cb -0.14 -1.61 -0.05 0.00 -1.54 0.00 0.00 41.25 37.91 1jcx s ASN 2122CO 0.03 -0.17 0.20 -0.69 -3.04 0.00 0.00 177.10 173.43 1jcx s VAL 2123N 1.21 5.32 -0.08 -5.21 1.01 -0.09 -0.95 120.40 121.61 1jcx s VAL 2123Ca -0.04 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1jcx s VAL 2123Cb -0.18 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1jcx s VAL 2123CO -0.05 0.31 1.16 -0.54 0.00 0.00 0.00 175.10 175.98 1jcx s LYS 2124N 1.26 4.35 -0.06 2.72 -0.14 -0.52 -0.81 119.74 126.53 1jcx s LYS 2124Ca 0.09 1.60 -0.30 0.00 -1.36 0.00 0.00 55.97 56.01 1jcx s LYS 2124Cb -0.14 -3.57 -0.05 0.00 -1.68 0.00 0.00 37.83 32.39 1jcx s LYS 2124CO 0.06 -0.45 1.55 0.21 -0.76 0.00 0.00 175.35 175.96 1jcx s LYS 2125N 2.31 4.20 0.49 1.68 2.20 -0.02 -3.98 119.74 126.62 1jcx s LYS 2125Ca 0.54 2.07 -0.22 0.00 -0.36 0.00 0.00 55.97 57.99 1jcx s LYS 2125Cb -0.23 -3.87 -0.08 0.00 -1.51 0.00 0.00 37.83 32.14 1jcx s LYS 2125CO 0.20 -0.78 1.04 0.41 -0.36 0.00 0.00 175.35 175.86 1jcx n GLY 2126N 3.96 -0.12 0.02 5.54 0.00 -1.24 -4.56 105.19 108.80 1jcx n GLY 2126Ca 0.16 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1jcx n GLY 2126CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jcx n GLN 2127N -0.31 0.03 0.00 1.61 3.00 -1.26 -1.59 117.38 118.86 1jcx n GLN 2127Ca 0.10 0.39 0.09 0.00 -0.01 0.00 0.00 57.00 57.57 1jcx n GLN 2127Cb 0.42 -1.56 -0.06 0.00 0.00 0.00 0.00 30.24 29.04 1jcx n GLN 2127CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1jcx n PHE 2128N -1.61 0.00 -3.35 1.08 1.16 -1.26 -1.14 117.46 112.34 1jcx n PHE 2128Ca 0.02 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.21 1jcx n PHE 2128Cb 0.10 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.91 1jcx n PHE 2128CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1jcx s LEU 2129N -2.63 4.45 0.40 5.98 2.96 -0.62 -5.06 118.68 124.16 1jcx s LEU 2129Ca 0.11 1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 54.91 1jcx s LEU 2129Cb 0.15 -2.76 -0.10 0.00 0.50 0.00 0.00 46.19 43.98 1jcx s LEU 2129CO 0.65 0.22 0.86 0.00 -1.32 0.00 0.00 176.35 176.76 1jcx s ALA 2130N -0.64 3.17 0.22 5.97 0.00 -1.26 -4.88 121.76 124.33 1jcx s ALA 2130Ca 0.27 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 1jcx s ALA 2130Cb -0.18 -2.98 0.32 0.00 0.00 0.00 0.00 23.12 20.29 1jcx s ALA 2130CO 0.15 0.17 1.70 -1.35 0.00 0.00 0.00 175.76 176.42 1jcx h PRO 2131N 1.91 0.24 0.00 0.00 0.11 -1.98 -1.25 132.00 131.03 1jcx h PRO 2131Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jcx h PRO 2131Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jcx h PRO 2131CO 0.63 0.16 0.00 0.11 -0.21 0.00 0.00 178.00 178.68 1jcx h TRP 2132N 0.24 0.00 -0.08 0.65 0.09 -1.93 -2.68 115.95 112.24 1jcx h TRP 2132Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.31 1jcx h TRP 2132Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.75 1jcx h TRP 2132CO -0.27 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.01 1jcx n ASP 2133N -2.75 0.72 0.03 0.11 8.00 -0.47 -3.04 116.55 119.15 1jcx n ASP 2133Ca 0.00 -1.62 0.12 0.00 0.71 0.00 0.00 54.79 54.00 1jcx n ASP 2133Cb 0.22 -0.05 0.29 0.00 -0.02 0.00 0.00 41.12 41.56 1jcx n ASP 2133CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1jcx n THR 2134N -0.27 0.18 -0.24 -3.53 -2.24 -1.01 -3.81 114.28 103.36 1jcx n THR 2134Ca 0.13 -0.13 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1jcx n THR 2134Cb 0.17 -0.09 0.08 0.00 -2.10 0.00 0.00 70.33 68.39 1jcx n THR 2134CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jcx h LYS 2135N 0.00 0.82 -0.12 -0.78 3.64 -1.75 -1.47 116.57 116.91 1jcx h LYS 2135Ca 0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1jcx h LYS 2135Cb 0.61 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1jcx h LYS 2135CO 0.00 0.54 -0.30 -0.91 -2.27 0.00 0.00 179.45 176.52 1jcx h ASN 2136N 0.84 0.23 -0.28 4.20 -0.26 -1.82 -2.06 115.58 116.43 1jcx h ASN 2136Ca 0.28 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.94 1jcx h ASN 2136Cb 0.02 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1jcx h ASN 2136CO -0.11 0.52 0.15 0.58 -1.06 0.00 0.00 177.43 177.52 1jcx h VAL 2137N 0.20 1.13 -0.58 2.81 2.07 -1.45 -1.48 116.25 118.95 1jcx h VAL 2137Ca 0.03 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1jcx h VAL 2137Cb 0.63 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1jcx h VAL 2137CO 0.05 0.13 0.32 0.58 0.02 0.00 0.00 177.57 178.66 1jcx h VAL 2138N 0.34 1.19 -0.65 2.57 2.07 -1.12 -2.72 116.25 117.93 1jcx h VAL 2138Ca 0.10 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.19 1jcx h VAL 2138Cb 0.07 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1jcx h VAL 2138CO -0.02 0.20 0.37 -0.08 0.02 0.00 0.00 177.57 178.07 1jcx h GLU 2139N 0.78 0.68 -0.31 1.57 4.81 -1.05 -0.17 114.58 120.89 1jcx h GLU 2139Ca 0.20 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1jcx h GLU 2139Cb 0.04 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1jcx h GLU 2139CO -0.03 0.45 0.06 0.87 -0.73 0.00 0.00 179.01 179.63 1jcx h LYS 2140N 0.70 0.17 -0.43 1.92 1.57 -0.98 0.53 116.57 120.05 1jcx h LYS 2140Ca 0.28 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1jcx h LYS 2140Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1jcx h LYS 2140CO -0.16 0.11 0.26 -0.07 -0.57 0.00 0.00 179.45 179.02 1jcx h LEU 2141N 0.17 0.52 -0.63 2.94 3.38 -1.11 -0.17 115.31 120.41 1jcx h LEU 2141Ca 0.15 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jcx h LEU 2141Cb 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1jcx h LEU 2141CO -0.19 0.42 0.38 0.11 0.09 0.00 0.00 178.44 179.25 1jcx h LYS 2142N 0.57 0.85 -0.75 1.13 1.57 -0.67 -0.34 116.57 118.92 1jcx h LYS 2142Ca 0.15 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1jcx h LYS 2142Cb 0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 1jcx h LYS 2142CO -0.03 0.61 0.49 0.35 -0.57 0.00 0.00 179.45 180.30 1jcx h PHE 2143N 0.85 0.86 0.00 -1.35 3.57 -0.48 -1.11 116.94 119.27 1jcx h PHE 2143Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1jcx h PHE 2143Cb -0.03 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1jcx h PHE 2143CO -0.02 0.48 0.00 0.41 -2.23 0.00 0.00 178.31 176.96 1jcx n GLY 2144N -1.43 -1.05 0.00 2.40 0.00 -0.11 -4.89 105.19 100.10 1jcx n GLY 2144Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1jcx n GLY 2144CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcx n GLY 2145N 0.99 0.60 3.76 -0.02 0.00 -0.42 -3.86 105.19 106.24 1jcx n GLY 2145Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1jcx n GLY 2145CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcx s ALA 2146N -2.00 3.36 0.00 4.61 0.00 -0.27 -4.92 121.76 122.54 1jcx s ALA 2146Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1jcx s ALA 2146Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1jcx s ALA 2146CO 0.00 -0.23 0.00 1.63 0.00 0.00 0.00 175.76 177.16 1jcx n LYS 2147N 0.94 3.56 -3.57 0.00 5.02 -1.26 -4.25 118.16 118.61 1jcx n LYS 2147Ca -0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1jcx n LYS 2147Cb 0.45 -0.99 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 1jcx n LYS 2147CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1jcx s GLU 2148N -1.99 2.61 -0.07 1.97 2.12 -1.26 -5.07 118.70 117.02 1jcx s GLU 2148Ca 0.00 -1.53 0.05 0.00 0.36 0.00 0.00 54.97 53.85 1jcx s GLU 2148Cb 0.00 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.53 1jcx s GLU 2148CO 0.00 -1.03 -0.24 0.42 -0.54 0.00 0.00 175.26 173.88 1jcx s ILE 2149N 1.43 1.99 0.11 -3.70 1.01 -1.26 -1.53 121.20 119.25 1jcx s ILE 2149Ca 0.04 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.77 1jcx s ILE 2149Cb -0.24 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1jcx s ILE 2149CO 0.02 0.55 -0.23 -0.31 0.00 0.00 0.00 174.94 174.97 1jcx s TYR 2150N 0.04 1.96 -0.09 3.97 1.51 0.32 -2.87 117.35 122.19 1jcx s TYR 2150Ca -0.09 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1jcx s TYR 2150Cb -0.15 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1jcx s TYR 2150CO 0.05 0.25 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.06 1jcx s LEU 2151N -1.98 1.86 -0.19 -1.29 1.43 -0.48 -0.92 118.68 117.12 1jcx s LEU 2151Ca 0.09 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1jcx s LEU 2151Cb -0.10 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1jcx s LEU 2151CO 0.05 0.09 -0.06 -0.89 0.23 0.00 0.00 176.35 175.77 1jcx s THR 2152N 0.55 3.46 -0.11 5.49 2.01 0.01 -0.93 115.64 126.12 1jcx s THR 2152Ca -0.16 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 1jcx s THR 2152Cb -0.17 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1jcx s THR 2152CO 0.06 0.46 1.02 -0.70 -0.69 0.00 0.00 174.62 174.77 1jcx s GLU 2153N 0.96 4.41 -0.01 4.92 2.56 0.16 -0.84 118.70 130.87 1jcx s GLU 2153Ca -0.00 1.41 0.09 0.00 0.00 0.00 0.00 54.97 56.47 1jcx s GLU 2153Cb -0.15 -3.55 0.16 0.00 2.00 0.00 0.00 34.13 32.60 1jcx s GLU 2153CO 0.00 -0.34 1.07 2.89 -0.56 0.00 0.00 175.26 178.32 1jcx n ARG 2154N 5.09 0.10 0.00 4.30 -4.01 -1.26 -0.73 116.66 120.14 1jcx n ARG 2154Ca 0.09 -1.45 0.00 0.00 -1.04 0.00 0.00 57.85 55.45 1jcx n ARG 2154Cb 0.48 -0.41 0.00 0.00 -3.04 0.00 0.00 32.46 29.49 1jcx n ARG 2154CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1jcx n GLY 2155N 0.07 1.59 3.18 2.89 0.00 -1.26 -3.94 105.19 107.70 1jcx n GLY 2155Ca 0.03 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 1jcx n GLY 2155CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jcx s THR 2156N -2.97 1.27 0.04 2.61 2.01 0.44 -4.29 115.64 114.75 1jcx s THR 2156Ca 0.00 -1.08 -0.34 0.00 0.31 0.00 0.00 61.69 60.58 1jcx s THR 2156Cb 0.00 -1.14 -0.13 0.00 0.01 0.00 0.00 72.50 71.24 1jcx s THR 2156CO 0.00 0.04 1.73 0.41 -0.69 0.00 0.00 174.62 176.11 1jcx n THR 2157N 1.83 0.29 -3.62 -0.82 -1.04 -0.29 -1.42 114.28 109.21 1jcx n THR 2157Ca -0.18 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1jcx n THR 2157Cb 0.54 -1.72 -0.12 0.00 -1.82 0.00 0.00 70.33 67.21 1jcx n THR 2157CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1jcx s PHE 2158N 2.48 1.67 0.00 -1.42 5.36 -0.65 -4.85 117.98 120.56 1jcx s PHE 2158Ca 0.85 -2.28 0.00 0.00 -0.96 0.00 0.00 56.93 54.55 1jcx s PHE 2158Cb -0.68 -1.58 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 1jcx s PHE 2158CO 0.44 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.83 1jcx n GLY 2159N 3.47 -0.50 3.87 13.12 0.00 -1.26 -4.35 105.19 119.54 1jcx n GLY 2159Ca 0.13 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1jcx n GLY 2159CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jcx s TYR 2160N 0.00 3.63 -1.55 1.61 2.02 -1.26 -4.49 117.35 117.31 1jcx s TYR 2160Ca 0.00 0.71 -0.14 0.00 -0.37 0.00 0.00 57.07 57.27 1jcx s TYR 2160Cb 0.00 -2.08 0.09 0.00 -0.40 0.00 0.00 41.96 39.57 1jcx s TYR 2160CO 0.00 0.65 0.96 0.09 -1.57 0.00 0.00 175.55 175.68 1jcx n ASN 2161N 1.56 -4.61 -3.62 2.29 3.02 -1.26 -4.96 115.26 107.67 1jcx n ASN 2161Ca -0.14 -0.80 -0.15 0.00 -0.03 0.00 0.00 54.58 53.45 1jcx n ASN 2161Cb 0.53 -3.78 -0.07 0.00 -0.61 0.00 0.00 39.78 35.85 1jcx n ASN 2161CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jcx s ASN 2162N -3.33 -0.62 0.04 6.41 3.04 -1.26 -4.11 114.94 115.11 1jcx s ASN 2162Ca 0.66 1.00 0.07 0.00 0.04 0.00 0.00 52.86 54.63 1jcx s ASN 2162Cb -0.33 0.97 -0.02 0.00 -1.54 0.00 0.00 41.25 40.32 1jcx s ASN 2162CO 0.84 -0.37 -0.19 -0.76 -3.04 0.00 0.00 177.10 173.58 1jcx s LEU 2163N -0.31 2.16 0.10 3.21 1.43 -1.26 -1.64 118.68 122.38 1jcx s LEU 2163Ca -0.05 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1jcx s LEU 2163Cb -0.03 -0.88 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 1jcx s LEU 2163CO 0.04 0.13 -0.23 0.54 0.23 0.00 0.00 176.35 177.06 1jcx s VAL 2164N -0.80 1.93 -0.33 -1.59 0.11 -0.51 -4.85 120.40 114.37 1jcx s VAL 2164Ca 0.06 -1.55 -0.10 0.00 -2.93 0.00 0.00 61.98 57.46 1jcx s VAL 2164Cb -0.08 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.05 1jcx s VAL 2164CO 0.02 0.08 0.17 -0.69 -3.33 0.00 0.00 175.10 171.34 1jcx s VAL 2165N -1.03 4.60 -0.66 2.04 1.01 -1.26 -0.42 120.40 124.68 1jcx s VAL 2165Ca 0.10 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 1jcx s VAL 2165Cb -0.10 -3.41 0.11 0.00 0.00 0.00 0.00 36.38 32.98 1jcx s VAL 2165CO 0.04 -0.02 0.79 -0.62 0.00 0.00 0.00 175.10 175.29 1jcx s ASP 2166N 1.60 6.28 0.00 3.32 -1.08 -1.26 -4.90 116.67 120.63 1jcx s ASP 2166Ca 0.04 -1.56 0.04 0.00 -0.52 0.00 0.00 52.55 50.55 1jcx s ASP 2166Cb -0.18 -2.32 0.20 0.00 -1.46 0.00 0.00 42.92 39.17 1jcx s ASP 2166CO 0.06 -1.10 1.06 0.49 0.52 0.00 0.00 175.17 176.20 1jcx n PHE 2167N 6.32 0.00 0.30 -5.34 3.01 -1.26 -1.23 117.46 119.26 1jcx n PHE 2167Ca -0.03 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.62 1jcx n PHE 2167Cb 0.44 -0.40 0.84 0.00 -0.01 0.00 0.00 39.48 40.35 1jcx n PHE 2167CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jcx h ARG 2168N 0.00 0.00 0.00 -1.08 3.08 -2.03 -2.64 114.38 111.70 1jcx h ARG 2168Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1jcx h ARG 2168Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1jcx h ARG 2168CO 0.00 0.00 -0.28 0.66 -1.07 0.00 0.00 179.97 179.28 1jcx h SER 2169N 0.00 0.00 0.71 7.04 4.64 -1.59 -3.02 113.55 121.34 1jcx h SER 2169Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1jcx h SER 2169Cb 0.35 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1jcx h SER 2169CO 0.00 0.28 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.83 1jcx h LEU 2170N 0.00 -0.82 -1.40 5.97 4.07 -1.69 -0.39 115.31 121.05 1jcx h LEU 2170Ca -0.00 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1jcx h LEU 2170Cb 0.51 0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1jcx h LEU 2170CO 0.04 -0.58 -0.30 1.55 -1.08 0.00 0.00 178.44 178.06 1jcx h PRO 2171N -0.96 0.00 -0.09 1.13 0.13 -1.74 -2.22 132.00 128.25 1jcx h PRO 2171Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1jcx h PRO 2171Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1jcx h PRO 2171CO 0.16 0.30 -0.03 0.82 -0.23 0.00 0.00 178.00 179.02 1jcx h ILE 2172N 0.00 1.31 0.00 -3.56 2.04 -1.39 -3.20 117.51 112.71 1jcx h ILE 2172Ca -0.00 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 1jcx h ILE 2172Cb 0.56 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1jcx h ILE 2172CO 0.04 0.28 -0.34 0.24 0.00 0.00 0.00 178.15 178.37 1jcx h MET 2173N -0.18 0.00 0.00 2.37 2.86 -0.97 -2.88 114.93 116.13 1jcx h MET 2173Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1jcx h MET 2173Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1jcx h MET 2173CO 0.01 0.34 0.00 -0.22 1.06 0.00 0.00 176.91 178.10 1jcx h LYS 2174N 0.00 0.00 0.00 1.72 1.63 -1.39 -2.10 116.57 116.43 1jcx h LYS 2174Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1jcx h LYS 2174Cb 0.74 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1jcx h LYS 2174CO 0.04 0.00 -0.23 1.96 -3.45 0.00 0.00 179.45 177.78 1jcx h GLN 2175N 0.00 0.00 0.00 1.90 4.20 -1.61 -3.33 115.11 116.27 1jcx h GLN 2175Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jcx h GLN 2175Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1jcx h GLN 2175CO 0.00 0.23 0.00 -2.67 -0.67 0.00 0.00 178.83 175.72 1jcx n TRP 2176N -3.83 0.00 -3.71 2.96 2.14 -0.82 -5.11 117.44 109.06 1jcx n TRP 2176Ca -0.02 -0.02 -0.06 0.00 2.07 0.00 0.00 57.50 59.47 1jcx n TRP 2176Cb 0.32 -0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.80 1jcx n TRP 2176CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1jcx s ALA 2177N -0.05 -1.57 0.34 -1.67 0.00 -0.99 -4.99 121.76 112.84 1jcx s ALA 2177Ca 0.00 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 1jcx s ALA 2177Cb 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 23.12 23.71 1jcx s ALA 2177CO 0.00 -0.96 1.02 0.15 0.00 0.00 0.00 175.76 175.97 1jcx s LYS 2178N -3.46 4.42 -0.11 0.00 1.02 -1.14 -4.09 119.74 116.39 1jcx s LYS 2178Ca 0.10 1.50 0.01 0.00 0.02 0.00 0.00 55.97 57.60 1jcx s LYS 2178Cb -0.02 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1jcx s LYS 2178CO 0.00 0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.46 1jcx s VAL 2179N -1.53 2.96 -0.04 3.17 1.01 -1.26 -1.38 120.40 123.33 1jcx s VAL 2179Ca 0.52 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1jcx s VAL 2179Cb -0.23 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1jcx s VAL 2179CO 0.29 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 175.14 1jcx s ILE 2180N 0.16 2.98 -0.23 2.22 -1.09 -0.11 0.03 121.20 125.16 1jcx s ILE 2180Ca -0.08 -0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 1jcx s ILE 2180Cb -0.15 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 1jcx s ILE 2180CO 0.05 0.56 0.06 -0.47 -1.23 0.00 0.00 174.94 173.92 1jcx s TYR 2181N -0.75 3.12 -0.56 3.97 5.04 -0.29 -0.66 117.35 127.23 1jcx s TYR 2181Ca 0.12 -0.27 -0.24 0.00 -2.44 0.00 0.00 57.07 54.24 1jcx s TYR 2181Cb -0.11 -2.18 0.04 0.00 0.35 0.00 0.00 41.96 40.07 1jcx s TYR 2181CO 0.01 -0.20 0.93 0.34 -1.34 0.00 0.00 175.55 175.29 1jcx s ASP 2182N 1.21 6.32 0.36 4.32 -1.08 0.09 -0.11 116.67 127.78 1jcx s ASP 2182Ca 0.04 -0.44 0.24 0.00 -0.52 0.00 0.00 52.55 51.88 1jcx s ASP 2182Cb -0.14 -2.43 0.53 0.00 -1.46 0.00 0.00 42.92 39.42 1jcx s ASP 2182CO 0.03 -1.23 1.68 0.00 0.52 0.00 0.00 175.17 176.17 1jcx h ALA 2183N 9.32 1.00 0.07 3.66 0.00 -1.29 -3.26 119.26 128.75 1jcx h ALA 2183Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.27 1jcx h ALA 2183Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1jcx h ALA 2183CO 1.09 0.00 -2.17 0.25 0.00 0.00 0.00 179.25 178.42 1jcx n THR 2184N -2.80 1.65 0.43 0.00 -2.24 -1.26 -4.44 114.28 105.63 1jcx n THR 2184Ca 0.04 -0.58 0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1jcx n THR 2184Cb 0.49 -1.64 0.23 0.00 -2.10 0.00 0.00 70.33 67.31 1jcx n THR 2184CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1jcx h HIS 2185N -0.06 0.00 0.00 4.78 3.86 -1.91 -3.31 115.15 118.50 1jcx h HIS 2185Ca -0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.71 1jcx h HIS 2185Cb 1.93 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.39 1jcx h HIS 2185CO 0.05 0.00 -0.04 0.77 0.86 0.00 0.00 177.93 179.57 1jcx h SER 2186N 0.00 0.00 -0.02 2.45 0.02 -1.68 -2.46 113.55 111.87 1jcx h SER 2186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jcx h SER 2186Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1jcx h SER 2186CO 0.00 0.04 -0.22 1.33 -1.14 0.00 0.00 176.83 176.85 1jcx n VAL 2187N -3.18 0.00 -2.28 2.27 0.24 -1.25 -4.67 118.33 109.47 1jcx n VAL 2187Ca -0.00 -0.39 -0.38 0.00 -2.04 0.00 0.00 64.34 61.53 1jcx n VAL 2187Cb 0.29 1.28 -0.01 0.00 -1.47 0.00 0.00 33.84 33.92 1jcx n VAL 2187CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1jcx s GLN 2188N -1.83 3.90 -0.42 7.34 -0.21 -0.93 -3.10 119.66 124.43 1jcx s GLN 2188Ca 0.17 1.80 -0.10 0.00 0.02 0.00 0.00 55.36 57.25 1jcx s GLN 2188Cb 0.15 -2.53 0.07 0.00 1.00 0.00 0.00 33.01 31.69 1jcx s GLN 2188CO 0.36 -0.44 0.26 -0.51 -2.12 0.00 0.00 175.29 172.84 1jcx s LEU 2189N -2.77 5.13 0.00 2.90 1.43 -1.26 -4.27 118.68 119.83 1jcx s LEU 2189Ca 0.60 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1jcx s LEU 2189Cb -0.29 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1jcx s LEU 2189CO 0.36 -0.52 0.00 -2.65 0.23 0.00 0.00 176.35 173.77 1jcx n PRO 2190N 4.95 0.00 -3.60 1.29 -0.02 -1.26 -4.89 135.00 131.47 1jcx n PRO 2190Ca -0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.24 1jcx n PRO 2190Cb 0.43 -0.82 -0.07 0.00 -0.02 0.00 0.00 33.50 33.03 1jcx n PRO 2190CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jcx s GLY 2199N 0.57 -0.47 -0.35 -1.23 0.00 -1.26 -4.32 107.32 100.27 1jcx s GLY 2199Ca 0.00 1.96 -0.18 0.00 0.00 0.00 0.00 44.72 46.50 1jcx s GLY 2199CO 0.00 1.52 0.52 1.06 0.00 0.00 0.00 173.10 176.20 1jcx s MET 2200N -0.14 3.61 0.58 2.90 -1.94 -1.18 -4.57 119.30 118.55 1jcx s MET 2200Ca -0.02 -0.17 0.30 0.00 -1.71 0.00 0.00 55.69 54.09 1jcx s MET 2200Cb -0.03 -3.81 1.76 0.00 2.01 0.00 0.00 34.83 34.75 1jcx s MET 2200CO 0.02 -0.66 2.21 -0.09 -0.01 0.00 0.00 175.02 176.49 1jcx h ARG 2201N 8.47 0.00 0.00 2.03 2.43 -1.93 -2.31 114.38 123.07 1jcx h ARG 2201Ca -0.28 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1jcx h ARG 2201Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1jcx h ARG 2201CO 0.78 0.03 -0.00 1.05 -1.51 0.00 0.00 179.97 180.32 1jcx h GLU 2202N 0.00 0.00 -0.01 0.20 4.11 -1.95 -2.29 114.58 114.64 1jcx h GLU 2202Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jcx h GLU 2202Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1jcx h GLU 2202CO 0.00 0.00 -0.54 1.19 0.07 0.00 0.00 179.01 179.74 1jcx n PHE 2203N -3.13 0.00 0.27 2.06 3.72 -0.87 -4.59 117.46 114.92 1jcx n PHE 2203Ca -0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.21 1jcx n PHE 2203Cb 0.09 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.55 1jcx n PHE 2203CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1jcx h ILE 2204N 2.14 0.40 -0.19 4.37 2.04 -1.53 -2.43 117.51 122.31 1jcx h ILE 2204Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1jcx h ILE 2204Cb 0.72 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1jcx h ILE 2204CO 0.00 0.00 0.06 0.15 0.00 0.00 0.00 178.15 178.36 1jcx h PHE 2205N -0.72 0.30 -0.56 1.37 -0.00 -1.81 -2.06 116.94 113.45 1jcx h PHE 2205Ca -0.05 -0.03 0.09 0.00 -0.00 0.00 0.00 57.97 57.97 1jcx h PHE 2205Cb 0.59 -0.09 -0.07 0.00 -0.00 0.00 0.00 35.95 36.39 1jcx h PHE 2205CO -0.10 0.39 0.19 -1.35 -0.00 0.00 0.00 178.31 177.45 1jcx h PRO 2206N 0.13 0.36 0.00 6.41 0.11 -1.80 -1.42 132.00 135.78 1jcx h PRO 2206Ca 0.06 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 1jcx h PRO 2206Cb 0.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1jcx h PRO 2206CO -0.00 0.24 -0.45 -0.07 -0.21 0.00 0.00 178.00 177.50 1jcx h LEU 2207N 0.37 0.00 -0.48 2.35 3.38 -1.38 -2.23 115.31 117.32 1jcx h LEU 2207Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1jcx h LEU 2207Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jcx h LEU 2207CO -0.29 0.45 -0.05 0.40 0.09 0.00 0.00 178.44 179.04 1jcx h ILE 2208N 0.00 1.27 -0.74 1.22 2.04 -0.74 -1.06 117.51 119.49 1jcx h ILE 2208Ca -0.00 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.72 1jcx h ILE 2208Cb 0.95 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1jcx h ILE 2208CO 0.06 0.40 0.49 0.03 0.00 0.00 0.00 178.15 179.13 1jcx h ARG 2209N 0.72 0.98 -0.61 2.37 3.08 -0.97 -2.20 114.38 117.74 1jcx h ARG 2209Ca 0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1jcx h ARG 2209Cb 0.58 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1jcx h ARG 2209CO 0.03 0.65 0.39 0.00 -1.07 0.00 0.00 179.97 179.97 1jcx h ALA 2210N 1.28 0.78 -0.58 0.04 0.00 -1.08 -1.53 119.26 118.17 1jcx h ALA 2210Ca 0.27 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1jcx h ALA 2210Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 1jcx h ALA 2210CO -0.06 0.24 0.32 0.00 0.00 0.00 0.00 179.25 179.75 1jcx h ALA 2211N 1.20 0.75 0.00 0.00 0.00 -0.61 -0.20 119.26 120.40 1jcx h ALA 2211Ca 0.22 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1jcx h ALA 2211Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1jcx h ALA 2211CO -0.04 0.01 -0.60 -0.39 0.00 0.00 0.00 179.25 178.23 1jcx h VAL 2212N 0.63 1.18 -0.19 0.00 -1.51 -1.26 0.22 116.25 115.31 1jcx h VAL 2212Ca 0.25 -2.27 -0.15 0.00 -1.23 0.00 0.00 66.70 63.29 1jcx h VAL 2212Cb 0.10 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1jcx h VAL 2212CO -0.14 0.59 -0.51 0.00 -1.23 0.00 0.00 177.57 176.28 1jcx h ALA 2213N 1.40 0.75 -0.06 5.19 0.00 -0.81 -3.12 119.26 122.60 1jcx h ALA 2213Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1jcx h ALA 2213Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jcx h ALA 2213CO 0.08 0.68 -0.25 0.28 0.00 0.00 0.00 179.25 180.04 1jcx h VAL 2214N 0.43 1.44 0.00 0.00 2.07 -0.94 -3.47 116.25 115.78 1jcx h VAL 2214Ca 0.02 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1jcx h VAL 2214Cb 1.04 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1jcx h VAL 2214CO 0.10 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.77 1jcx n GLY 2215N 0.67 2.97 3.41 2.17 0.00 0.05 -4.84 105.19 109.63 1jcx n GLY 2215Ca -0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1jcx n GLY 2215CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcx n ASP 2217N -0.37 1.55 0.00 0.00 8.00 0.10 -4.99 116.55 120.84 1jcx n ASP 2217Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1jcx n ASP 2217Cb 0.64 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1jcx n ASP 2217CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jcx n GLY 2218N 1.40 0.62 3.22 0.44 0.00 -1.12 -1.56 105.19 108.19 1jcx n GLY 2218Ca 0.10 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1jcx n GLY 2218CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcx s VAL 2219N -2.00 1.45 -0.15 1.61 1.01 0.17 -1.13 120.40 121.36 1jcx s VAL 2219Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1jcx s VAL 2219Cb 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.07 1jcx s VAL 2219CO 0.00 0.04 -0.15 0.12 0.00 0.00 0.00 175.10 175.11 1jcx s PHE 2220N -0.95 2.78 -0.04 5.22 2.19 0.85 -0.82 117.98 127.21 1jcx s PHE 2220Ca 0.04 -0.94 -0.01 0.00 0.33 0.00 0.00 56.93 56.35 1jcx s PHE 2220Cb -0.09 -1.87 0.03 0.00 -1.31 0.00 0.00 43.02 39.78 1jcx s PHE 2220CO 0.02 -0.41 0.07 -1.64 1.83 0.00 0.00 175.22 175.10 1jcx s MET 2221N 0.68 0.00 -0.10 10.12 -1.94 0.55 -0.85 119.30 127.77 1jcx s MET 2221Ca -0.07 0.26 -0.21 0.00 -1.71 0.00 0.00 55.69 53.95 1jcx s MET 2221Cb -0.16 -0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 1jcx s MET 2221CO 0.02 -0.17 0.61 -1.21 -0.01 0.00 0.00 175.02 174.26 1jcx s GLU 2222N 1.13 4.38 0.01 2.03 2.02 -1.26 -2.96 118.70 124.05 1jcx s GLU 2222Ca -0.09 0.69 0.03 0.00 0.02 0.00 0.00 54.97 55.62 1jcx s GLU 2222Cb -0.13 -3.46 -0.01 0.00 0.10 0.00 0.00 34.13 30.64 1jcx s GLU 2222CO -0.04 0.07 -0.09 -0.08 0.02 0.00 0.00 175.26 175.14 1jcx s THR 2223N 0.84 0.70 -0.06 3.63 -1.32 -0.34 -0.38 115.64 118.72 1jcx s THR 2223Ca 0.32 -0.61 -0.06 0.00 -1.21 0.00 0.00 61.69 60.14 1jcx s THR 2223Cb -0.17 -0.64 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 1jcx s THR 2223CO 0.14 0.04 0.17 -2.28 -2.21 0.00 0.00 174.62 170.48 1jcx s HIS 2224N -0.54 -0.18 0.29 9.09 5.04 -0.12 -2.51 115.29 126.36 1jcx s HIS 2224Ca 0.00 0.43 0.03 0.00 -1.54 0.00 0.00 55.06 53.99 1jcx s HIS 2224Cb -0.05 0.06 0.64 0.00 0.04 0.00 0.00 32.58 33.26 1jcx s HIS 2224CO 0.00 -0.09 1.80 -1.35 -2.34 0.00 0.00 174.74 172.76 1jcx h PRO 2225N 5.84 0.83 -2.42 2.88 0.11 -1.94 -2.02 132.00 135.28 1jcx h PRO 2225Ca -0.25 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.21 1jcx h PRO 2225Cb 1.20 -0.19 -0.38 0.00 0.11 0.00 0.00 31.00 31.74 1jcx h PRO 2225CO 0.40 0.55 -0.95 -1.21 -0.21 0.00 0.00 178.00 176.59 1jcx s GLU 2226N -5.91 1.00 0.28 1.05 2.02 -1.26 -4.53 118.70 111.34 1jcx s GLU 2226Ca -0.12 -2.17 -0.01 0.00 0.02 0.00 0.00 54.97 52.69 1jcx s GLU 2226Cb 0.23 -1.55 0.62 0.00 0.10 0.00 0.00 34.13 33.53 1jcx s GLU 2226CO 0.80 -1.38 1.63 -1.35 0.02 0.00 0.00 175.26 174.99 1jcx h PRO 2227N 5.66 0.14 -0.37 0.39 0.11 -1.85 0.13 132.00 136.22 1jcx h PRO 2227Ca 0.25 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.43 1jcx h PRO 2227Cb 0.90 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1jcx h PRO 2227CO 0.39 0.09 0.26 1.05 -0.21 0.00 0.00 178.00 179.58 1jcx h GLU 2228N 0.15 0.14 -0.02 1.05 4.11 -1.93 0.10 114.58 118.18 1jcx h GLU 2228Ca 0.51 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1jcx h GLU 2228Cb 0.99 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1jcx h GLU 2228CO -0.69 0.09 0.00 1.63 0.07 0.00 0.00 179.01 180.11 1jcx n LYS 2229N -4.46 1.91 -1.92 1.06 5.02 0.43 -4.94 118.16 115.24 1jcx n LYS 2229Ca 0.05 -1.32 -0.37 0.00 -2.02 0.00 0.00 58.31 54.65 1jcx n LYS 2229Cb 0.34 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1jcx n LYS 2229CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jcx s ALA 2230N -2.00 2.63 -2.19 7.82 0.00 0.02 -4.91 121.76 123.14 1jcx s ALA 2230Ca 0.34 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.63 1jcx s ALA 2230Cb 0.21 -3.50 0.82 0.00 0.00 0.00 0.00 23.12 20.65 1jcx s ALA 2230CO 0.32 -1.25 1.57 1.28 0.00 0.00 0.00 175.76 177.68 1jcx n LEU 2231N -1.39 1.20 -3.60 0.00 4.77 -1.26 -4.59 117.00 112.12 1jcx n LEU 2231Ca 0.13 -0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 55.47 1jcx n LEU 2231Cb 0.48 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1jcx n LEU 2231CO 0.47 0.25 0.54 -0.55 -1.33 0.00 0.00 177.39 176.78 1jcx s SER 2232N -1.54 -0.61 -1.53 -1.43 0.15 -1.26 -4.72 113.70 102.75 1jcx s SER 2232Ca 0.30 1.03 -0.08 0.00 0.70 0.00 0.00 55.95 57.90 1jcx s SER 2232Cb 0.16 0.99 0.07 0.00 -1.71 0.00 0.00 66.02 65.52 1jcx s SER 2232CO 0.24 -0.32 0.57 0.47 1.20 0.00 0.00 173.24 175.40 1jcx n ASP 2233N 1.95 -1.61 0.10 5.45 8.00 -1.26 -4.81 116.55 124.38 1jcx n ASP 2233Ca -0.14 -1.01 0.09 0.00 0.71 0.00 0.00 54.79 54.44 1jcx n ASP 2233Cb 0.56 -2.91 0.42 0.00 -0.02 0.00 0.00 41.12 39.17 1jcx n ASP 2233CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jcx n ALA 2234N -4.42 1.32 -0.02 2.24 0.00 -1.26 -1.66 120.51 116.72 1jcx n ALA 2234Ca -0.15 0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 1jcx n ALA 2234Cb 0.60 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 1jcx n ALA 2234CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jcx n SER 2235N -2.03 2.08 0.00 0.00 7.64 -1.26 -3.92 113.62 116.14 1jcx n SER 2235Ca 0.01 0.23 0.11 0.00 1.01 0.00 0.00 58.87 60.23 1jcx n SER 2235Cb 0.11 -0.87 -0.13 0.00 -1.01 0.00 0.00 64.21 62.31 1jcx n SER 2235CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jcx n THR 2236N -3.63 0.04 -1.82 0.44 -2.24 -1.12 -4.43 114.28 101.53 1jcx n THR 2236Ca -0.33 -0.33 -0.42 0.00 -2.27 0.00 0.00 64.05 60.70 1jcx n THR 2236Cb 0.99 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1jcx n THR 2236CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jcx s GLN 2237N -3.33 4.17 0.15 -0.78 -0.21 -0.66 -4.90 119.66 114.09 1jcx s GLN 2237Ca -0.02 2.48 -0.30 0.00 0.02 0.00 0.00 55.36 57.54 1jcx s GLN 2237Cb 0.14 -3.37 -0.08 0.00 1.00 0.00 0.00 33.01 30.71 1jcx s GLN 2237CO 0.88 -0.74 1.26 -1.17 -2.12 0.00 0.00 175.29 173.40 1jcx s LEU 2238N 1.98 4.41 0.12 2.90 2.96 0.49 -4.71 118.68 126.84 1jcx s LEU 2238Ca 0.75 2.24 -0.31 0.00 -0.22 0.00 0.00 54.13 56.59 1jcx s LEU 2238Cb -0.45 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.54 1jcx s LEU 2238CO 0.33 -0.48 1.81 -2.84 -1.32 0.00 0.00 176.35 173.85 1jcx s PRO 2239N 0.34 4.14 0.33 0.98 0.02 -1.26 -0.95 135.00 138.60 1jcx s PRO 2239Ca 0.57 2.57 0.10 0.00 0.02 0.00 0.00 61.00 64.26 1jcx s PRO 2239Cb -0.33 -3.56 0.99 0.00 0.02 0.00 0.00 34.50 31.62 1jcx s PRO 2239CO 0.34 -0.83 1.60 1.25 -0.33 0.00 0.00 177.00 179.04 1jcx h LEU 2240N 8.49 0.04 -2.40 -5.54 6.46 -1.60 0.18 115.31 120.94 1jcx h LEU 2240Ca -0.45 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1jcx h LEU 2240Cb 1.21 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 1jcx h LEU 2240CO 0.95 -0.30 0.00 0.77 -0.62 0.00 0.00 178.44 179.23 1jcx h SER 2241N 0.10 0.00 0.46 1.25 4.64 -1.89 -2.45 113.55 115.66 1jcx h SER 2241Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1jcx h SER 2241Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1jcx h SER 2241CO -0.77 0.00 -0.51 0.00 -0.87 0.00 0.00 176.83 174.69 1jcx n GLN 2242N -3.06 0.06 -0.10 4.77 6.02 0.62 -4.37 117.38 121.33 1jcx n GLN 2242Ca -0.02 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.86 1jcx n GLN 2242Cb 0.15 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.91 1jcx n GLN 2242CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jcx h LEU 2243N 0.09 0.34 -0.21 1.08 5.85 -1.48 -2.74 115.31 118.23 1jcx h LEU 2243Ca 0.00 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1jcx h LEU 2243Cb 0.50 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1jcx h LEU 2243CO 0.00 0.25 0.01 -0.08 -0.34 0.00 0.00 178.44 178.28 1jcx h GLU 2244N 0.42 0.08 -0.78 1.25 4.81 -1.78 -1.38 114.58 117.21 1jcx h GLU 2244Ca 0.13 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 1jcx h GLU 2244Cb -0.01 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1jcx h GLU 2244CO -0.05 0.05 0.48 0.78 -0.73 0.00 0.00 179.01 179.54 1jcx h GLY 2245N 0.08 1.14 1.20 1.92 0.00 -1.81 -1.25 103.07 104.35 1jcx h GLY 2245Ca 0.10 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1jcx h GLY 2245CO -0.16 0.27 -0.15 -2.22 0.00 0.00 0.00 176.54 174.28 1jcx h ILE 2246N 0.91 1.27 -0.24 2.60 2.04 -1.17 -1.46 117.51 121.45 1jcx h ILE 2246Ca 0.32 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1jcx h ILE 2246Cb 0.09 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1jcx h ILE 2246CO -0.14 0.45 0.06 0.40 0.00 0.00 0.00 178.15 178.92 1jcx h ILE 2247N 0.82 1.21 -0.77 -0.67 2.04 -0.84 -0.32 117.51 118.99 1jcx h ILE 2247Ca 0.12 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1jcx h ILE 2247Cb 0.70 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1jcx h ILE 2247CO 0.05 0.22 0.49 -0.08 0.00 0.00 0.00 178.15 178.83 1jcx h GLU 2248N 0.21 0.93 -0.27 2.37 4.57 -1.15 -0.80 114.58 120.45 1jcx h GLU 2248Ca 0.08 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1jcx h GLU 2248Cb 0.27 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1jcx h GLU 2248CO 0.00 0.62 0.15 0.00 -1.18 0.00 0.00 179.01 178.60 1jcx h ALA 2249N 1.32 0.34 0.00 2.92 0.00 -0.95 -1.46 119.26 121.43 1jcx h ALA 2249Ca 0.30 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1jcx h ALA 2249Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jcx h ALA 2249CO -0.10 -0.15 -0.39 -0.84 0.00 0.00 0.00 179.25 177.77 1jcx h ILE 2250N 0.33 1.02 -0.40 0.00 3.07 -0.66 -1.71 117.51 119.16 1jcx h ILE 2250Ca 0.09 -1.46 -0.16 0.00 1.55 0.00 0.00 64.86 64.88 1jcx h ILE 2250Cb 0.04 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 38.43 1jcx h ILE 2250CO -0.02 0.38 -0.37 -0.07 -1.05 0.00 0.00 178.15 177.02 1jcx h LEU 2251N 0.00 1.01 -0.33 0.16 3.38 -0.82 -0.38 115.31 118.33 1jcx h LEU 2251Ca -0.00 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1jcx h LEU 2251Cb 0.82 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1jcx h LEU 2251CO 0.05 1.26 -0.01 -0.33 0.09 0.00 0.00 178.44 179.50 1jcx h GLU 2252N 0.78 0.59 -0.49 1.13 5.08 -1.04 -0.94 114.58 119.69 1jcx h GLU 2252Ca 0.07 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1jcx h GLU 2252Cb 0.97 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1jcx h GLU 2252CO 0.09 0.73 0.13 0.82 -1.00 0.00 0.00 179.01 179.78 1jcx h ILE 2253N 0.39 1.24 -0.61 3.13 2.04 -1.26 -2.86 117.51 119.57 1jcx h ILE 2253Ca 0.09 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1jcx h ILE 2253Cb 0.47 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1jcx h ILE 2253CO 0.02 0.29 0.40 -0.09 0.00 0.00 0.00 178.15 178.78 1jcx h ARG 2254N 0.66 0.81 -0.55 2.37 2.43 -0.97 0.82 114.38 119.96 1jcx h ARG 2254Ca 0.15 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1jcx h ARG 2254Cb 0.31 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1jcx h ARG 2254CO -0.00 0.54 0.18 1.49 -1.51 0.00 0.00 179.97 180.67 1jcx h GLU 2255N 0.83 0.33 0.02 0.20 4.22 -0.96 0.19 114.58 119.42 1jcx h GLU 2255Ca 0.22 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.53 1jcx h GLU 2255Cb -0.09 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.09 1jcx h GLU 2255CO -0.05 0.22 -0.45 0.28 -2.18 0.00 0.00 179.01 176.83 1jcx h VAL 2256N 0.34 1.52 -0.10 0.32 2.07 -1.29 -3.36 116.25 115.75 1jcx h VAL 2256Ca 0.27 -2.12 -0.12 0.00 0.82 0.00 0.00 66.70 65.55 1jcx h VAL 2256Cb 0.34 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1jcx h VAL 2256CO -0.30 0.59 -0.47 0.00 0.02 0.00 0.00 177.57 177.41 1jcx h ALA 2257N 0.23 1.02 -0.64 1.67 0.00 -0.67 -3.23 119.26 117.65 1jcx h ALA 2257Ca -0.06 -0.46 0.18 0.00 0.00 0.00 0.00 54.91 54.58 1jcx h ALA 2257Cb 1.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1jcx h ALA 2257CO 0.09 0.64 0.56 0.66 0.00 0.00 0.00 179.25 181.19 1jcx h SER 2258N 0.20 0.00 -0.12 0.00 4.64 -0.76 0.30 113.55 117.80 1jcx h SER 2258Ca 0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1jcx h SER 2258Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1jcx h SER 2258CO 0.07 0.00 0.10 0.50 -0.87 0.00 0.00 176.83 176.63 1jcx h LYS 2259N 0.00 0.00 -0.18 4.77 3.64 -1.77 -2.54 116.57 120.49 1jcx h LYS 2259Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1jcx h LYS 2259Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1jcx h LYS 2259CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1jcx n TYR 2260N -4.31 0.21 -1.81 1.91 4.02 0.10 -4.97 117.16 112.32 1jcx n TYR 2260Ca 0.00 -0.12 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 1jcx n TYR 2260Cb 0.22 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1jcx n TYR 2260CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jcx s TYR 2261N -1.61 2.63 0.45 -0.72 2.02 -0.96 -4.94 117.35 114.22 1jcx s TYR 2261Ca 0.30 0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 57.06 1jcx s TYR 2261Cb 0.19 -4.07 -0.07 0.00 -0.40 0.00 0.00 41.96 37.61 1jcx s TYR 2261CO 0.28 -4.18 1.23 -1.21 -1.57 0.00 0.00 175.55 170.10 1jcx s GLU 2262N 1.90 3.76 -0.09 -0.62 8.01 -1.26 -4.94 118.70 125.46 1jcx s GLU 2262Ca 0.75 1.95 -0.29 0.00 0.01 0.00 0.00 54.97 57.39 1jcx s GLU 2262Cb -0.45 -2.52 -0.05 0.00 -4.31 0.00 0.00 34.13 26.80 1jcx s GLU 2262CO 0.33 -0.60 1.64 0.99 0.01 0.00 0.00 175.26 177.63 1jcx s THR 2263N -1.41 3.62 0.00 3.63 2.01 -1.26 -5.16 115.64 117.07 1jcx s THR 2263Ca 0.62 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1jcx s THR 2263Cb -0.33 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1jcx s THR 2263CO 0.41 -0.10 0.00 0.00 -0.69 0.00 0.00 174.62 174.24