#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iy9 n GLU 2003N 0.00 2.82 -3.50 -1.46 -0.58 -1.26 -5.02 120.64 111.64 1iy9 n GLU 2003Ca 0.00 -4.69 -0.41 0.00 -0.42 0.00 0.00 57.16 51.64 1iy9 n GLU 2003Cb 0.00 -2.20 -0.10 0.00 -0.57 0.00 0.00 31.44 28.57 1iy9 n GLU 2003CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1iy9 s LEU 2004N -3.01 4.54 0.04 -4.62 2.96 -1.26 -5.07 118.68 112.27 1iy9 s LEU 2004Ca 0.45 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1iy9 s LEU 2004Cb 0.23 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 1iy9 s LEU 2004CO -0.09 -0.27 -0.16 0.26 -1.32 0.00 0.00 176.35 174.77 1iy9 s TRP 2005N 1.78 1.39 -0.20 5.38 0.52 -1.26 -0.82 118.94 125.72 1iy9 s TRP 2005Ca 0.07 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.80 1iy9 s TRP 2005Cb -0.17 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 1iy9 s TRP 2005CO 0.11 0.06 -0.06 -0.47 0.02 0.00 0.00 176.95 176.60 1iy9 s TYR 2006N -0.87 2.93 -0.09 -1.98 6.04 0.03 -4.93 117.35 118.49 1iy9 s TYR 2006Ca 0.03 -0.85 0.01 0.00 0.04 0.00 0.00 57.07 56.29 1iy9 s TYR 2006Cb -0.08 -2.04 -0.03 0.00 -1.04 0.00 0.00 41.96 38.77 1iy9 s TYR 2006CO 0.02 -0.45 -0.09 0.99 -1.54 0.00 0.00 175.55 174.47 1iy9 s THR 2007N 1.19 3.47 -0.25 4.34 2.01 -1.26 -0.88 115.64 124.25 1iy9 s THR 2007Ca 0.02 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1iy9 s THR 2007Cb -0.14 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 69.98 1iy9 s THR 2007CO -0.02 0.57 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.69 1iy9 s GLU 2008N -0.40 2.60 -0.93 4.92 2.12 -0.34 -5.00 118.70 121.66 1iy9 s GLU 2008Ca 0.05 -1.12 -0.24 0.00 0.36 0.00 0.00 54.97 54.03 1iy9 s GLU 2008Cb -0.12 -2.92 0.05 0.00 0.26 0.00 0.00 34.13 31.40 1iy9 s GLU 2008CO 0.02 -0.46 1.37 0.15 -0.54 0.00 0.00 175.26 175.80 1iy9 s LYS 2009N 1.24 3.47 0.08 4.30 -0.14 -1.26 -1.82 119.74 125.61 1iy9 s LYS 2009Ca -0.03 -0.93 0.14 0.00 -1.36 0.00 0.00 55.97 53.79 1iy9 s LYS 2009Cb -0.18 -4.99 0.60 0.00 -1.68 0.00 0.00 37.83 31.58 1iy9 s LYS 2009CO -0.05 -2.15 1.43 1.04 -0.76 0.00 0.00 175.35 174.85 1iy9 n GLN 2010N 8.82 0.05 -3.59 1.68 6.02 -0.24 -4.64 117.38 125.48 1iy9 n GLN 2010Ca 0.24 0.37 -0.11 0.00 -0.01 0.00 0.00 57.00 57.49 1iy9 n GLN 2010Cb 0.50 -1.61 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 1iy9 n GLN 2010CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1iy9 s THR 2011N -3.11 0.05 0.59 5.09 2.01 -0.53 -4.98 115.64 114.76 1iy9 s THR 2011Ca 0.04 -0.44 0.34 0.00 0.31 0.00 0.00 61.69 61.93 1iy9 s THR 2011Cb 0.07 -1.13 0.37 0.00 0.01 0.00 0.00 72.50 71.83 1iy9 s THR 2011CO 0.23 -0.25 2.27 0.11 -0.69 0.00 0.00 174.62 176.29 1iy9 h LYS 2012N 2.29 0.00 -0.21 4.92 1.57 -2.01 -3.00 116.57 120.13 1iy9 h LYS 2012Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1iy9 h LYS 2012Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1iy9 h LYS 2012CO 0.45 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 1iy9 n ASN 2013N -3.61 2.62 -3.55 0.86 3.02 -1.26 -5.03 115.26 108.31 1iy9 n ASN 2013Ca -0.03 -2.07 -0.16 0.00 -0.03 0.00 0.00 54.58 52.29 1iy9 n ASN 2013Cb 0.10 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 1iy9 n ASN 2013CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1iy9 s PHE 2014N -1.13 -0.64 0.05 3.10 5.36 -1.13 -5.11 117.98 118.49 1iy9 s PHE 2014Ca 0.16 1.21 -0.20 0.00 -0.96 0.00 0.00 56.93 57.14 1iy9 s PHE 2014Cb 0.09 0.39 0.07 0.00 -0.34 0.00 0.00 43.02 43.23 1iy9 s PHE 2014CO 0.09 -0.51 0.93 0.41 -1.46 0.00 0.00 175.22 174.68 1iy9 n GLY 2015N 1.27 0.49 3.52 13.12 0.00 -1.26 -1.08 105.19 121.24 1iy9 n GLY 2015Ca -0.17 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 1iy9 n GLY 2015CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iy9 s ILE 2016N -2.09 2.81 -0.05 -0.61 -4.36 -0.75 -4.92 121.20 111.22 1iy9 s ILE 2016Ca 0.21 -2.02 -0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1iy9 s ILE 2016Cb -0.01 -2.43 0.03 0.00 1.25 0.00 0.00 42.46 41.30 1iy9 s ILE 2016CO 0.02 -0.24 0.01 0.28 0.24 0.00 0.00 174.94 175.24 1iy9 s THR 2017N -2.04 0.21 -0.11 8.37 -1.32 -1.26 -1.20 115.64 118.28 1iy9 s THR 2017Ca 0.26 0.16 -0.02 0.00 -1.21 0.00 0.00 61.69 60.88 1iy9 s THR 2017Cb -0.07 -0.36 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 1iy9 s THR 2017CO 0.15 0.20 -0.02 -0.04 -2.21 0.00 0.00 174.62 172.69 1iy9 s MET 2018N 1.61 3.20 -0.07 7.08 -1.94 -0.06 -4.95 119.30 124.17 1iy9 s MET 2018Ca -0.01 -0.47 -0.28 0.00 -1.71 0.00 0.00 55.69 53.22 1iy9 s MET 2018Cb -0.13 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.88 1iy9 s MET 2018CO -0.03 0.53 0.92 0.21 -0.01 0.00 0.00 175.02 176.64 1iy9 s LYS 2019N -0.42 4.46 -0.09 2.03 2.20 -1.26 -0.79 119.74 125.86 1iy9 s LYS 2019Ca 0.07 1.26 -0.03 0.00 -0.36 0.00 0.00 55.97 56.92 1iy9 s LYS 2019Cb -0.12 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1iy9 s LYS 2019CO 0.02 -0.16 0.02 0.08 -0.36 0.00 0.00 175.35 174.95 1iy9 s VAL 2020N 1.47 4.49 -0.14 4.02 1.01 -0.00 -1.63 120.40 129.61 1iy9 s VAL 2020Ca 0.46 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1iy9 s VAL 2020Cb -0.19 -2.90 -0.23 0.00 0.00 0.00 0.00 36.38 33.06 1iy9 s VAL 2020CO 0.21 0.61 0.30 0.59 0.00 0.00 0.00 175.10 176.81 1iy9 n ASN 2021N 2.12 1.04 -3.62 3.32 3.02 0.28 -4.52 115.26 116.90 1iy9 n ASN 2021Ca -0.19 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 1iy9 n ASN 2021Cb 0.54 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 1iy9 n ASN 2021CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1iy9 s LYS 2022N -2.55 0.15 0.11 3.52 -2.85 -1.23 -5.04 119.74 111.86 1iy9 s LYS 2022Ca -0.14 -0.06 -0.08 0.00 -1.00 0.00 0.00 55.97 54.69 1iy9 s LYS 2022Cb 0.07 0.07 -0.06 0.00 -2.06 0.00 0.00 37.83 35.85 1iy9 s LYS 2022CO 0.78 -0.07 0.41 0.95 0.10 0.00 0.00 175.35 177.52 1iy9 s THR 2023N -2.21 5.10 -0.25 3.79 -4.23 -1.26 -0.99 115.64 115.59 1iy9 s THR 2023Ca 0.11 0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1iy9 s THR 2023Cb -0.01 -3.64 -0.15 0.00 1.34 0.00 0.00 72.50 70.05 1iy9 s THR 2023CO -0.03 0.18 -0.25 0.18 -0.54 0.00 0.00 174.62 174.16 1iy9 n LEU 2024N 0.55 2.70 -3.65 4.79 4.77 -0.15 -4.87 117.00 121.14 1iy9 n LEU 2024Ca -0.05 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.81 1iy9 n LEU 2024Cb 0.52 -0.83 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 1iy9 n LEU 2024CO 0.44 0.82 0.32 -2.28 -1.33 0.00 0.00 177.39 175.36 1iy9 s HIS 2025N -2.48 -0.90 -0.09 -1.77 5.04 -0.79 -4.95 115.29 109.35 1iy9 s HIS 2025Ca -0.34 1.92 0.01 0.00 -1.54 0.00 0.00 55.06 55.11 1iy9 s HIS 2025Cb 0.10 0.46 0.02 0.00 0.04 0.00 0.00 32.58 33.20 1iy9 s HIS 2025CO 0.54 -0.45 -0.10 0.99 -2.34 0.00 0.00 174.74 173.38 1iy9 s THR 2026N 1.18 1.08 -0.26 0.89 2.01 -1.26 0.13 115.64 119.41 1iy9 s THR 2026Ca -0.07 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 1iy9 s THR 2026Cb -0.05 -1.04 0.07 0.00 0.01 0.00 0.00 72.50 71.49 1iy9 s THR 2026CO -0.12 0.36 0.68 -0.70 -0.69 0.00 0.00 174.62 174.15 1iy9 s GLU 2027N 1.19 0.79 -0.35 4.92 2.12 -0.23 -5.02 118.70 122.12 1iy9 s GLU 2027Ca -0.05 0.98 -0.16 0.00 0.36 0.00 0.00 54.97 56.10 1iy9 s GLU 2027Cb -0.14 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 1iy9 s GLU 2027CO -0.02 -0.10 0.43 -1.14 -0.54 0.00 0.00 175.26 173.88 1iy9 s GLN 2028N 0.50 3.54 0.64 4.30 2.00 -1.26 -0.62 119.66 128.76 1iy9 s GLN 2028Ca -0.01 -0.35 -0.02 0.00 -2.00 0.00 0.00 55.36 52.98 1iy9 s GLN 2028Cb -0.05 -3.82 0.06 0.00 0.80 0.00 0.00 33.01 30.01 1iy9 s GLN 2028CO -0.01 -0.60 0.91 0.99 -0.50 0.00 0.00 175.29 176.08 1iy9 s THR 2029N 2.17 2.42 0.48 -0.34 2.01 0.98 -4.98 115.64 118.38 1iy9 s THR 2029Ca 0.14 -0.51 0.24 0.00 0.31 0.00 0.00 61.69 61.88 1iy9 s THR 2029Cb -0.16 -2.92 0.28 0.00 0.01 0.00 0.00 72.50 69.71 1iy9 s THR 2029CO 0.12 0.00 2.11 -0.33 -0.69 0.00 0.00 174.62 175.83 1iy9 h GLU 2030N -0.31 0.00 0.00 4.92 3.07 -2.00 -3.27 114.58 117.00 1iy9 h GLU 2030Ca -0.42 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.19 1iy9 h GLU 2030Cb 1.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 1iy9 h GLU 2030CO 0.52 0.09 -1.95 1.19 -1.40 0.00 0.00 179.01 177.47 1iy9 n PHE 2031N -3.91 0.00 -3.82 4.33 3.01 -1.26 -5.11 117.46 110.70 1iy9 n PHE 2031Ca -0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.36 1iy9 n PHE 2031Cb 0.19 -0.66 0.02 0.00 -0.01 0.00 0.00 39.48 39.02 1iy9 n PHE 2031CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1iy9 s GLN 2032N -2.33 2.01 -0.42 -1.08 -2.07 -1.23 -5.09 119.66 109.44 1iy9 s GLN 2032Ca -0.15 -1.27 -0.18 0.00 -1.82 0.00 0.00 55.36 51.94 1iy9 s GLN 2032Cb 0.05 0.58 0.02 0.00 -1.09 0.00 0.00 33.01 32.57 1iy9 s GLN 2032CO 0.47 -0.94 0.46 -1.58 -1.32 0.00 0.00 175.29 172.38 1iy9 s HIS 2033N -2.47 3.16 -0.09 9.60 5.65 -1.26 -0.02 115.29 129.86 1iy9 s HIS 2033Ca 0.16 -0.33 -0.17 0.00 0.25 0.00 0.00 55.06 54.97 1iy9 s HIS 2033Cb -0.05 -2.94 -0.05 0.00 -1.18 0.00 0.00 32.58 28.37 1iy9 s HIS 2033CO 0.10 -0.71 0.45 -1.17 -0.65 0.00 0.00 174.74 172.75 1iy9 s LEU 2034N 2.21 4.33 -0.27 8.88 1.98 0.21 -1.02 118.68 135.00 1iy9 s LEU 2034Ca 0.13 0.84 -0.02 0.00 -2.89 0.00 0.00 54.13 52.19 1iy9 s LEU 2034Cb -0.17 -2.65 0.11 0.00 0.66 0.00 0.00 46.19 44.14 1iy9 s LEU 2034CO 0.14 0.09 0.22 -1.61 -1.89 0.00 0.00 176.35 173.30 1iy9 s GLU 2035N 0.15 0.24 -0.03 1.98 2.02 -0.61 -1.07 118.70 121.39 1iy9 s GLU 2035Ca 0.25 -0.23 -0.18 0.00 0.02 0.00 0.00 54.97 54.83 1iy9 s GLU 2035Cb -0.15 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 33.05 1iy9 s GLU 2035CO 0.11 -0.95 0.50 -1.64 0.02 0.00 0.00 175.26 173.30 1iy9 s MET 2036N 2.25 4.20 0.03 1.61 -1.94 0.12 -1.25 119.30 124.33 1iy9 s MET 2036Ca 0.09 0.56 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1iy9 s MET 2036Cb -0.15 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.34 1iy9 s MET 2036CO -0.30 0.43 -0.04 0.08 -0.01 0.00 0.00 175.02 175.18 1iy9 s VAL 2037N -0.30 0.22 -0.34 -6.03 1.01 -0.10 -0.98 120.40 113.87 1iy9 s VAL 2037Ca 0.27 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 1iy9 s VAL 2037Cb -0.17 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1iy9 s VAL 2037CO 0.14 -0.61 0.18 -0.70 0.00 0.00 0.00 175.10 174.12 1iy9 s GLU 2038N -2.11 3.20 0.09 2.72 2.12 -0.16 -0.26 118.70 124.30 1iy9 s GLU 2038Ca -0.09 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.43 1iy9 s GLU 2038Cb -0.05 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1iy9 s GLU 2038CO -0.03 -0.51 0.24 0.95 -0.54 0.00 0.00 175.26 175.37 1iy9 s THR 2039N 1.61 5.36 0.19 -1.70 -4.23 -0.32 -0.55 115.64 116.00 1iy9 s THR 2039Ca 0.04 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1iy9 s THR 2039Cb -0.18 -3.66 -0.11 0.00 1.34 0.00 0.00 72.50 69.89 1iy9 s THR 2039CO 0.07 0.06 1.44 -0.08 -0.54 0.00 0.00 174.62 175.58 1iy9 h GLU 2040N 2.78 0.25 0.13 3.99 4.57 -1.59 -2.46 114.58 122.25 1iy9 h GLU 2040Ca -0.46 -0.22 -0.22 0.00 -1.18 0.00 0.00 59.36 57.28 1iy9 h GLU 2040Cb 1.17 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1iy9 h GLU 2040CO 0.74 0.90 -1.02 1.49 -1.18 0.00 0.00 179.01 179.93 1iy9 h GLU 2041N 0.16 0.28 -0.21 1.92 4.57 -1.96 -3.40 114.58 115.94 1iy9 h GLU 2041Ca -0.03 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1iy9 h GLU 2041Cb 1.35 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1iy9 h GLU 2041CO 0.12 1.23 0.00 1.19 -1.18 0.00 0.00 179.01 180.37 1iy9 n PHE 2042N -4.06 0.27 -4.04 0.92 3.01 -1.26 -4.93 117.46 107.37 1iy9 n PHE 2042Ca -0.18 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1iy9 n PHE 2042Cb 0.85 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.30 1iy9 n PHE 2042CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iy9 n GLY 2043N 0.59 -0.98 3.76 1.37 0.00 -0.93 -1.34 105.19 107.66 1iy9 n GLY 2043Ca 0.10 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1iy9 n GLY 2043CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iy9 s ASN 2044N -4.00 6.82 -0.02 1.61 0.01 -1.26 -1.17 114.94 116.93 1iy9 s ASN 2044Ca 0.00 2.59 0.02 0.00 -0.71 0.00 0.00 52.86 54.76 1iy9 s ASN 2044Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1iy9 s ASN 2044CO 0.00 -0.53 -0.07 -0.32 -1.51 0.00 0.00 177.10 174.67 1iy9 s MET 2045N -1.21 0.71 -0.18 -0.60 1.75 0.64 -1.32 119.30 119.09 1iy9 s MET 2045Ca 0.52 -0.24 -0.07 0.00 -1.25 0.00 0.00 55.69 54.64 1iy9 s MET 2045Cb -0.39 -0.69 -0.04 0.00 2.84 0.00 0.00 34.83 36.55 1iy9 s MET 2045CO 0.47 0.10 0.06 -1.17 -0.65 0.00 0.00 175.02 173.84 1iy9 s LEU 2046N 0.11 3.81 -0.05 4.11 2.96 -0.40 -0.93 118.68 128.30 1iy9 s LEU 2046Ca -0.01 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 1iy9 s LEU 2046Cb -0.06 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1iy9 s LEU 2046CO -0.00 0.17 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.64 1iy9 s PHE 2047N 0.38 2.55 -0.16 5.38 0.40 -0.38 -0.35 117.98 125.80 1iy9 s PHE 2047Ca 0.03 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 1iy9 s PHE 2047Cb -0.12 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.83 1iy9 s PHE 2047CO 0.00 -0.01 -0.12 -0.51 0.70 0.00 0.00 175.22 175.28 1iy9 s LEU 2048N -0.45 1.78 -1.36 -0.37 1.43 -0.32 -1.57 118.68 117.83 1iy9 s LEU 2048Ca 0.05 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1iy9 s LEU 2048Cb -0.12 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.98 1iy9 s LEU 2048CO 0.01 -0.09 0.89 0.47 0.23 0.00 0.00 176.35 177.86 1iy9 n ASP 2049N 4.77 -2.98 0.00 2.29 8.00 -0.19 -1.91 116.55 126.53 1iy9 n ASP 2049Ca -0.16 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1iy9 n ASP 2049Cb 0.49 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 1iy9 n ASP 2049CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iy9 n GLY 2050N -1.59 0.54 3.52 0.44 0.00 -1.26 -5.00 105.19 101.83 1iy9 n GLY 2050Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1iy9 n GLY 2050CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1iy9 s MET 2051N -0.49 2.54 0.15 1.61 -1.94 -0.80 -4.77 119.30 115.61 1iy9 s MET 2051Ca 0.00 -0.68 -0.31 0.00 -1.71 0.00 0.00 55.69 52.99 1iy9 s MET 2051Cb 0.00 -2.43 -0.10 0.00 2.01 0.00 0.00 34.83 34.30 1iy9 s MET 2051CO 0.00 0.63 1.65 0.08 -0.01 0.00 0.00 175.02 177.37 1iy9 s VAL 2052N -0.80 2.53 -0.15 -6.03 1.01 -1.26 -1.18 120.40 114.52 1iy9 s VAL 2052Ca 0.13 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 1iy9 s VAL 2052Cb -0.11 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1iy9 s VAL 2052CO 0.02 0.02 -0.30 0.80 0.00 0.00 0.00 175.10 175.63 1iy9 n MET 2053N 4.46 0.46 -3.98 2.72 0.00 0.53 -4.90 117.12 116.41 1iy9 n MET 2053Ca 0.15 0.18 -0.10 0.00 0.00 0.00 0.00 57.70 57.93 1iy9 n MET 2053Cb 0.38 -1.30 -0.04 0.00 0.00 0.00 0.00 33.22 32.26 1iy9 n MET 2053CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1iy9 s THR 2054N -2.69 0.00 0.06 1.12 -4.23 -1.22 -5.01 115.64 103.68 1iy9 s THR 2054Ca -0.25 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1iy9 s THR 2054Cb 0.03 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1iy9 s THR 2054CO 0.37 0.00 0.25 -0.94 -0.54 0.00 0.00 174.62 173.76 1iy9 s SER 2055N -3.06 -0.02 0.31 3.99 1.04 -1.26 -1.28 113.70 113.42 1iy9 s SER 2055Ca 0.22 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 1iy9 s SER 2055Cb -0.02 0.34 0.48 0.00 0.10 0.00 0.00 66.02 66.93 1iy9 s SER 2055CO 0.12 -0.65 1.95 -0.33 0.98 0.00 0.00 173.24 175.31 1iy9 h GLU 2056N 3.08 0.97 -0.38 4.02 5.08 -1.00 -2.10 114.58 124.25 1iy9 h GLU 2056Ca -0.33 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 57.82 1iy9 h GLU 2056Cb 1.20 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1iy9 h GLU 2056CO 0.50 0.68 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.72 1iy9 h LYS 2057N 0.99 0.85 -0.04 2.33 3.64 -1.50 -3.37 116.57 119.47 1iy9 h LYS 2057Ca 0.26 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1iy9 h LYS 2057Cb -0.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1iy9 h LYS 2057CO -0.05 1.04 0.00 -0.40 -2.27 0.00 0.00 179.45 177.77 1iy9 n ASP 2058N -4.20 1.86 -0.01 4.20 5.75 -1.21 -4.72 116.55 118.22 1iy9 n ASP 2058Ca -0.02 -1.74 0.21 0.00 -0.01 0.00 0.00 54.79 53.23 1iy9 n ASP 2058Cb 0.46 -0.03 0.69 0.00 -1.03 0.00 0.00 41.12 41.21 1iy9 n ASP 2058CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1iy9 h GLU 2059N 0.33 0.01 -0.56 0.11 -0.00 -1.54 -2.93 114.58 110.01 1iy9 h GLU 2059Ca 0.00 -0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.45 1iy9 h GLU 2059Cb 0.40 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.12 1iy9 h GLU 2059CO 0.00 0.01 0.38 0.27 -0.00 0.00 0.00 179.01 179.67 1iy9 h PHE 2060N 0.01 0.40 0.84 2.06 -5.15 -1.86 -2.85 116.94 110.39 1iy9 h PHE 2060Ca 0.26 0.01 -0.04 0.00 -0.20 0.00 0.00 57.97 58.00 1iy9 h PHE 2060Cb 1.05 -0.13 0.01 0.00 0.22 0.00 0.00 35.95 37.09 1iy9 h PHE 2060CO -0.00 0.19 -0.40 0.28 -2.00 0.00 0.00 178.31 176.38 1iy9 h VAL 2061N 0.38 0.14 -0.03 0.88 2.07 -1.87 -0.77 116.25 117.05 1iy9 h VAL 2061Ca 0.26 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.72 1iy9 h VAL 2061Cb 0.51 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1iy9 h VAL 2061CO -0.07 0.00 -0.05 0.22 0.02 0.00 0.00 177.57 177.69 1iy9 h TYR 2062N -1.18 -0.13 -0.46 1.57 3.20 -1.76 -1.51 116.97 116.70 1iy9 h TYR 2062Ca -0.11 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.79 1iy9 h TYR 2062Cb 0.87 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 1iy9 h TYR 2062CO -0.01 -0.09 0.26 0.45 -1.64 0.00 0.00 178.16 177.14 1iy9 h HIS 2063N -0.08 0.49 -0.25 -3.82 3.86 -1.51 -1.41 115.15 112.43 1iy9 h HIS 2063Ca 0.03 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1iy9 h HIS 2063Cb 0.13 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1iy9 h HIS 2063CO -0.14 0.28 -0.14 0.93 0.86 0.00 0.00 177.93 179.71 1iy9 h GLU 2064N 0.52 0.54 0.00 2.45 5.08 -1.03 -2.72 114.58 119.42 1iy9 h GLU 2064Ca 0.18 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1iy9 h GLU 2064Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1iy9 h GLU 2064CO -0.09 0.81 -0.51 0.52 -1.00 0.00 0.00 179.01 178.74 1iy9 h MET 2065N 0.26 0.00 -0.00 2.33 2.86 -1.20 0.61 114.93 119.77 1iy9 h MET 2065Ca 0.05 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 1iy9 h MET 2065Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1iy9 h MET 2065CO 0.04 0.51 -0.92 0.28 1.06 0.00 0.00 176.91 177.88 1iy9 h VAL 2066N 0.00 1.41 0.00 -2.22 2.07 -1.30 -3.31 116.25 112.90 1iy9 h VAL 2066Ca -0.01 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1iy9 h VAL 2066Cb 1.00 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1iy9 h VAL 2066CO 0.07 0.73 -0.25 0.00 0.02 0.00 0.00 177.57 178.14 1iy9 h ALA 2067N 0.78 0.01 -0.20 1.67 0.00 -1.31 -3.40 119.26 116.80 1iy9 h ALA 2067Ca -0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1iy9 h ALA 2067Cb 1.55 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1iy9 h ALA 2067CO 0.16 0.23 -0.10 0.45 0.00 0.00 0.00 179.25 179.99 1iy9 h HIS 2068N -1.00 0.32 0.16 0.00 -0.00 -1.07 -2.48 115.15 111.08 1iy9 h HIS 2068Ca -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1iy9 h HIS 2068Cb 0.28 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1iy9 h HIS 2068CO -0.08 0.41 -0.08 0.28 -0.00 0.00 0.00 177.93 178.46 1iy9 h VAL 2069N 0.30 0.91 -0.09 2.45 2.07 -1.74 -1.74 116.25 118.41 1iy9 h VAL 2069Ca 0.06 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1iy9 h VAL 2069Cb 0.36 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1iy9 h VAL 2069CO 0.02 0.07 -0.59 1.55 0.02 0.00 0.00 177.57 178.64 1iy9 h PRO 2070N -0.35 0.30 -0.46 1.57 0.13 -1.77 -2.18 132.00 129.24 1iy9 h PRO 2070Ca -0.02 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1iy9 h PRO 2070Cb 0.28 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 1iy9 h PRO 2070CO 0.04 0.80 0.02 -0.07 -0.23 0.00 0.00 178.00 178.56 1iy9 h LEU 2071N 0.22 0.78 -0.63 1.56 3.38 -1.43 -1.74 115.31 117.45 1iy9 h LEU 2071Ca -0.00 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 1iy9 h LEU 2071Cb 1.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1iy9 h LEU 2071CO 0.10 0.88 -0.33 -0.26 0.09 0.00 0.00 178.44 178.92 1iy9 h PHE 2072N 0.66 0.00 -0.20 1.13 -1.00 -1.33 -2.87 116.94 113.32 1iy9 h PHE 2072Ca 0.13 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.80 1iy9 h PHE 2072Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 1iy9 h PHE 2072CO 0.04 0.33 -0.35 1.15 -1.61 0.00 0.00 178.31 177.86 1iy9 h THR 2073N 0.00 1.29 -3.35 -1.55 2.02 -1.17 -3.42 112.91 106.73 1iy9 h THR 2073Ca -0.00 -1.45 -0.54 0.00 0.77 0.00 0.00 66.41 65.18 1iy9 h THR 2073Cb 1.01 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1iy9 h THR 2073CO 0.04 0.45 0.44 -2.28 0.37 0.00 0.00 175.52 174.54 1iy9 s HIS 2074N -4.30 3.60 0.56 3.16 5.65 -0.67 -4.76 115.29 118.52 1iy9 s HIS 2074Ca -0.06 1.64 0.25 0.00 0.25 0.00 0.00 55.06 57.14 1iy9 s HIS 2074Cb 0.13 -3.16 1.64 0.00 -1.18 0.00 0.00 32.58 30.01 1iy9 s HIS 2074CO 0.80 -0.16 2.21 -1.00 -0.65 0.00 0.00 174.74 175.94 1iy9 h PRO 2075N 6.89 0.00 -0.69 2.88 0.13 -1.82 -3.38 132.00 136.00 1iy9 h PRO 2075Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.68 1iy9 h PRO 2075Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1iy9 h PRO 2075CO 0.78 0.01 -0.34 1.21 -0.23 0.00 0.00 178.00 179.43 1iy9 s ASN 2076N -6.43 -1.02 0.08 1.44 3.84 -1.26 -5.12 114.94 106.46 1iy9 s ASN 2076Ca -0.05 -1.04 -0.30 0.00 0.21 0.00 0.00 52.86 51.68 1iy9 s ASN 2076Cb 0.16 1.32 -0.06 0.00 -0.55 0.00 0.00 41.25 42.12 1iy9 s ASN 2076CO 0.59 -0.06 1.14 -2.84 -2.79 0.00 0.00 177.10 173.14 1iy9 s PRO 2077N 1.15 4.49 0.00 0.43 0.02 -1.26 -4.92 135.00 134.91 1iy9 s PRO 2077Ca 0.25 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1iy9 s PRO 2077Cb 0.03 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1iy9 s PRO 2077CO -0.08 -0.15 0.00 0.39 -0.33 0.00 0.00 177.00 176.83 1iy9 n GLU 2078N 3.57 1.73 -3.98 5.54 1.02 -1.26 -2.78 120.64 124.48 1iy9 n GLU 2078Ca 0.07 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 1iy9 n GLU 2078Cb 0.47 -0.84 -0.16 0.00 -0.02 0.00 0.00 31.44 30.90 1iy9 n GLU 2078CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1iy9 s HIS 2079N -1.67 2.47 0.01 -0.32 3.76 -1.26 -0.19 115.29 118.08 1iy9 s HIS 2079Ca 0.00 -1.70 0.08 0.00 -0.15 0.00 0.00 55.06 53.29 1iy9 s HIS 2079Cb 0.00 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.03 1iy9 s HIS 2079CO 0.00 -0.76 -0.24 0.08 -0.85 0.00 0.00 174.74 172.97 1iy9 s VAL 2080N 1.38 1.91 -0.05 -0.90 1.01 -0.94 -0.27 120.40 122.53 1iy9 s VAL 2080Ca -0.03 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 60.84 1iy9 s VAL 2080Cb -0.17 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1iy9 s VAL 2080CO -0.07 0.42 -0.24 -0.22 0.00 0.00 0.00 175.10 174.98 1iy9 s LEU 2081N -0.89 2.06 -0.20 3.92 2.96 -0.54 -0.69 118.68 125.31 1iy9 s LEU 2081Ca 0.10 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1iy9 s LEU 2081Cb -0.09 -1.34 0.03 0.00 0.50 0.00 0.00 46.19 45.29 1iy9 s LEU 2081CO 0.01 0.24 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.41 1iy9 s VAL 2082N -0.18 2.07 -0.25 1.68 1.01 -0.02 -0.34 120.40 124.36 1iy9 s VAL 2082Ca -0.03 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 1iy9 s VAL 2082Cb -0.13 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1iy9 s VAL 2082CO 0.03 0.41 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1iy9 s VAL 2083N 1.25 4.63 0.00 2.92 1.01 -0.30 -1.22 120.40 128.68 1iy9 s VAL 2083Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1iy9 s VAL 2083Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1iy9 s VAL 2083CO -0.11 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1iy9 n GLY 2084N 4.88 0.44 2.89 4.51 0.00 0.46 -2.14 105.19 116.21 1iy9 n GLY 2084Ca -0.16 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 1iy9 n GLY 2084CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iy9 n GLY 2085N -2.54 5.55 0.33 -0.02 0.00 -1.26 -4.81 105.19 102.43 1iy9 n GLY 2085Ca 0.00 -2.48 0.20 0.00 0.00 0.00 0.00 46.02 43.75 1iy9 n GLY 2085CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 2086N 3.13 1.86 2.00 -0.02 0.00 -1.93 0.13 103.07 108.23 1iy9 h GLY 2086Ca 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1iy9 h GLY 2086CO 1.41 -0.43 0.00 2.09 0.00 0.00 0.00 176.54 179.61 1iy9 n ASP 2087N -5.08 0.06 -0.07 0.19 5.68 -1.26 -3.95 116.55 112.12 1iy9 n ASP 2087Ca 0.28 0.52 -0.01 0.00 -0.50 0.00 0.00 54.79 55.08 1iy9 n ASP 2087Cb 0.88 -0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1iy9 n ASP 2087CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iy9 n GLY 2088N -0.24 0.33 0.25 6.12 0.00 0.44 -2.70 105.19 109.40 1iy9 n GLY 2088Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1iy9 n GLY 2088CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iy9 h GLY 2089N 0.00 0.93 1.28 -0.02 0.00 -1.77 -1.16 103.07 102.33 1iy9 h GLY 2089Ca -0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 47.33 46.40 1iy9 h GLY 2089CO 0.03 0.73 -0.17 -2.08 0.00 0.00 0.00 176.54 175.05 1iy9 h VAL 2090N 0.68 1.27 -0.54 4.60 2.07 -1.88 -2.97 116.25 119.47 1iy9 h VAL 2090Ca 0.10 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1iy9 h VAL 2090Cb 0.70 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1iy9 h VAL 2090CO 0.05 0.44 0.31 0.40 0.02 0.00 0.00 177.57 178.78 1iy9 h ILE 2091N 0.74 1.18 -0.89 4.57 1.08 -1.85 0.66 117.51 123.00 1iy9 h ILE 2091Ca 0.11 -0.43 0.12 0.00 -0.39 0.00 0.00 64.86 64.27 1iy9 h ILE 2091Cb 0.69 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 1iy9 h ILE 2091CO 0.05 0.19 0.58 -0.09 -0.69 0.00 0.00 178.15 178.18 1iy9 h ARG 2092N 0.73 0.78 0.09 2.37 1.12 -1.10 -1.63 114.38 116.74 1iy9 h ARG 2092Ca 0.19 -0.05 -0.27 0.00 -1.11 0.00 0.00 59.98 58.74 1iy9 h ARG 2092Cb 0.03 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 29.83 1iy9 h ARG 2092CO -0.03 0.52 -1.16 0.93 -3.11 0.00 0.00 179.97 177.12 1iy9 h GLU 2093N 0.81 0.44 -0.92 0.20 4.39 -1.19 -3.26 114.58 115.05 1iy9 h GLU 2093Ca 0.43 -0.60 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1iy9 h GLU 2093Cb 0.55 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1iy9 h GLU 2093CO -0.20 1.25 0.60 0.82 -1.16 0.00 0.00 179.01 180.32 1iy9 h ILE 2094N 0.19 1.24 0.00 3.13 2.04 -0.17 -2.34 117.51 121.61 1iy9 h ILE 2094Ca -0.14 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1iy9 h ILE 2094Cb 1.84 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1iy9 h ILE 2094CO 0.21 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.77 1iy9 n LEU 2095N -4.38 0.00 -0.00 1.44 4.77 -0.68 -1.77 117.00 116.38 1iy9 n LEU 2095Ca 0.11 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.73 1iy9 n LEU 2095Cb 0.03 -0.50 0.76 0.00 -2.33 0.00 0.00 43.42 41.38 1iy9 n LEU 2095CO 0.37 -0.36 1.02 0.29 -1.33 0.00 0.00 177.39 177.38 1iy9 n LYS 2096N -1.50 0.42 -3.50 3.23 5.02 -0.88 -4.59 118.16 116.36 1iy9 n LYS 2096Ca 0.02 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1iy9 n LYS 2096Cb 0.09 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 1iy9 n LYS 2096CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1iy9 s HIS 2097N -2.58 3.25 0.41 2.13 3.76 -0.73 -4.97 115.29 116.56 1iy9 s HIS 2097Ca 0.28 -0.86 0.10 0.00 -0.15 0.00 0.00 55.06 54.43 1iy9 s HIS 2097Cb 0.20 -2.68 0.92 0.00 1.11 0.00 0.00 32.58 32.13 1iy9 s HIS 2097CO 0.46 -0.67 1.98 -1.35 -0.85 0.00 0.00 174.74 174.31 1iy9 h PRO 2098N 8.57 0.52 -0.01 8.40 0.11 -1.87 -2.18 132.00 145.55 1iy9 h PRO 2098Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1iy9 h PRO 2098Cb 1.11 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1iy9 h PRO 2098CO 0.74 0.34 0.02 0.66 -0.21 0.00 0.00 178.00 179.55 1iy9 h SER 2099N 0.53 0.00 -2.96 -2.05 4.64 -1.94 -3.41 113.55 108.36 1iy9 h SER 2099Ca 0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.02 1iy9 h SER 2099Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1iy9 h SER 2099CO -0.08 0.00 1.01 -0.69 -0.87 0.00 0.00 176.83 176.20 1iy9 s VAL 2100N -4.38 4.01 -0.04 0.95 1.01 -0.82 -4.13 120.40 117.00 1iy9 s VAL 2100Ca -0.05 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.92 1iy9 s VAL 2100Cb 0.14 -3.96 -0.32 0.00 0.00 0.00 0.00 36.38 32.24 1iy9 s VAL 2100CO 0.47 -0.34 0.82 0.11 0.00 0.00 0.00 175.10 176.17 1iy9 h LYS 2101N 9.49 0.38 -2.70 2.72 1.79 -0.83 -3.47 116.57 123.94 1iy9 h LYS 2101Ca -0.29 -0.64 -0.12 0.00 -2.18 0.00 0.00 60.65 57.41 1iy9 h LYS 2101Cb 1.12 0.24 -0.26 0.00 -1.58 0.00 0.00 32.23 31.75 1iy9 h LYS 2101CO 1.01 1.31 -0.30 0.21 -1.08 0.00 0.00 179.45 180.59 1iy9 s LYS 2102N -2.51 0.39 -0.26 3.15 2.20 -0.93 -4.77 119.74 117.02 1iy9 s LYS 2102Ca -0.14 0.71 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1iy9 s LYS 2102Cb 0.03 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1iy9 s LYS 2102CO 0.86 -0.13 -0.06 0.00 -0.36 0.00 0.00 175.35 175.65 1iy9 s ALA 2103N 1.11 2.70 -0.05 3.13 0.00 -0.15 -2.20 121.76 126.30 1iy9 s ALA 2103Ca -0.07 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.21 1iy9 s ALA 2103Cb -0.07 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 1iy9 s ALA 2103CO -0.09 -0.91 0.40 0.99 0.00 0.00 0.00 175.76 176.15 1iy9 s THR 2104N 1.29 5.11 -0.14 0.00 2.01 0.13 -1.47 115.64 122.57 1iy9 s THR 2104Ca -0.01 0.81 0.02 0.00 0.31 0.00 0.00 61.69 62.82 1iy9 s THR 2104Cb -0.17 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1iy9 s THR 2104CO -0.04 0.50 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.96 1iy9 s LEU 2105N -0.51 2.19 -0.14 4.42 2.96 -0.07 -0.84 118.68 126.69 1iy9 s LEU 2105Ca 0.23 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1iy9 s LEU 2105Cb -0.16 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.08 1iy9 s LEU 2105CO 0.11 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.38 1iy9 s VAL 2106N 0.81 1.63 -0.05 1.68 1.01 -0.36 -0.09 120.40 125.04 1iy9 s VAL 2106Ca -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1iy9 s VAL 2106Cb -0.15 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1iy9 s VAL 2106CO -0.01 0.47 0.11 -0.62 0.00 0.00 0.00 175.10 175.05 1iy9 s ASP 2107N 1.27 -0.09 0.31 3.32 -1.08 -0.87 -0.40 116.67 119.11 1iy9 s ASP 2107Ca 0.01 0.23 0.07 0.00 -0.52 0.00 0.00 52.55 52.34 1iy9 s ASP 2107Cb -0.14 0.18 0.51 0.00 -1.46 0.00 0.00 42.92 42.01 1iy9 s ASP 2107CO -0.07 -0.09 1.74 0.16 0.52 0.00 0.00 175.17 177.43 1iy9 h ILE 2108N 5.51 1.29 -3.27 4.11 3.07 -1.68 -1.97 117.51 124.56 1iy9 h ILE 2108Ca -0.34 -1.38 -0.71 0.00 1.55 0.00 0.00 64.86 63.98 1iy9 h ILE 2108Cb 1.17 1.59 -0.20 0.00 -0.27 0.00 0.00 36.82 39.10 1iy9 h ILE 2108CO 0.44 0.42 -0.15 -0.62 -1.05 0.00 0.00 178.15 177.19 1iy9 s ASP 2109N -6.87 6.18 0.47 2.16 -1.08 -1.26 -4.63 116.67 111.64 1iy9 s ASP 2109Ca -0.05 -1.14 0.26 0.00 -0.52 0.00 0.00 52.55 51.11 1iy9 s ASP 2109Cb 0.14 -2.24 1.01 0.00 -1.46 0.00 0.00 42.92 40.37 1iy9 s ASP 2109CO 0.77 -0.77 1.86 1.23 0.52 0.00 0.00 175.17 178.77 1iy9 h GLY 2110N 9.22 0.00 2.00 2.66 0.00 -1.96 -2.85 103.07 112.14 1iy9 h GLY 2110Ca -0.28 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1iy9 h GLY 2110CO 0.92 0.00 -0.16 0.50 0.00 0.00 0.00 176.54 177.80 1iy9 h LYS 2111N 0.00 0.00 -0.24 4.80 1.57 -1.98 0.09 116.57 120.81 1iy9 h LYS 2111Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1iy9 h LYS 2111Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1iy9 h LYS 2111CO 0.02 0.16 -0.44 0.28 -0.57 0.00 0.00 179.45 178.90 1iy9 h VAL 2112N 0.00 1.30 -0.38 0.50 2.07 -1.87 -1.54 116.25 116.33 1iy9 h VAL 2112Ca -0.00 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.80 1iy9 h VAL 2112Cb 0.63 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1iy9 h VAL 2112CO 0.02 0.52 -0.04 0.40 0.02 0.00 0.00 177.57 178.50 1iy9 h ILE 2113N 0.46 1.27 0.30 4.57 2.04 -1.50 -0.97 117.51 123.68 1iy9 h ILE 2113Ca 0.01 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1iy9 h ILE 2113Cb 1.04 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1iy9 h ILE 2113CO 0.10 0.36 -0.21 -0.08 0.00 0.00 0.00 178.15 178.32 1iy9 h GLU 2114N 0.52 -0.48 0.00 2.37 4.81 -0.94 -1.45 114.58 119.41 1iy9 h GLU 2114Ca 0.10 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1iy9 h GLU 2114Cb 0.53 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1iy9 h GLU 2114CO 0.03 -0.32 0.00 1.88 -0.73 0.00 0.00 179.01 179.87 1iy9 h TYR 2115N -0.50 0.00 0.06 0.92 -1.99 -1.26 -2.26 116.97 111.94 1iy9 h TYR 2115Ca -0.02 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.46 1iy9 h TYR 2115Cb 0.43 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.16 1iy9 h TYR 2115CO -0.11 0.00 -1.07 0.77 -0.00 0.00 0.00 178.16 177.75 1iy9 h SER 2116N 0.00 0.52 -0.64 3.88 0.02 -0.99 -0.34 113.55 116.00 1iy9 h SER 2116Ca 0.00 -0.47 -0.07 0.00 -0.84 0.00 0.00 61.79 60.41 1iy9 h SER 2116Cb 0.70 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1iy9 h SER 2116CO 0.00 1.30 0.12 0.11 -1.14 0.00 0.00 176.83 177.22 1iy9 h LYS 2117N 0.18 1.06 -0.17 3.45 1.57 -1.04 0.17 116.57 121.78 1iy9 h LYS 2117Ca -0.11 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.27 1iy9 h LYS 2117Cb 1.74 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1iy9 h LYS 2117CO 0.18 0.97 -0.40 -0.22 -0.57 0.00 0.00 179.45 179.41 1iy9 h LYS 2118N 0.97 0.56 0.00 3.15 3.64 -1.36 -3.32 116.57 120.21 1iy9 h LYS 2118Ca 0.20 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1iy9 h LYS 2118Cb 0.41 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1iy9 h LYS 2118CO 0.01 1.00 -0.82 1.19 -2.27 0.00 0.00 179.45 178.56 1iy9 n PHE 2119N -4.27 0.00 -2.80 1.91 3.01 -0.14 -4.60 117.46 110.56 1iy9 n PHE 2119Ca -0.06 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.15 1iy9 n PHE 2119Cb 0.54 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.90 1iy9 n PHE 2119CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1iy9 n LEU 2120N -1.45 3.83 -0.23 4.37 4.77 0.57 -4.86 117.00 124.00 1iy9 n LEU 2120Ca 0.00 -5.27 0.05 0.00 -0.03 0.00 0.00 56.01 50.76 1iy9 n LEU 2120Cb 0.19 -0.28 0.30 0.00 -2.33 0.00 0.00 43.42 41.30 1iy9 n LEU 2120CO 0.20 2.24 1.23 1.55 -1.33 0.00 0.00 177.39 181.28 1iy9 h PRO 2121N 2.85 0.86 0.00 3.23 0.13 -1.64 0.12 132.00 137.56 1iy9 h PRO 2121Ca 0.16 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1iy9 h PRO 2121Cb 0.76 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1iy9 h PRO 2121CO 0.76 0.57 0.00 -1.13 -0.23 0.00 0.00 178.00 177.97 1iy9 n SER 2122N -4.47 0.00 -0.05 1.44 3.41 -1.26 -0.19 113.62 112.49 1iy9 n SER 2122Ca 0.11 0.49 -0.09 0.00 -0.26 0.00 0.00 58.87 59.12 1iy9 n SER 2122Cb 0.19 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 1iy9 n SER 2122CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1iy9 n ILE 2123N -1.49 0.60 1.19 -1.33 5.41 -0.29 -4.75 119.36 118.70 1iy9 n ILE 2123Ca 0.02 -0.20 0.13 0.00 1.00 0.00 0.00 62.75 63.70 1iy9 n ILE 2123Cb 0.11 -1.16 0.25 0.00 -0.71 0.00 0.00 39.64 38.12 1iy9 n ILE 2123CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1iy9 n ALA 2124N -3.07 2.75 0.04 -1.39 0.00 0.28 -3.38 120.51 115.74 1iy9 n ALA 2124Ca -0.20 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.69 1iy9 n ALA 2124Cb 0.68 -0.96 0.13 0.00 0.00 0.00 0.00 19.45 19.30 1iy9 n ALA 2124CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iy9 n GLY 2125N 1.31 -0.57 0.84 0.00 0.00 0.73 -2.43 105.19 105.07 1iy9 n GLY 2125Ca 0.15 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1iy9 n GLY 2125CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1iy9 n LYS 2126N -1.66 1.94 0.17 1.61 4.76 -1.26 -4.42 118.16 119.30 1iy9 n LYS 2126Ca -0.00 -1.75 0.13 0.00 -2.87 0.00 0.00 58.31 53.82 1iy9 n LYS 2126Cb 0.02 -1.41 0.59 0.00 -1.84 0.00 0.00 35.03 32.39 1iy9 n LYS 2126CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1iy9 h LEU 2127N 4.14 0.00 -1.06 -0.35 3.38 -1.81 -1.59 115.31 118.01 1iy9 h LEU 2127Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iy9 h LEU 2127Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1iy9 h LEU 2127CO 0.00 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.63 1iy9 n ASP 2128N -2.40 1.61 -4.76 -0.43 5.68 -1.26 -4.79 116.55 110.19 1iy9 n ASP 2128Ca 0.00 -1.62 -0.40 0.00 -0.50 0.00 0.00 54.79 52.27 1iy9 n ASP 2128Cb 0.17 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 1iy9 n ASP 2128CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1iy9 s ASP 2129N -1.76 6.99 0.55 -1.12 -1.08 -0.60 -4.95 116.67 114.70 1iy9 s ASP 2129Ca 0.35 2.47 0.24 0.00 -0.52 0.00 0.00 52.55 55.08 1iy9 s ASP 2129Cb 0.19 -2.64 1.45 0.00 -1.46 0.00 0.00 42.92 40.46 1iy9 s ASP 2129CO 0.30 -0.36 2.08 1.55 0.52 0.00 0.00 175.17 179.26 1iy9 h PRO 2130N 3.53 0.00 0.00 4.34 0.13 -1.91 -1.03 132.00 137.06 1iy9 h PRO 2130Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1iy9 h PRO 2130Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1iy9 h PRO 2130CO 0.66 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.97 1iy9 n ARG 2131N -4.24 0.12 -3.79 0.86 1.74 -1.26 -4.83 116.66 105.26 1iy9 n ARG 2131Ca 0.03 0.15 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 1iy9 n ARG 2131Cb 0.36 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.09 1iy9 n ARG 2131CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1iy9 s VAL 2132N -3.07 5.37 -0.32 1.55 1.01 -0.39 -0.97 120.40 123.58 1iy9 s VAL 2132Ca 0.11 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1iy9 s VAL 2132Cb 0.15 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 33.12 1iy9 s VAL 2132CO 0.51 0.54 0.06 -0.62 0.00 0.00 0.00 175.10 175.59 1iy9 s ASP 2133N -1.25 4.39 -0.15 3.32 2.15 -0.54 -4.84 116.67 119.75 1iy9 s ASP 2133Ca 0.20 -1.85 -0.21 0.00 0.43 0.00 0.00 52.55 51.12 1iy9 s ASP 2133Cb -0.13 -1.29 -0.03 0.00 -0.30 0.00 0.00 42.92 41.17 1iy9 s ASP 2133CO 0.09 -0.38 0.61 -0.69 -0.17 0.00 0.00 175.17 174.64 1iy9 s VAL 2134N 1.23 5.06 -0.10 1.11 1.01 -1.26 -0.89 120.40 126.56 1iy9 s VAL 2134Ca 0.09 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.27 1iy9 s VAL 2134Cb -0.18 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.28 1iy9 s VAL 2134CO -0.15 0.19 -0.13 -1.10 0.00 0.00 0.00 175.10 173.92 1iy9 s GLN 2135N 1.40 1.92 -0.77 2.72 -0.21 0.88 -4.96 119.66 120.63 1iy9 s GLN 2135Ca 0.30 -0.45 -0.19 0.00 0.02 0.00 0.00 55.36 55.04 1iy9 s GLN 2135Cb -0.16 -1.70 0.11 0.00 1.00 0.00 0.00 33.01 32.27 1iy9 s GLN 2135CO 0.12 -0.10 0.96 0.08 -2.12 0.00 0.00 175.29 174.24 1iy9 s VAL 2136N 1.10 4.70 0.27 1.09 1.01 -1.26 -2.06 120.40 125.26 1iy9 s VAL 2136Ca -0.05 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 1iy9 s VAL 2136Cb -0.14 -4.67 0.01 0.00 0.00 0.00 0.00 36.38 31.58 1iy9 s VAL 2136CO -0.02 -1.38 0.64 -0.62 0.00 0.00 0.00 175.10 173.72 1iy9 s ASP 2137N 3.54 -0.17 0.00 3.32 2.15 -0.74 -4.91 116.67 119.85 1iy9 s ASP 2137Ca 0.24 -0.76 0.00 0.00 0.43 0.00 0.00 52.55 52.46 1iy9 s ASP 2137Cb -0.13 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.18 1iy9 s ASP 2137CO -0.01 -1.29 0.84 -0.67 -0.17 0.00 0.00 175.17 173.86 1iy9 n ASP 2138N -0.49 0.00 0.00 -0.34 -0.08 -1.26 -2.58 116.55 111.80 1iy9 n ASP 2138Ca -0.03 0.84 0.00 0.00 -1.51 0.00 0.00 54.79 54.08 1iy9 n ASP 2138Cb 0.60 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.67 1iy9 n ASP 2138CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1iy9 n GLY 2139N -0.99 3.02 0.22 0.27 0.00 -1.26 -4.28 105.19 102.17 1iy9 n GLY 2139Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 1iy9 n GLY 2139CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iy9 h PHE 2140N 0.00 1.08 -0.75 1.61 -1.00 -1.92 -0.46 116.94 115.51 1iy9 h PHE 2140Ca 0.00 -0.50 -0.04 0.00 2.81 0.00 0.00 57.97 60.24 1iy9 h PHE 2140Cb 0.00 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.37 1iy9 h PHE 2140CO 0.00 1.33 0.31 0.52 -1.61 0.00 0.00 178.31 178.86 1iy9 h MET 2141N 0.52 1.10 -0.45 1.51 2.86 -1.85 0.03 114.93 118.66 1iy9 h MET 2141Ca -0.07 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1iy9 h MET 2141Cb 1.47 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1iy9 h MET 2141CO 0.17 0.88 0.19 1.25 1.06 0.00 0.00 176.91 180.46 1iy9 h HIS 2142N 1.08 0.68 -0.54 -0.22 6.17 -1.85 -1.33 115.15 119.14 1iy9 h HIS 2142Ca 0.25 -0.05 -0.12 0.00 0.71 0.00 0.00 60.37 61.17 1iy9 h HIS 2142Cb 0.19 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 29.89 1iy9 h HIS 2142CO 0.02 0.58 -0.13 0.82 0.71 0.00 0.00 177.93 179.92 1iy9 h ILE 2143N 0.59 1.27 -0.46 6.26 2.04 -0.72 -2.86 117.51 123.61 1iy9 h ILE 2143Ca 0.15 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1iy9 h ILE 2143Cb 0.18 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1iy9 h ILE 2143CO -0.01 0.46 0.31 0.00 0.00 0.00 0.00 178.15 178.90 1iy9 h ALA 2144N 0.92 1.85 -0.52 1.87 0.00 -0.60 -2.16 119.26 120.62 1iy9 h ALA 2144Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iy9 h ALA 2144Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1iy9 h ALA 2144CO 0.05 0.09 0.00 1.63 0.00 0.00 0.00 179.25 181.02 1iy9 n LYS 2145N -4.48 3.16 -4.29 0.00 5.02 -0.54 -4.92 118.16 112.11 1iy9 n LYS 2145Ca 0.05 -2.26 -0.32 0.00 -2.02 0.00 0.00 58.31 53.76 1iy9 n LYS 2145Cb 0.19 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 1iy9 n LYS 2145CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1iy9 s SER 2146N -0.81 4.89 -0.05 4.39 0.01 -0.81 -5.05 113.70 116.27 1iy9 s SER 2146Ca 0.41 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 1iy9 s SER 2146Cb 0.26 -1.18 0.03 0.00 0.21 0.00 0.00 66.02 65.34 1iy9 s SER 2146CO 0.20 0.25 0.02 -0.70 0.41 0.00 0.00 173.24 173.41 1iy9 s GLU 2147N -1.76 0.28 -0.01 12.44 2.12 -1.26 -3.74 118.70 126.78 1iy9 s GLU 2147Ca 0.20 0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.72 1iy9 s GLU 2147Cb -0.11 -0.65 0.00 0.00 0.26 0.00 0.00 34.13 33.62 1iy9 s GLU 2147CO 0.12 -0.25 0.00 0.27 -0.54 0.00 0.00 175.26 174.86 1iy9 n ASN 2148N 4.85 -0.03 -0.02 -1.70 6.94 0.14 -4.84 115.26 120.60 1iy9 n ASN 2148Ca -0.12 -0.01 -0.01 0.00 -0.02 0.00 0.00 54.58 54.42 1iy9 n ASN 2148Cb 0.50 -0.01 -0.05 0.00 -2.36 0.00 0.00 39.78 37.86 1iy9 n ASN 2148CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1iy9 n GLN 2149N -0.60 2.36 -4.73 -3.83 6.02 -0.10 -4.65 117.38 111.84 1iy9 n GLN 2149Ca -0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 1iy9 n GLN 2149Cb 0.00 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 29.98 1iy9 n GLN 2149CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1iy9 s TYR 2150N -2.21 2.48 -0.07 1.08 1.51 -0.96 -4.81 117.35 114.38 1iy9 s TYR 2150Ca -0.03 -0.31 -0.22 0.00 -1.01 0.00 0.00 57.07 55.50 1iy9 s TYR 2150Cb 0.02 -1.44 -0.30 0.00 -0.11 0.00 0.00 41.96 40.13 1iy9 s TYR 2150CO 0.24 0.22 0.83 -0.44 -1.11 0.00 0.00 175.55 175.28 1iy9 h ASP 2151N 4.61 0.38 -3.67 2.29 3.32 -0.98 0.16 116.42 122.54 1iy9 h ASP 2151Ca -0.47 -0.94 -0.38 0.00 0.02 0.00 0.00 57.03 55.25 1iy9 h ASP 2151Cb 1.15 -0.12 -0.32 0.00 0.22 0.00 0.00 39.33 40.26 1iy9 h ASP 2151CO 0.46 1.36 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.88 1iy9 s VAL 2152N -2.40 0.52 -0.20 -1.35 1.01 -1.21 -0.79 120.40 115.99 1iy9 s VAL 2152Ca -0.15 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1iy9 s VAL 2152Cb 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.93 1iy9 s VAL 2152CO 0.80 0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 175.37 1iy9 s ILE 2153N 0.47 1.57 -0.26 2.22 1.01 -0.50 -1.46 121.20 124.23 1iy9 s ILE 2153Ca -0.06 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1iy9 s ILE 2153Cb -0.10 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1iy9 s ILE 2153CO 0.00 0.14 0.24 0.00 0.00 0.00 0.00 174.94 175.32 1iy9 s MET 2154N 1.43 4.01 -0.03 2.79 0.23 0.54 -1.79 119.30 126.47 1iy9 s MET 2154Ca -0.01 -0.18 0.00 0.00 -1.03 0.00 0.00 55.69 54.47 1iy9 s MET 2154Cb -0.16 -3.62 -0.03 0.00 -1.53 0.00 0.00 34.83 29.48 1iy9 s MET 2154CO -0.08 -0.14 0.00 0.08 -2.03 0.00 0.00 175.02 172.85 1iy9 s VAL 2155N 1.64 4.20 -0.03 5.16 1.01 -0.06 -1.15 120.40 131.16 1iy9 s VAL 2155Ca 0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1iy9 s VAL 2155Cb -0.15 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 1iy9 s VAL 2155CO 0.09 0.46 -0.01 -0.78 0.00 0.00 0.00 175.10 174.86 1iy9 h ASP 2156N 4.63 0.00 -2.96 3.32 3.58 -1.74 -3.33 116.42 119.93 1iy9 h ASP 2156Ca -0.49 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.31 1iy9 h ASP 2156Cb 1.18 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.16 1iy9 h ASP 2156CO 0.56 0.16 -0.53 -0.55 -2.88 0.00 0.00 179.24 176.00 1iy9 s SER 2157N -3.83 6.06 0.00 2.28 0.15 -1.26 -4.45 113.70 112.65 1iy9 s SER 2157Ca -0.01 0.23 0.25 0.00 0.70 0.00 0.00 55.95 57.13 1iy9 s SER 2157Cb 0.00 -1.82 0.49 0.00 -1.71 0.00 0.00 66.02 62.98 1iy9 s SER 2157CO 0.01 0.24 1.42 1.07 1.20 0.00 0.00 173.24 177.19 1iy9 n THR 2158N 0.86 0.00 -4.03 6.45 5.66 -1.26 -4.78 114.28 117.18 1iy9 n THR 2158Ca -0.10 -0.39 -0.31 0.00 -3.05 0.00 0.00 64.05 60.20 1iy9 n THR 2158Cb 0.52 1.11 -0.15 0.00 -1.55 0.00 0.00 70.33 70.26 1iy9 n THR 2158CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1iy9 s GLU 2159N -2.05 1.83 0.30 1.09 8.01 -1.26 -4.99 118.70 121.64 1iy9 s GLU 2159Ca 0.31 -1.55 -0.29 0.00 0.01 0.00 0.00 54.97 53.45 1iy9 s GLU 2159Cb 0.20 -2.98 -0.10 0.00 -4.31 0.00 0.00 34.13 26.93 1iy9 s GLU 2159CO 0.34 -0.74 1.44 -1.25 0.01 0.00 0.00 175.26 175.05 1iy9 s PRO 2160N 1.05 4.24 0.03 0.39 0.04 -1.26 -5.04 135.00 134.44 1iy9 s PRO 2160Ca 0.00 2.37 0.06 0.00 0.04 0.00 0.00 61.00 63.48 1iy9 s PRO 2160Cb -0.19 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1iy9 s PRO 2160CO -0.07 -0.41 -0.17 0.08 0.04 0.00 0.00 177.00 176.46 1iy9 s VAL 2161N -0.51 1.38 0.00 -0.36 1.01 -1.26 -4.92 120.40 115.74 1iy9 s VAL 2161Ca 0.56 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1iy9 s VAL 2161Cb -0.43 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1iy9 s VAL 2161CO 0.50 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1iy9 n GLY 2162N 2.05 0.26 3.55 4.51 0.00 -1.26 -4.85 105.19 109.47 1iy9 n GLY 2162Ca -0.17 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 43.98 1iy9 n GLY 2162CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1iy9 n PRO 2163N 0.56 0.72 -1.77 1.61 -0.02 -1.26 -4.83 135.00 130.00 1iy9 n PRO 2163Ca 0.00 -0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 60.53 1iy9 n PRO 2163Cb 0.00 -3.56 -0.01 0.00 -0.02 0.00 0.00 33.50 29.92 1iy9 n PRO 2163CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iy9 n ALA 2164N 17.53 6.31 0.97 3.55 0.00 -1.26 -4.51 120.51 143.09 1iy9 n ALA 2164Ca 0.44 -3.90 0.13 0.00 0.00 0.00 0.00 53.44 50.11 1iy9 n ALA 2164Cb 0.46 -3.26 0.59 0.00 0.00 0.00 0.00 19.45 17.25 1iy9 n ALA 2164CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iy9 n VAL 2165N 3.75 0.13 -1.94 0.00 0.31 -1.26 -4.39 118.33 114.94 1iy9 n VAL 2165Ca 0.59 0.03 -0.39 0.00 -0.01 0.00 0.00 64.34 64.56 1iy9 n VAL 2165Cb 0.31 -0.57 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 1iy9 n VAL 2165CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1iy9 n ASN 2166N -1.48 3.66 -1.23 4.52 3.02 -1.26 -4.60 115.26 117.89 1iy9 n ASN 2166Ca 0.07 -2.79 0.10 0.00 -0.03 0.00 0.00 54.58 51.93 1iy9 n ASN 2166Cb 0.31 -1.59 0.29 0.00 -0.61 0.00 0.00 39.78 38.18 1iy9 n ASN 2166CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1iy9 n LEU 2167N 9.37 3.58 -4.67 3.41 -0.00 -1.26 -3.90 117.00 123.53 1iy9 n LEU 2167Ca 0.49 -1.79 -0.31 0.00 -0.00 0.00 0.00 56.01 54.40 1iy9 n LEU 2167Cb 0.43 -0.45 0.17 0.00 -0.00 0.00 0.00 43.42 43.57 1iy9 n LEU 2167CO 0.83 0.85 0.67 -0.36 -0.00 0.00 0.00 177.39 179.38 1iy9 s PHE 2168N -1.23 1.67 0.20 1.96 0.40 -1.26 -4.69 117.98 115.03 1iy9 s PHE 2168Ca 0.44 1.73 -0.33 0.00 -0.60 0.00 0.00 56.93 58.17 1iy9 s PHE 2168Cb 0.23 -3.30 -0.13 0.00 0.51 0.00 0.00 43.02 40.33 1iy9 s PHE 2168CO 0.28 -2.82 1.61 2.41 0.70 0.00 0.00 175.22 177.41 1iy9 n THR 2169N -4.23 0.20 -4.09 0.64 -1.04 -1.26 0.19 114.28 104.67 1iy9 n THR 2169Ca 0.11 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.05 61.75 1iy9 n THR 2169Cb 0.52 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 1iy9 n THR 2169CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1iy9 n LYS 2170N 3.34 -3.44 0.00 -2.82 0.00 -1.26 -4.58 118.16 109.40 1iy9 n LYS 2170Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 58.31 58.87 1iy9 n LYS 2170Cb 0.32 -4.91 0.00 0.00 0.00 0.00 0.00 35.03 30.43 1iy9 n LYS 2170CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iy9 n GLY 2171N -1.66 0.00 0.39 3.14 0.00 0.50 -2.94 105.19 104.62 1iy9 n GLY 2171Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1iy9 n GLY 2171CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iy9 h PHE 2172N 0.00 -1.30 -0.65 1.61 3.57 -1.85 0.17 116.94 118.49 1iy9 h PHE 2172Ca 0.00 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 1iy9 h PHE 2172Cb 0.00 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1iy9 h PHE 2172CO 0.00 -0.41 0.18 1.88 -2.23 0.00 0.00 178.31 177.73 1iy9 h TYR 2173N -0.14 1.04 -0.07 0.41 -1.99 -1.86 0.33 116.97 114.70 1iy9 h TYR 2173Ca 0.22 -0.10 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 1iy9 h TYR 2173Cb 0.55 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 1iy9 h TYR 2173CO -0.79 0.84 -0.47 0.00 -0.00 0.00 0.00 178.16 177.75 1iy9 h ALA 2174N 1.23 1.10 -0.73 3.88 0.00 -1.51 0.72 119.26 123.95 1iy9 h ALA 2174Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1iy9 h ALA 2174Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1iy9 h ALA 2174CO -0.00 0.62 0.23 0.78 0.00 0.00 0.00 179.25 180.87 1iy9 h GLY 2175N 1.34 1.21 0.99 0.00 0.00 0.61 -0.94 103.07 106.27 1iy9 h GLY 2175Ca 0.01 -0.71 -0.13 0.00 0.00 0.00 0.00 47.33 46.50 1iy9 h GLY 2175CO 0.07 0.67 -0.31 -2.22 0.00 0.00 0.00 176.54 174.74 1iy9 h ILE 2176N 1.07 1.30 -0.92 2.60 2.04 -0.47 -2.24 117.51 120.90 1iy9 h ILE 2176Ca 0.23 -1.49 0.03 0.00 1.00 0.00 0.00 64.86 64.63 1iy9 h ILE 2176Cb 0.30 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1iy9 h ILE 2176CO -0.01 0.48 0.60 0.00 0.00 0.00 0.00 178.15 179.22 1iy9 h ALA 2177N 0.70 1.20 -0.80 1.87 0.00 -0.60 -0.24 119.26 121.38 1iy9 h ALA 2177Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iy9 h ALA 2177Cb 0.89 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1iy9 h ALA 2177CO 0.08 0.49 0.50 -0.22 0.00 0.00 0.00 179.25 180.09 1iy9 h LYS 2178N 1.18 1.08 0.00 0.00 3.64 -0.93 -2.33 116.57 119.21 1iy9 h LYS 2178Ca 0.36 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1iy9 h LYS 2178Cb -0.04 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1iy9 h LYS 2178CO -0.11 0.75 -0.38 0.00 -2.27 0.00 0.00 179.45 177.44 1iy9 h ALA 2179N 1.27 0.95 -2.19 5.00 0.00 -0.74 0.39 119.26 123.93 1iy9 h ALA 2179Ca 0.29 -0.35 -0.47 0.00 0.00 0.00 0.00 54.91 54.38 1iy9 h ALA 2179Cb -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1iy9 h ALA 2179CO -0.06 0.48 0.37 -0.51 0.00 0.00 0.00 179.25 179.53 1iy9 s LEU 2180N -6.95 3.66 0.95 0.00 1.43 -0.18 -0.92 118.68 116.67 1iy9 s LEU 2180Ca 0.01 1.62 -0.13 0.00 -1.03 0.00 0.00 54.13 54.59 1iy9 s LEU 2180Cb 0.10 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.97 1iy9 s LEU 2180CO 0.69 -0.61 1.14 -0.54 0.23 0.00 0.00 176.35 177.26 1iy9 s LYS 2181N -3.93 0.83 0.58 1.70 1.02 0.57 -3.77 119.74 116.75 1iy9 s LYS 2181Ca 0.60 0.24 0.29 0.00 0.02 0.00 0.00 55.97 57.12 1iy9 s LYS 2181Cb -0.11 -1.81 1.45 0.00 -0.52 0.00 0.00 37.83 36.85 1iy9 s LYS 2181CO 0.29 -2.40 1.86 1.05 -0.92 0.00 0.00 175.35 175.23 1iy9 h GLU 2182N -1.64 0.00 -0.18 1.68 4.11 -1.92 0.12 114.58 116.75 1iy9 h GLU 2182Ca -0.50 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.78 1iy9 h GLU 2182Cb 1.32 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.44 1iy9 h GLU 2182CO 0.58 0.00 -0.62 -0.40 0.07 0.00 0.00 179.01 178.64 1iy9 n ASP 2183N -3.75 2.41 -4.73 3.06 3.85 -1.26 -4.72 116.55 111.42 1iy9 n ASP 2183Ca 0.10 -3.72 -0.29 0.00 -0.71 0.00 0.00 54.79 50.17 1iy9 n ASP 2183Cb 0.75 -0.47 0.14 0.00 -1.35 0.00 0.00 41.12 40.19 1iy9 n ASP 2183CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1iy9 s GLY 2184N -3.26 1.60 0.02 6.12 0.00 0.43 -4.62 107.32 107.60 1iy9 s GLY 2184Ca 0.41 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.95 1iy9 s GLY 2184CO -0.05 0.32 -0.05 -0.42 0.00 0.00 0.00 173.10 172.91 1iy9 s ILE 2185N -3.00 0.32 0.04 0.90 1.01 0.03 -1.68 121.20 118.81 1iy9 s ILE 2185Ca 0.64 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1iy9 s ILE 2185Cb -0.17 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 1iy9 s ILE 2185CO 0.56 -0.17 -0.06 0.72 0.00 0.00 0.00 174.94 175.99 1iy9 s PHE 2186N -0.74 0.53 0.00 3.97 -0.12 0.20 -1.42 117.98 120.42 1iy9 s PHE 2186Ca -0.05 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.33 1iy9 s PHE 2186Cb -0.06 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.99 1iy9 s PHE 2186CO -0.00 -0.12 -0.10 0.08 -0.05 0.00 0.00 175.22 175.02 1iy9 s VAL 2187N -1.48 0.80 -0.05 -2.49 1.01 -0.74 -0.94 120.40 116.50 1iy9 s VAL 2187Ca -0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1iy9 s VAL 2187Cb -0.09 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1iy9 s VAL 2187CO -0.00 0.14 0.12 0.00 0.00 0.00 0.00 175.10 175.36 1iy9 s ALA 2188N -0.40 -0.19 0.40 5.51 0.00 -0.31 -0.89 121.76 125.89 1iy9 s ALA 2188Ca 0.03 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 1iy9 s ALA 2188Cb -0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1iy9 s ALA 2188CO -0.00 -0.14 1.31 1.14 0.00 0.00 0.00 175.76 178.07 1iy9 s GLN 2189N 1.06 3.98 -0.33 0.00 -2.07 -1.25 -0.48 119.66 120.57 1iy9 s GLN 2189Ca -0.08 2.18 0.16 0.00 -1.82 0.00 0.00 55.36 55.80 1iy9 s GLN 2189Cb -0.11 -2.77 0.46 0.00 -1.09 0.00 0.00 33.01 29.50 1iy9 s GLN 2189CO -0.05 -0.49 1.02 -2.37 -1.32 0.00 0.00 175.29 172.08 1iy9 n THR 2190N 0.15 1.34 -4.56 3.63 5.66 0.11 -4.77 114.28 115.83 1iy9 n THR 2190Ca 0.04 -3.38 0.00 0.00 -3.05 0.00 0.00 64.05 57.66 1iy9 n THR 2190Cb 0.43 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 1iy9 n THR 2190CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1iy9 n ASP 2191N -0.27 -2.88 -4.75 1.09 8.00 -1.25 -4.43 116.55 112.07 1iy9 n ASP 2191Ca 0.15 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.40 1iy9 n ASP 2191Cb 0.80 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.84 1iy9 n ASP 2191CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iy9 s ASN 2192N -4.00 5.21 0.00 -2.24 2.20 -1.26 -0.31 114.94 114.53 1iy9 s ASN 2192Ca 0.00 -0.28 0.29 0.00 -0.94 0.00 0.00 52.86 51.93 1iy9 s ASN 2192Cb 0.00 -1.25 1.29 0.00 -2.00 0.00 0.00 41.25 39.28 1iy9 s ASN 2192CO 0.00 0.05 1.88 -0.81 -2.94 0.00 0.00 177.10 175.28 1iy9 n PRO 2193N -0.47 1.15 -0.02 3.55 -0.04 -1.26 -3.53 135.00 134.37 1iy9 n PRO 2193Ca -0.08 -0.48 -0.16 0.00 -0.04 0.00 0.00 63.50 62.73 1iy9 n PRO 2193Cb 0.56 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1iy9 n PRO 2193CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1iy9 n TRP 2194N -0.51 0.97 -0.01 0.54 7.02 -1.26 -4.29 117.44 119.90 1iy9 n TRP 2194Ca 0.18 0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.92 1iy9 n TRP 2194Cb 0.27 -1.14 -0.04 0.00 -2.42 0.00 0.00 31.31 27.98 1iy9 n TRP 2194CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1iy9 n PHE 2195N -3.28 0.00 -2.87 -5.99 0.99 -1.26 -4.76 117.46 100.29 1iy9 n PHE 2195Ca -0.29 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 56.97 1iy9 n PHE 2195Cb 1.05 -0.15 -0.01 0.00 -1.00 0.00 0.00 39.48 39.37 1iy9 n PHE 2195CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1iy9 n THR 2196N -1.88 1.37 0.25 4.37 -2.24 -1.23 -4.90 114.28 110.02 1iy9 n THR 2196Ca -0.04 -4.51 0.11 0.00 -2.27 0.00 0.00 64.05 57.34 1iy9 n THR 2196Cb 0.35 -0.49 0.66 0.00 -2.10 0.00 0.00 70.33 68.75 1iy9 n THR 2196CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1iy9 h PRO 2197N 2.92 0.00 -0.76 -0.78 0.13 -1.75 -2.89 132.00 128.86 1iy9 h PRO 2197Ca 0.09 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.31 1iy9 h PRO 2197Cb 0.90 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.96 1iy9 h PRO 2197CO 0.64 0.15 0.42 0.93 -0.23 0.00 0.00 178.00 179.91 1iy9 h GLU 2198N 0.00 0.71 -0.85 0.86 4.39 -1.91 -1.89 114.58 115.88 1iy9 h GLU 2198Ca -0.00 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.73 1iy9 h GLU 2198Cb 0.36 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.78 1iy9 h GLU 2198CO 0.02 0.47 0.51 1.25 -1.16 0.00 0.00 179.01 180.11 1iy9 h LEU 2199N 0.73 0.78 -0.63 1.33 6.46 -1.88 -1.39 115.31 120.72 1iy9 h LEU 2199Ca 0.36 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.11 1iy9 h LEU 2199Cb 0.31 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1iy9 h LEU 2199CO -0.23 0.48 0.24 0.40 -0.62 0.00 0.00 178.44 178.70 1iy9 h ILE 2200N 0.90 1.24 0.23 4.05 2.04 -1.48 -1.21 117.51 123.28 1iy9 h ILE 2200Ca 0.39 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1iy9 h ILE 2200Cb 0.26 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1iy9 h ILE 2200CO -0.21 0.30 -0.11 0.74 0.00 0.00 0.00 178.15 178.87 1iy9 h THR 2201N 0.88 0.82 0.17 -0.27 2.02 -1.24 -1.86 112.91 113.43 1iy9 h THR 2201Ca 0.21 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1iy9 h THR 2201Cb 0.23 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1iy9 h THR 2201CO -0.01 0.06 -0.14 0.78 0.37 0.00 0.00 175.52 176.58 1iy9 h ASN 2202N -0.46 -0.36 -0.28 4.18 2.35 -1.22 -1.38 115.58 118.41 1iy9 h ASN 2202Ca -0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1iy9 h ASN 2202Cb 0.35 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1iy9 h ASN 2202CO 0.05 -0.22 0.12 0.58 -1.65 0.00 0.00 177.43 176.32 1iy9 h VAL 2203N -0.32 1.17 -0.69 2.81 2.07 -1.29 0.14 116.25 120.15 1iy9 h VAL 2203Ca -0.00 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1iy9 h VAL 2203Cb 0.29 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1iy9 h VAL 2203CO -0.02 0.17 0.37 -0.61 0.02 0.00 0.00 177.57 177.50 1iy9 h GLN 2204N 0.31 0.64 -0.22 1.57 5.75 -1.27 0.19 115.11 122.08 1iy9 h GLN 2204Ca 0.09 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1iy9 h GLN 2204Cb 0.16 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1iy9 h GLN 2204CO -0.01 0.42 -0.13 -0.09 -2.65 0.00 0.00 178.83 176.37 1iy9 h ARG 2205N 0.66 0.48 -0.26 1.69 2.43 -1.02 -2.14 114.38 116.21 1iy9 h ARG 2205Ca 0.32 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1iy9 h ARG 2205Cb 0.25 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1iy9 h ARG 2205CO -0.21 0.77 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.34 1iy9 h ASP 2206N 0.18 0.50 -0.04 -3.80 3.32 -0.48 -2.64 116.42 113.46 1iy9 h ASP 2206Ca 0.05 -0.17 -0.20 0.00 0.02 0.00 0.00 57.03 56.73 1iy9 h ASP 2206Cb 0.64 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1iy9 h ASP 2206CO 0.04 0.74 -0.71 0.58 -1.72 0.00 0.00 179.24 178.17 1iy9 h VAL 2207N 0.44 1.31 0.00 -1.35 2.07 -0.64 -3.01 116.25 115.07 1iy9 h VAL 2207Ca 0.07 -1.96 -0.03 0.00 0.82 0.00 0.00 66.70 65.60 1iy9 h VAL 2207Cb 0.65 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1iy9 h VAL 2207CO 0.05 0.61 -0.12 0.50 0.02 0.00 0.00 177.57 178.63 1iy9 h LYS 2208N 0.48 0.00 0.00 1.57 1.63 -1.21 -0.75 116.57 118.29 1iy9 h LYS 2208Ca -0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1iy9 h LYS 2208Cb 1.31 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1iy9 h LYS 2208CO 0.14 0.12 -0.04 0.93 -3.45 0.00 0.00 179.45 177.15 1iy9 h GLU 2209N 0.00 0.00 0.00 1.90 5.08 -1.33 -3.28 114.58 116.95 1iy9 h GLU 2209Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1iy9 h GLU 2209Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1iy9 h GLU 2209CO 0.02 0.04 -0.88 0.44 -1.00 0.00 0.00 179.01 177.62 1iy9 n ILE 2210N -3.57 0.00 -4.61 3.13 -5.35 -0.51 -5.03 119.36 103.42 1iy9 n ILE 2210Ca -0.02 -0.01 -0.33 0.00 -0.27 0.00 0.00 62.75 62.12 1iy9 n ILE 2210Cb 0.14 0.45 -0.13 0.00 -1.74 0.00 0.00 39.64 38.36 1iy9 n ILE 2210CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1iy9 s PHE 2211N -1.78 2.92 0.47 4.28 0.40 -0.41 -5.00 117.98 118.86 1iy9 s PHE 2211Ca 0.00 -0.33 0.16 0.00 -0.60 0.00 0.00 56.93 56.16 1iy9 s PHE 2211Cb 0.00 -1.85 1.12 0.00 0.51 0.00 0.00 43.02 42.81 1iy9 s PHE 2211CO 0.00 0.00 2.04 -1.00 0.70 0.00 0.00 175.22 176.96 1iy9 h PRO 2212N 6.30 0.00 -4.88 0.24 0.13 -1.83 -3.40 132.00 128.56 1iy9 h PRO 2212Ca -0.34 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.12 1iy9 h PRO 2212Cb 1.19 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.00 1iy9 h PRO 2212CO 0.57 0.13 -0.74 0.42 -0.23 0.00 0.00 178.00 178.16 1iy9 s ILE 2213N -4.71 2.91 -0.23 -3.56 1.01 -1.00 -5.03 121.20 110.59 1iy9 s ILE 2213Ca -0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.50 1iy9 s ILE 2213Cb 0.16 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 40.18 1iy9 s ILE 2213CO 0.68 0.14 0.05 -0.89 0.00 0.00 0.00 174.94 174.92 1iy9 s THR 2214N 1.31 0.58 0.36 2.92 2.01 -1.26 -0.56 115.64 121.01 1iy9 s THR 2214Ca -0.01 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 61.29 1iy9 s THR 2214Cb -0.17 -1.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.08 1iy9 s THR 2214CO -0.04 -0.36 -0.02 -0.54 -0.69 0.00 0.00 174.62 172.97 1iy9 s LYS 2215N 1.81 1.95 -0.07 4.92 -0.14 -0.86 -4.99 119.74 122.36 1iy9 s LYS 2215Ca 0.02 -1.92 0.01 0.00 -1.36 0.00 0.00 55.97 52.72 1iy9 s LYS 2215Cb -0.17 -1.77 0.02 0.00 -1.68 0.00 0.00 37.83 34.23 1iy9 s LYS 2215CO -0.14 0.08 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.26 1iy9 s LEU 2216N -3.68 1.46 0.37 3.17 2.96 -1.26 -1.60 118.68 120.10 1iy9 s LEU 2216Ca 0.34 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1iy9 s LEU 2216Cb 0.04 -0.75 -0.07 0.00 0.50 0.00 0.00 46.19 45.91 1iy9 s LEU 2216CO 0.18 -0.02 -0.04 -0.72 -1.32 0.00 0.00 176.35 174.43 1iy9 s TYR 2217N 0.96 2.44 0.23 5.38 -0.85 0.55 -4.59 117.35 121.47 1iy9 s TYR 2217Ca -0.09 -0.59 0.10 0.00 -0.52 0.00 0.00 57.07 55.96 1iy9 s TYR 2217Cb -0.15 -1.56 -0.05 0.00 0.38 0.00 0.00 41.96 40.59 1iy9 s TYR 2217CO 0.00 0.50 -0.18 0.99 -1.52 0.00 0.00 175.55 175.34 1iy9 s THR 2218N -2.68 2.15 -0.08 -3.49 2.01 0.51 -0.36 115.64 113.69 1iy9 s THR 2218Ca 0.34 -2.25 -0.30 0.00 0.31 0.00 0.00 61.69 59.79 1iy9 s THR 2218Cb 0.06 -2.14 0.09 0.00 0.01 0.00 0.00 72.50 70.52 1iy9 s THR 2218CO 0.17 -0.42 0.81 0.00 -0.69 0.00 0.00 174.62 174.49 1iy9 s ALA 2219N -2.52 -1.83 -0.40 7.40 0.00 -0.95 -4.73 121.76 118.72 1iy9 s ALA 2219Ca 0.25 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 1iy9 s ALA 2219Cb -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1iy9 s ALA 2219CO 0.11 -0.38 0.57 1.21 0.00 0.00 0.00 175.76 177.27 1iy9 s ASN 2220N -1.28 6.31 -0.34 0.00 2.47 -1.26 -0.61 114.94 120.23 1iy9 s ASN 2220Ca -0.06 -0.27 0.03 0.00 0.42 0.00 0.00 52.86 52.98 1iy9 s ASN 2220Cb -0.00 -2.29 0.10 0.00 -1.45 0.00 0.00 41.25 37.61 1iy9 s ASN 2220CO 0.05 -0.64 0.07 -0.63 -3.72 0.00 0.00 177.10 172.22 1iy9 s ILE 2221N 2.57 1.98 0.65 -5.21 1.01 -1.11 -4.91 121.20 116.17 1iy9 s ILE 2221Ca 0.20 -2.18 0.33 0.00 0.00 0.00 0.00 60.65 59.00 1iy9 s ILE 2221Cb -0.15 -2.47 0.35 0.00 0.01 0.00 0.00 42.46 40.20 1iy9 s ILE 2221CO 0.16 -0.63 2.06 1.55 0.00 0.00 0.00 174.94 178.08 1iy9 h PRO 2222N 7.67 0.00 -0.06 2.79 0.13 -1.94 -1.44 132.00 139.15 1iy9 h PRO 2222Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1iy9 h PRO 2222Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1iy9 h PRO 2222CO 0.51 0.00 0.00 2.41 -0.23 0.00 0.00 178.00 180.69 1iy9 n THR 2223N -3.17 0.04 -4.10 1.56 -1.04 -1.26 -4.78 114.28 101.54 1iy9 n THR 2223Ca -0.01 -0.45 -0.28 0.00 -2.04 0.00 0.00 64.05 61.27 1iy9 n THR 2223Cb 0.32 1.17 -0.07 0.00 -1.82 0.00 0.00 70.33 69.93 1iy9 n THR 2223CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1iy9 s TYR 2224N -1.96 3.08 -0.19 -1.42 1.51 -0.54 -4.84 117.35 112.99 1iy9 s TYR 2224Ca 0.32 -0.01 -0.41 0.00 -1.01 0.00 0.00 57.07 55.95 1iy9 s TYR 2224Cb 0.20 -1.53 -0.18 0.00 -0.11 0.00 0.00 41.96 40.34 1iy9 s TYR 2224CO 0.31 0.51 1.46 -2.30 -1.11 0.00 0.00 175.55 174.42 1iy9 n PRO 2225N 0.14 0.60 0.00 -1.71 -0.02 -1.26 -1.37 135.00 131.37 1iy9 n PRO 2225Ca -0.09 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1iy9 n PRO 2225Cb 0.53 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1iy9 n PRO 2225CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1iy9 n SER 2226N 3.50 0.00 0.00 2.55 3.41 -1.26 -4.02 113.62 117.80 1iy9 n SER 2226Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1iy9 n SER 2226Cb 0.08 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1iy9 n SER 2226CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iy9 n GLY 2227N -1.97 1.22 2.88 5.00 0.00 -0.47 -4.99 105.19 106.85 1iy9 n GLY 2227Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1iy9 n GLY 2227CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iy9 s LEU 2228N 0.00 1.41 0.23 0.99 2.96 -1.26 -2.77 118.68 120.24 1iy9 s LEU 2228Ca 0.00 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 1iy9 s LEU 2228Cb 0.00 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1iy9 s LEU 2228CO 0.00 -0.17 0.14 0.86 -1.32 0.00 0.00 176.35 175.86 1iy9 s TRP 2229N 1.68 3.04 0.04 5.38 -0.11 0.22 -4.36 118.94 124.83 1iy9 s TRP 2229Ca 0.02 -0.11 0.07 0.00 1.22 0.00 0.00 56.10 57.31 1iy9 s TRP 2229Cb -0.14 -1.39 -0.02 0.00 -1.50 0.00 0.00 33.47 30.41 1iy9 s TRP 2229CO -0.08 0.54 -0.21 0.99 -4.62 0.00 0.00 176.95 173.56 1iy9 s THR 2230N -2.04 1.72 -0.03 5.86 2.01 0.57 -2.25 115.64 121.48 1iy9 s THR 2230Ca 0.32 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1iy9 s THR 2230Cb -0.08 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1iy9 s THR 2230CO 0.23 0.25 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.97 1iy9 s PHE 2231N -0.77 1.00 -0.18 4.92 0.40 0.51 0.06 117.98 123.93 1iy9 s PHE 2231Ca 0.08 -0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 1iy9 s PHE 2231Cb -0.09 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 1iy9 s PHE 2231CO 0.02 -0.14 0.08 0.99 0.70 0.00 0.00 175.22 176.87 1iy9 s THR 2232N 0.35 4.92 -0.16 0.64 2.01 0.36 -0.33 115.64 123.44 1iy9 s THR 2232Ca -0.06 0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1iy9 s THR 2232Cb -0.10 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.20 1iy9 s THR 2232CO 0.01 0.47 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.70 1iy9 s ILE 2233N 0.24 2.15 -0.21 1.82 2.07 -0.63 -1.17 121.20 125.48 1iy9 s ILE 2233Ca 0.05 -0.93 -0.04 0.00 -1.41 0.00 0.00 60.65 58.32 1iy9 s ILE 2233Cb -0.12 -1.88 -0.01 0.00 0.13 0.00 0.00 42.46 40.57 1iy9 s ILE 2233CO -0.00 0.54 -0.03 -0.83 -1.91 0.00 0.00 174.94 172.71 1iy9 s GLY 2234N 0.99 1.64 0.01 1.50 0.00 -0.12 -2.03 107.32 109.31 1iy9 s GLY 2234Ca -0.02 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 43.66 1iy9 s GLY 2234CO -0.06 0.33 -0.18 -0.45 0.00 0.00 0.00 173.10 172.75 1iy9 s SER 2235N 1.26 2.10 0.14 1.64 0.15 0.28 -0.62 113.70 118.65 1iy9 s SER 2235Ca 0.03 -0.39 0.17 0.00 0.70 0.00 0.00 55.95 56.47 1iy9 s SER 2235Cb -0.14 -0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 63.90 1iy9 s SER 2235CO -0.01 0.18 1.02 0.11 1.20 0.00 0.00 173.24 175.74 1iy9 h LYS 2236N 5.38 0.00 0.00 5.44 1.57 -1.61 -2.64 116.57 124.71 1iy9 h LYS 2236Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1iy9 h LYS 2236Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1iy9 h LYS 2236CO 0.47 0.28 0.00 1.17 -0.57 0.00 0.00 179.45 180.80 1iy9 n LYS 2237N -2.94 0.00 -3.19 3.15 4.81 -1.26 -4.70 118.16 114.04 1iy9 n LYS 2237Ca -0.05 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.00 1iy9 n LYS 2237Cb 0.76 -0.23 -0.06 0.00 0.02 0.00 0.00 35.03 35.53 1iy9 n LYS 2237CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1iy9 s TYR 2238N -1.30 3.66 -0.19 5.64 1.51 -1.26 -5.05 117.35 120.36 1iy9 s TYR 2238Ca 0.00 1.19 -0.20 0.00 -1.01 0.00 0.00 57.07 57.05 1iy9 s TYR 2238Cb 0.00 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.19 1iy9 s TYR 2238CO 0.00 0.30 0.58 0.34 -1.11 0.00 0.00 175.55 175.67 1iy9 s ASP 2239N -0.00 6.64 0.41 2.29 -1.08 -1.26 -4.82 116.67 118.86 1iy9 s ASP 2239Ca 0.32 0.78 0.29 0.00 -0.52 0.00 0.00 52.55 53.41 1iy9 s ASP 2239Cb -0.18 -2.33 1.42 0.00 -1.46 0.00 0.00 42.92 40.38 1iy9 s ASP 2239CO 0.17 -0.22 1.87 1.55 0.52 0.00 0.00 175.17 179.06 1iy9 h PRO 2240N 7.43 0.00 -0.09 4.34 0.13 -1.95 -1.13 132.00 140.73 1iy9 h PRO 2240Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1iy9 h PRO 2240Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1iy9 h PRO 2240CO 0.76 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.81 1iy9 n LEU 2241N -2.54 2.68 -0.80 1.56 4.77 -1.26 -3.96 117.00 117.45 1iy9 n LEU 2241Ca -0.01 -0.96 0.07 0.00 -0.03 0.00 0.00 56.01 55.09 1iy9 n LEU 2241Cb 0.13 -0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.38 1iy9 n LEU 2241CO 0.17 0.48 0.68 0.00 -1.33 0.00 0.00 177.39 177.38 1iy9 n ALA 2242N 1.07 2.62 -1.84 -1.18 0.00 -0.43 -5.01 120.51 115.74 1iy9 n ALA 2242Ca 0.16 -1.73 -0.42 0.00 0.00 0.00 0.00 53.44 51.46 1iy9 n ALA 2242Cb 0.53 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 1iy9 n ALA 2242CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iy9 s VAL 2243N -1.92 2.37 0.32 0.00 1.01 -1.25 -4.94 120.40 116.00 1iy9 s VAL 2243Ca 0.33 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1iy9 s VAL 2243Cb 0.24 -3.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.34 1iy9 s VAL 2243CO 0.13 0.03 1.18 -1.61 0.00 0.00 0.00 175.10 174.83 1iy9 s GLU 2244N 0.32 4.42 0.25 2.72 0.41 -1.26 -4.95 118.70 120.61 1iy9 s GLU 2244Ca 0.66 1.94 -0.05 0.00 -0.41 0.00 0.00 54.97 57.11 1iy9 s GLU 2244Cb -0.45 -3.04 0.29 0.00 -1.78 0.00 0.00 34.13 29.15 1iy9 s GLU 2244CO 0.39 -0.03 1.92 0.22 -0.49 0.00 0.00 175.26 177.27 1iy9 h ASP 2245N 3.41 1.14 0.49 -0.19 1.82 -1.98 -1.37 116.42 119.74 1iy9 h ASP 2245Ca -0.48 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 1iy9 h ASP 2245Cb 1.22 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1iy9 h ASP 2245CO 0.65 0.81 0.00 0.77 -1.61 0.00 0.00 179.24 179.86 1iy9 h SER 2246N 1.33 0.00 -0.15 2.28 4.64 -2.03 -2.84 113.55 116.78 1iy9 h SER 2246Ca 0.38 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.62 1iy9 h SER 2246Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1iy9 h SER 2246CO -0.09 0.00 -0.16 -0.09 -0.87 0.00 0.00 176.83 175.62 1iy9 h ARG 2247N 0.00 0.54 -7.24 4.77 1.12 -1.63 -3.44 114.38 108.50 1iy9 h ARG 2247Ca 0.00 -0.17 -0.50 0.00 -1.11 0.00 0.00 59.98 58.20 1iy9 h ARG 2247Cb 0.25 -0.05 0.08 0.00 -0.01 0.00 0.00 29.97 30.24 1iy9 h ARG 2247CO 0.00 0.68 0.37 -0.06 -3.11 0.00 0.00 179.97 177.85 1iy9 s PHE 2248N -4.68 2.97 0.08 2.20 0.40 -1.08 -5.07 117.98 112.81 1iy9 s PHE 2248Ca -0.07 1.49 -0.09 0.00 -0.60 0.00 0.00 56.93 57.66 1iy9 s PHE 2248Cb 0.14 -2.99 -0.00 0.00 0.51 0.00 0.00 43.02 40.69 1iy9 s PHE 2248CO 0.79 -1.23 0.19 -0.59 0.70 0.00 0.00 175.22 175.08 1iy9 s PHE 2249N -2.64 0.13 0.20 0.36 -0.12 -1.26 -5.09 117.98 109.57 1iy9 s PHE 2249Ca 0.62 -0.53 -0.32 0.00 -0.05 0.00 0.00 56.93 56.65 1iy9 s PHE 2249Cb -0.16 -0.05 -0.13 0.00 -0.63 0.00 0.00 43.02 42.05 1iy9 s PHE 2249CO 0.43 -0.53 1.67 -0.25 -0.05 0.00 0.00 175.22 176.50 1iy9 n ASP 2250N 0.06 3.72 -3.79 1.98 8.00 -1.26 -4.98 116.55 120.28 1iy9 n ASP 2250Ca -0.16 1.07 -0.13 0.00 0.71 0.00 0.00 54.79 56.29 1iy9 n ASP 2250Cb 0.62 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.07 1iy9 n ASP 2250CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1iy9 s ILE 2251N 1.02 0.00 -0.28 0.53 2.07 -1.26 -5.12 121.20 118.16 1iy9 s ILE 2251Ca 0.75 -0.02 -0.25 0.00 -1.41 0.00 0.00 60.65 59.73 1iy9 s ILE 2251Cb -0.56 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 41.67 1iy9 s ILE 2251CO 0.35 -0.01 0.85 -0.70 -1.91 0.00 0.00 174.94 173.52 1iy9 s GLU 2252N 0.08 4.08 0.15 3.50 2.12 -1.26 -5.02 118.70 122.35 1iy9 s GLU 2252Ca -0.00 0.83 -0.06 0.00 0.36 0.00 0.00 54.97 56.09 1iy9 s GLU 2252Cb -0.02 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1iy9 s GLU 2252CO 0.00 -0.64 0.20 0.95 -0.54 0.00 0.00 175.26 175.23 1iy9 s THR 2253N 3.01 0.08 -0.15 -1.70 -4.23 -1.26 -5.06 115.64 106.32 1iy9 s THR 2253Ca 0.36 -1.60 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 1iy9 s THR 2253Cb -0.14 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1iy9 s THR 2253CO 0.10 -0.35 0.15 0.29 -0.54 0.00 0.00 174.62 174.27 1iy9 n LYS 2254N -0.17 5.65 0.04 3.99 5.02 -1.26 -4.89 118.16 126.53 1iy9 n LYS 2254Ca -0.06 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1iy9 n LYS 2254Cb 0.63 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1iy9 n LYS 2254CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iy9 n TYR 2255N -1.00 -0.47 -1.60 2.13 9.36 -1.26 -5.06 117.16 119.27 1iy9 n TYR 2255Ca 0.01 0.08 -0.43 0.00 3.32 0.00 0.00 57.90 60.88 1iy9 n TYR 2255Cb 0.05 0.23 -0.00 0.00 -0.63 0.00 0.00 39.34 38.99 1iy9 n TYR 2255CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 1iy9 n TYR 2256N -2.92 1.24 -3.67 2.98 9.36 -1.26 -4.95 117.16 117.94 1iy9 n TYR 2256Ca 0.00 0.61 -0.12 0.00 3.32 0.00 0.00 57.90 61.71 1iy9 n TYR 2256Cb 0.00 -2.24 -0.06 0.00 -0.63 0.00 0.00 39.34 36.41 1iy9 n TYR 2256CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1iy9 s THR 2257N -1.19 0.06 0.42 2.97 2.01 -1.26 -4.80 115.64 113.85 1iy9 s THR 2257Ca 0.61 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.17 1iy9 s THR 2257Cb -0.61 -1.00 0.25 0.00 0.01 0.00 0.00 72.50 71.15 1iy9 s THR 2257CO 0.59 -0.28 2.04 0.07 -0.69 0.00 0.00 174.62 176.35 1iy9 h LYS 2258N 2.91 0.43 -0.01 4.92 2.10 -1.99 0.16 116.57 125.08 1iy9 h LYS 2258Ca -0.32 -0.04 -0.19 0.00 -2.00 0.00 0.00 60.65 58.11 1iy9 h LYS 2258Cb 1.21 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1iy9 h LYS 2258CO 0.45 0.32 -0.72 -0.44 -2.00 0.00 0.00 179.45 177.06 1iy9 h ASP 2259N 0.43 0.65 -0.44 7.07 3.45 -2.00 -2.94 116.42 122.64 1iy9 h ASP 2259Ca 0.11 -0.74 0.05 0.00 0.43 0.00 0.00 57.03 56.88 1iy9 h ASP 2259Cb 0.02 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 1iy9 h ASP 2259CO -0.02 1.31 0.30 0.40 -1.57 0.00 0.00 179.24 179.65 1iy9 h ILE 2260N 0.06 0.99 -0.51 0.35 1.08 -1.77 0.59 117.51 118.29 1iy9 h ILE 2260Ca -0.09 -0.14 0.10 0.00 -0.39 0.00 0.00 64.86 64.35 1iy9 h ILE 2260Cb 1.41 0.55 -0.09 0.00 -3.07 0.00 0.00 36.82 35.62 1iy9 h ILE 2260CO 0.14 0.07 -0.08 -0.74 -0.69 0.00 0.00 178.15 176.86 1iy9 h HIS 2261N 0.40 -0.17 0.21 1.37 2.76 -0.53 0.93 115.15 120.12 1iy9 h HIS 2261Ca 0.19 0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 58.06 1iy9 h HIS 2261Cb 0.24 0.16 0.02 0.00 1.55 0.00 0.00 27.41 29.38 1iy9 h HIS 2261CO -0.00 -0.18 -1.62 0.87 -1.30 0.00 0.00 177.93 175.69 1iy9 h LYS 2262N 0.04 0.44 0.00 5.26 1.57 -1.34 -3.35 116.57 119.19 1iy9 h LYS 2262Ca 0.25 -0.76 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1iy9 h LYS 2262Cb 0.39 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1iy9 h LYS 2262CO -0.49 1.36 -0.06 0.00 -0.57 0.00 0.00 179.45 179.70 1iy9 h ALA 2263N 0.12 1.75 0.00 3.86 0.00 -0.54 -1.95 119.26 122.50 1iy9 h ALA 2263Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iy9 h ALA 2263Cb 2.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1iy9 h ALA 2263CO 0.21 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1iy9 h ALA 2264N 1.94 1.00 -0.01 0.00 0.00 -0.96 -1.35 119.26 119.88 1iy9 h ALA 2264Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iy9 h ALA 2264Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iy9 h ALA 2264CO 0.01 0.00 -0.20 1.19 0.00 0.00 0.00 179.25 180.25 1iy9 n PHE 2265N -2.87 0.00 -2.91 0.00 3.01 -0.73 -0.36 117.46 113.60 1iy9 n PHE 2265Ca -0.01 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1iy9 n PHE 2265Cb 0.16 -0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 39.48 1iy9 n PHE 2265CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1iy9 s VAL 2266N -2.39 4.49 0.13 -4.37 1.01 -0.51 -4.94 120.40 113.82 1iy9 s VAL 2266Ca 0.27 0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 1iy9 s VAL 2266Cb 0.20 -4.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 1iy9 s VAL 2266CO 0.48 -1.09 0.55 -0.76 0.00 0.00 0.00 175.10 174.27 1iy9 s LEU 2267N 3.66 4.38 0.52 3.92 1.02 -1.26 -4.98 118.68 125.94 1iy9 s LEU 2267Ca 0.26 1.11 -0.22 0.00 0.02 0.00 0.00 54.13 55.30 1iy9 s LEU 2267Cb -0.15 -3.17 -0.06 0.00 0.02 0.00 0.00 46.19 42.84 1iy9 s LEU 2267CO 0.16 0.15 1.27 -2.84 0.02 0.00 0.00 176.35 175.10 1iy9 s PRO 2268N -1.76 3.34 0.26 1.29 0.02 -1.26 -4.71 135.00 132.19 1iy9 s PRO 2268Ca 0.35 2.01 -0.10 0.00 0.02 0.00 0.00 61.00 63.28 1iy9 s PRO 2268Cb -0.16 -2.27 0.40 0.00 0.02 0.00 0.00 34.50 32.50 1iy9 s PRO 2268CO 0.19 -0.96 1.54 1.17 -0.33 0.00 0.00 177.00 178.61 1iy9 n LYS 2269N -0.91 -0.12 0.28 5.54 3.00 -1.26 -0.31 118.16 124.38 1iy9 n LYS 2269Ca 0.10 1.53 0.15 0.00 -0.00 0.00 0.00 58.31 60.09 1iy9 n LYS 2269Cb 0.47 -2.29 0.79 0.00 0.00 0.00 0.00 35.03 34.00 1iy9 n LYS 2269CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1iy9 h PHE 2270N 0.00 0.00 0.22 5.64 -5.15 -2.00 -2.34 116.94 113.31 1iy9 h PHE 2270Ca 0.44 0.00 -0.32 0.00 -0.20 0.00 0.00 57.97 57.89 1iy9 h PHE 2270Cb 0.69 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.89 1iy9 h PHE 2270CO -0.79 0.08 -1.45 0.28 -2.00 0.00 0.00 178.31 174.44 1iy9 h VAL 2271N 0.00 1.31 -0.70 0.88 2.07 -1.01 -3.26 116.25 115.55 1iy9 h VAL 2271Ca -0.00 -2.78 0.01 0.00 0.82 0.00 0.00 66.70 64.74 1iy9 h VAL 2271Cb 0.32 3.00 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1iy9 h VAL 2271CO 0.01 0.83 0.46 0.28 0.02 0.00 0.00 177.57 179.17 1iy9 h SER 2272N 0.13 0.80 -0.34 0.57 0.02 -1.08 -2.13 113.55 111.51 1iy9 h SER 2272Ca -0.23 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1iy9 h SER 2272Cb 2.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 1iy9 h SER 2272CO 0.25 0.58 0.44 0.44 -1.14 0.00 0.00 176.83 177.40 1iy9 h ASP 2273N 0.95 0.00 0.79 3.07 5.19 -1.47 -0.81 116.42 124.13 1iy9 h ASP 2273Ca 0.25 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.54 1iy9 h ASP 2273Cb -0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 1iy9 h ASP 2273CO -0.05 0.00 -0.61 -0.07 -3.12 0.00 0.00 179.24 175.39 1iy9 h LEU 2274N 0.00 0.00 -1.86 1.55 3.38 -1.45 -3.52 115.31 113.41 1iy9 h LEU 2274Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1iy9 h LEU 2274Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1iy9 h LEU 2274CO -0.00 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.14