#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs h ASP 2005N 0.00 0.00 -4.04 -3.46 3.32 -1.34 -3.48 116.42 107.43 1rxs h ASP 2005Ca 0.00 -0.08 -0.55 0.00 0.02 0.00 0.00 57.03 56.42 1rxs h ASP 2005Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 1rxs h ASP 2005CO 0.00 0.04 -0.82 0.68 -1.72 0.00 0.00 179.24 177.43 1rxs s VAL 2006N -3.27 1.74 0.26 -1.35 -7.23 -1.23 -5.05 120.40 104.26 1rxs s VAL 2006Ca 0.03 -1.63 0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1rxs s VAL 2006Cb 0.11 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 1rxs s VAL 2006CO 0.75 -0.12 1.62 0.15 -0.31 0.00 0.00 175.10 177.20 1rxs h PHE 2007N 3.89 0.00 0.00 2.82 3.04 -1.94 -3.36 116.94 121.39 1rxs h PHE 2007Ca -0.45 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.31 1rxs h PHE 2007Cb 1.19 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.66 1rxs h PHE 2007CO 0.63 0.59 -1.69 0.72 -2.02 0.00 0.00 178.31 176.54 1rxs n HIS 2008N -3.76 0.00 0.37 0.41 8.25 -1.26 -4.74 115.22 114.48 1rxs n HIS 2008Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1rxs n HIS 2008Cb 0.61 -0.47 0.34 0.00 1.12 0.00 0.00 29.99 31.59 1rxs n HIS 2008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rxs h LEU 2009N -0.02 0.00 -1.55 2.41 3.38 -1.93 -3.45 115.31 114.16 1rxs h LEU 2009Ca -0.27 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.33 1rxs h LEU 2009Cb 1.42 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.29 1rxs h LEU 2009CO -0.05 0.00 -0.77 0.61 0.09 0.00 0.00 178.44 178.32 1rxs n GLY 2010N 0.94 -0.37 3.36 0.83 0.00 -1.26 -4.70 105.19 103.99 1rxs n GLY 2010Ca 0.04 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 1rxs n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 2011N -6.61 2.55 0.24 0.99 1.43 -1.26 -4.81 118.68 111.21 1rxs s LEU 2011Ca 0.11 -1.00 0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1rxs s LEU 2011Cb -0.05 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 1rxs s LEU 2011CO 0.76 -0.12 -0.18 0.42 0.23 0.00 0.00 176.35 177.45 1rxs s THR 2012N -2.80 2.62 0.34 5.49 -4.23 -1.26 -0.79 115.64 115.02 1rxs s THR 2012Ca 0.23 -2.17 0.14 0.00 -1.18 0.00 0.00 61.69 58.71 1rxs s THR 2012Cb -0.02 -2.34 0.33 0.00 1.34 0.00 0.00 72.50 71.82 1rxs s THR 2012CO 0.08 -0.29 1.68 0.50 -0.54 0.00 0.00 174.62 176.05 1rxs h LYS 2013N 2.56 0.36 -0.30 3.99 3.11 -1.95 -0.63 116.57 123.71 1rxs h LYS 2013Ca -0.43 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 57.28 1rxs h LYS 2013Cb 1.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.37 1rxs h LYS 2013CO 0.56 0.24 -0.28 -0.97 -2.81 0.00 0.00 179.45 176.19 1rxs h ASN 2014N 0.37 0.61 -0.69 4.20 -0.73 -1.95 -2.51 115.58 114.88 1rxs h ASN 2014Ca 0.72 -0.23 0.12 0.00 1.87 0.00 0.00 56.30 58.78 1rxs h ASN 2014Cb 1.62 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 40.00 1rxs h ASN 2014CO -0.56 0.86 0.46 0.44 -0.37 0.00 0.00 177.43 178.26 1rxs h ASP 2015N 0.52 0.40 1.43 1.15 3.32 -1.51 -2.29 116.42 119.44 1rxs h ASP 2015Ca 0.07 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1rxs h ASP 2015Cb 0.74 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1rxs h ASP 2015CO 0.06 0.23 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.55 1rxs h LEU 2016N 0.44 0.00 -1.13 1.55 4.07 -1.47 -3.48 115.31 115.29 1rxs h LEU 2016Ca 0.33 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.81 1rxs h LEU 2016Cb 0.68 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.38 1rxs h LEU 2016CO -0.10 0.18 -0.78 0.00 -1.08 0.00 0.00 178.44 176.66 1rxs n GLN 2017N -3.21 -5.16 -0.56 1.13 6.02 -0.86 -1.57 117.38 113.16 1rxs n GLN 2017Ca 0.02 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 1rxs n GLN 2017Cb 0.51 -5.38 0.00 0.00 1.02 0.00 0.00 30.24 26.40 1rxs n GLN 2017CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 2018N -1.67 1.10 3.61 1.08 0.00 -1.26 -4.78 105.19 103.26 1rxs n GLY 2018Ca -0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.54 1rxs n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs n ALA 2019N -0.04 -0.15 -0.36 4.61 0.00 -0.61 -4.91 120.51 119.06 1rxs n ALA 2019Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1rxs n ALA 2019Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1rxs n ALA 2019CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rxs n THR 2020N 1.38 0.17 -4.88 0.00 -2.24 -1.26 -4.24 114.28 103.21 1rxs n THR 2020Ca 0.13 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1rxs n THR 2020Cb 0.28 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.53 1rxs n THR 2020CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1rxs s LEU 2021N -0.17 1.97 -0.05 3.22 0.20 -1.26 0.05 118.68 122.64 1rxs s LEU 2021Ca 0.00 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.50 1rxs s LEU 2021Cb 0.00 -0.98 0.01 0.00 -0.43 0.00 0.00 46.19 44.78 1rxs s LEU 2021CO 0.00 0.19 -0.13 0.00 -0.29 0.00 0.00 176.35 176.12 1rxs s ALA 2022N -0.17 1.27 -0.16 5.97 0.00 0.09 -1.88 121.76 126.87 1rxs s ALA 2022Ca 0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 51.96 51.26 1rxs s ALA 2022Cb -0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1rxs s ALA 2022CO 0.01 0.17 0.71 0.42 0.00 0.00 0.00 175.76 177.06 1rxs s ILE 2023N 0.39 4.98 -0.54 0.00 1.01 0.41 -1.08 121.20 126.36 1rxs s ILE 2023Ca -0.09 1.37 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1rxs s ILE 2023Cb -0.13 -4.02 0.14 0.00 0.01 0.00 0.00 42.46 38.45 1rxs s ILE 2023CO 0.03 0.11 0.29 0.68 0.00 0.00 0.00 174.94 176.05 1rxs s VAL 2024N 1.78 2.75 0.90 2.92 -7.23 0.57 -1.70 120.40 120.39 1rxs s VAL 2024Ca 0.33 -3.30 -0.12 0.00 -1.81 0.00 0.00 61.98 57.08 1rxs s VAL 2024Cb -0.16 -2.89 0.13 0.00 0.56 0.00 0.00 36.38 34.02 1rxs s VAL 2024CO 0.12 -0.82 1.13 -2.16 -0.31 0.00 0.00 175.10 173.07 1rxs s PRO 2025N -0.30 1.22 -0.10 4.82 0.04 -1.21 -3.21 135.00 136.26 1rxs s PRO 2025Ca 0.17 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.52 1rxs s PRO 2025Cb -0.25 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 1rxs s PRO 2025CO -0.01 -2.15 0.45 0.41 0.04 0.00 0.00 177.00 175.74 1rxs n GLY 2026N -2.20 -0.68 3.63 0.56 0.00 -1.25 -1.27 105.19 103.97 1rxs n GLY 2026Ca 0.07 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1rxs n GLY 2026CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rxs s ASP 2027N -6.77 6.45 0.29 1.61 3.68 -1.26 -1.03 116.67 119.64 1rxs s ASP 2027Ca -0.17 0.53 0.05 0.00 2.13 0.00 0.00 52.55 55.09 1rxs s ASP 2027Cb 0.07 -2.27 0.73 0.00 -1.45 0.00 0.00 42.92 39.99 1rxs s ASP 2027CO 0.79 -0.24 1.74 -0.65 0.13 0.00 0.00 175.17 176.94 1rxs h PRO 2028N 7.87 0.59 0.00 4.34 0.11 -1.90 -1.17 132.00 141.83 1rxs h PRO 2028Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1rxs h PRO 2028Cb 1.15 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1rxs h PRO 2028CO 0.71 0.39 0.00 -0.25 -0.21 0.00 0.00 178.00 178.64 1rxs n ASP 2029N -4.88 0.30 -0.30 -2.05 8.00 -1.26 -1.83 116.55 114.52 1rxs n ASP 2029Ca 0.23 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.43 1rxs n ASP 2029Cb 0.60 -0.65 0.10 0.00 -0.02 0.00 0.00 41.12 41.15 1rxs n ASP 2029CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1rxs n ARG 2030N -1.85 0.80 0.32 -1.24 0.63 -0.44 -4.46 116.66 110.42 1rxs n ARG 2030Ca 0.02 -0.60 -0.17 0.00 -0.92 0.00 0.00 57.85 56.18 1rxs n ARG 2030Cb 0.16 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.50 1rxs n ARG 2030CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1rxs h VAL 2031N 1.47 0.43 -0.76 5.15 2.07 -1.41 -2.30 116.25 120.90 1rxs h VAL 2031Ca 0.00 -0.02 0.10 0.00 0.82 0.00 0.00 66.70 67.60 1rxs h VAL 2031Cb 0.62 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1rxs h VAL 2031CO 0.00 0.00 0.40 -0.08 0.02 0.00 0.00 177.57 177.91 1rxs h GLU 2032N -0.79 0.64 -0.71 1.57 4.81 -1.78 -0.52 114.58 117.81 1rxs h GLU 2032Ca -0.08 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1rxs h GLU 2032Cb 0.60 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1rxs h GLU 2032CO 0.13 0.42 0.40 0.87 -0.73 0.00 0.00 179.01 180.11 1rxs h LYS 2033N 0.66 0.72 0.02 1.92 6.56 -1.74 0.00 116.57 124.71 1rxs h LYS 2033Ca 0.38 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1rxs h LYS 2033Cb 0.41 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1rxs h LYS 2033CO -0.28 0.48 -0.01 0.82 -2.06 0.00 0.00 179.45 178.40 1rxs h ILE 2034N 0.74 1.31 -0.93 1.86 2.04 -0.79 -3.04 117.51 118.70 1rxs h ILE 2034Ca 0.31 -1.02 0.16 0.00 1.00 0.00 0.00 64.86 65.32 1rxs h ILE 2034Cb 0.18 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 1rxs h ILE 2034CO -0.18 0.26 0.60 0.00 0.00 0.00 0.00 178.15 178.83 1rxs h ALA 2035N 0.50 1.84 0.00 1.87 0.00 -0.82 -1.09 119.26 121.56 1rxs h ALA 2035Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rxs h ALA 2035Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rxs h ALA 2035CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1rxs h ALA 2036N 1.60 1.00 0.00 0.00 0.00 -0.88 -0.83 119.26 120.16 1rxs h ALA 2036Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1rxs h ALA 2036Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1rxs h ALA 2036CO -0.25 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1rxs n LEU 2037N -2.35 0.00 0.00 0.00 4.77 -0.41 -4.86 117.00 114.15 1rxs n LEU 2037Ca 0.01 0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1rxs n LEU 2037Cb 0.18 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1rxs n LEU 2037CO 0.18 -0.02 -0.01 0.23 -1.33 0.00 0.00 177.39 176.44 1rxs n MET 2038N -1.31 1.58 -3.64 3.23 2.81 -0.32 -5.13 117.12 114.35 1rxs n MET 2038Ca 0.13 -0.56 -0.31 0.00 -1.81 0.00 0.00 57.70 55.15 1rxs n MET 2038Cb 0.24 0.11 -0.04 0.00 -0.71 0.00 0.00 33.22 32.81 1rxs n MET 2038CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rxs s ASP 2039N -1.48 6.48 -1.37 7.83 -0.00 0.46 -4.57 116.67 124.04 1rxs s ASP 2039Ca 0.02 0.59 -0.08 0.00 -0.00 0.00 0.00 52.55 53.08 1rxs s ASP 2039Cb -0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 42.92 40.83 1rxs s ASP 2039CO 0.02 0.02 0.43 0.29 -0.00 0.00 0.00 175.17 175.92 1rxs n LYS 2040N -0.08 -2.02 -2.13 8.23 5.02 -1.26 0.81 118.16 126.72 1rxs n LYS 2040Ca -0.02 0.30 -0.41 0.00 -2.02 0.00 0.00 58.31 56.16 1rxs n LYS 2040Cb 0.52 -3.98 -0.02 0.00 -0.02 0.00 0.00 35.03 31.53 1rxs n LYS 2040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1rxs s PRO 2041N -6.76 4.36 -0.15 1.97 0.04 -1.26 -4.49 135.00 128.72 1rxs s PRO 2041Ca 0.15 2.19 -0.07 0.00 0.04 0.00 0.00 61.00 63.31 1rxs s PRO 2041Cb -0.07 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.46 1rxs s PRO 2041CO 0.92 -0.17 0.34 0.08 0.04 0.00 0.00 177.00 178.21 1rxs s VAL 2042N -1.14 -0.17 0.04 -0.36 1.01 0.04 -5.00 120.40 114.82 1rxs s VAL 2042Ca 0.49 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1rxs s VAL 2042Cb -0.39 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1rxs s VAL 2042CO 0.52 0.06 1.17 -0.75 0.00 0.00 0.00 175.10 176.10 1rxs s LYS 2043N 1.66 4.44 -0.25 2.72 2.20 -1.26 -0.70 119.74 128.56 1rxs s LYS 2043Ca -0.07 1.71 -0.08 0.00 -0.36 0.00 0.00 55.97 57.18 1rxs s LYS 2043Cb -0.10 -3.38 -0.16 0.00 -1.51 0.00 0.00 37.83 32.68 1rxs s LYS 2043CO -0.11 -0.25 -0.17 1.28 -0.36 0.00 0.00 175.35 175.74 1rxs n LEU 2044N 4.04 2.42 -3.52 5.43 4.77 0.13 -4.92 117.00 125.37 1rxs n LEU 2044Ca 0.09 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1rxs n LEU 2044Cb 0.47 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1rxs n LEU 2044CO 0.55 0.72 0.70 0.00 -1.33 0.00 0.00 177.39 178.03 1rxs s ALA 2045N -2.50 -1.85 -0.22 -1.18 0.00 -1.07 -5.01 121.76 109.94 1rxs s ALA 2045Ca -0.35 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1rxs s ALA 2045Cb 0.11 0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.56 1rxs s ALA 2045CO 0.57 -0.62 0.34 0.45 0.00 0.00 0.00 175.76 176.50 1rxs s SER 2046N -2.23 0.42 -0.05 0.00 0.15 -1.26 -0.79 113.70 109.94 1rxs s SER 2046Ca 0.04 0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.93 1rxs s SER 2046Cb -0.01 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1rxs s SER 2046CO -0.07 -0.29 0.12 -1.00 1.20 0.00 0.00 173.24 173.20 1rxs s HIS 2047N 2.50 -0.13 0.00 3.44 3.76 -0.24 -5.00 115.29 119.62 1rxs s HIS 2047Ca 0.09 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 1rxs s HIS 2047Cb -0.15 -0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1rxs s HIS 2047CO -0.14 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1rxs n ARG 2048N 3.84 0.00 -0.03 1.40 1.74 -1.26 0.09 116.66 122.43 1rxs n ARG 2048Ca -0.22 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1rxs n ARG 2048Cb 0.54 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 32.44 1rxs n ARG 2048CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rxs n GLU 2049N 14.00 1.30 -3.38 5.56 0.00 -1.26 -4.76 120.64 132.10 1rxs n GLU 2049Ca 0.00 -0.45 -0.45 0.00 0.00 0.00 0.00 57.16 56.26 1rxs n GLU 2049Cb 0.00 -1.32 -0.06 0.00 0.00 0.00 0.00 31.44 30.05 1rxs n GLU 2049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1rxs s PHE 2050N -1.91 3.28 -0.15 -1.84 0.08 0.11 -4.09 117.98 113.47 1rxs s PHE 2050Ca 0.29 -1.34 -0.03 0.00 0.12 0.00 0.00 56.93 55.96 1rxs s PHE 2050Cb 0.14 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 1rxs s PHE 2050CO 0.23 -0.97 -0.04 0.99 -0.10 0.00 0.00 175.22 175.32 1rxs s THR 2051N 1.56 3.85 -0.11 0.64 2.01 -1.26 -1.08 115.64 121.25 1rxs s THR 2051Ca 0.04 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1rxs s THR 2051Cb -0.28 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1rxs s THR 2051CO 0.03 0.50 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.40 1rxs s THR 2052N 0.33 1.60 0.16 -0.82 2.01 0.03 -1.59 115.64 117.36 1rxs s THR 2052Ca -0.04 -0.71 0.10 0.00 0.31 0.00 0.00 61.69 61.35 1rxs s THR 2052Cb -0.14 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1rxs s THR 2052CO 0.03 0.46 -0.22 0.26 -0.69 0.00 0.00 174.62 174.46 1rxs s TRP 2053N 0.91 2.39 -0.01 4.92 0.52 0.35 0.22 118.94 128.25 1rxs s TRP 2053Ca -0.08 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1rxs s TRP 2053Cb -0.15 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1rxs s TRP 2053CO -0.01 0.43 -0.12 0.50 0.02 0.00 0.00 176.95 177.78 1rxs s ARG 2054N -2.41 2.43 0.34 4.98 3.52 0.13 -0.31 118.95 127.63 1rxs s ARG 2054Ca 0.19 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1rxs s ARG 2054Cb -0.09 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1rxs s ARG 2054CO 0.09 0.60 0.37 0.00 -0.81 0.00 0.00 175.30 175.55 1rxs n ALA 2055N 1.81 0.27 -2.66 6.12 0.00 -0.17 -0.78 120.51 125.11 1rxs n ALA 2055Ca -0.16 -1.80 -0.30 0.00 0.00 0.00 0.00 53.44 51.18 1rxs n ALA 2055Cb 0.52 1.46 -0.16 0.00 0.00 0.00 0.00 19.45 21.27 1rxs n ALA 2055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1rxs s GLU 2056N -3.11 2.28 -0.11 0.00 2.12 0.24 -0.28 118.70 119.83 1rxs s GLU 2056Ca 0.35 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 1rxs s GLU 2056Cb 0.01 -2.00 0.03 0.00 0.26 0.00 0.00 34.13 32.43 1rxs s GLU 2056CO 0.25 0.40 -0.04 -1.17 -0.54 0.00 0.00 175.26 174.16 1rxs s LEU 2057N -0.24 1.03 -1.57 2.70 2.96 0.83 -0.40 118.68 124.00 1rxs s LEU 2057Ca -0.00 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1rxs s LEU 2057Cb -0.12 -0.71 0.06 0.00 0.50 0.00 0.00 46.19 45.92 1rxs s LEU 2057CO 0.02 -0.16 0.40 0.47 -1.32 0.00 0.00 176.35 175.77 1rxs n ASP 2058N 5.01 -0.81 0.00 3.68 8.00 -1.26 -0.90 116.55 130.27 1rxs n ASP 2058Ca -0.10 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1rxs n ASP 2058Cb 0.50 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 1rxs n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rxs n GLY 2059N -1.92 0.61 3.52 0.44 0.00 -1.26 -5.02 105.19 101.56 1rxs n GLY 2059Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1rxs n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rxs s LYS 2060N -0.31 2.66 0.29 1.61 -0.14 -0.08 -5.07 119.74 118.71 1rxs s LYS 2060Ca 0.00 -0.62 -0.29 0.00 -1.36 0.00 0.00 55.97 53.70 1rxs s LYS 2060Cb 0.00 -2.49 -0.10 0.00 -1.68 0.00 0.00 37.83 33.56 1rxs s LYS 2060CO 0.00 0.62 1.33 -1.25 -0.76 0.00 0.00 175.35 175.30 1rxs s PRO 2061N -0.72 4.35 0.01 -1.68 0.04 -1.26 -0.12 135.00 135.62 1rxs s PRO 2061Ca 0.11 2.20 0.02 0.00 0.04 0.00 0.00 61.00 63.37 1rxs s PRO 2061Cb -0.11 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 1rxs s PRO 2061CO 0.01 -0.24 -0.05 0.08 0.04 0.00 0.00 177.00 176.84 1rxs s VAL 2062N -0.72 0.40 -0.12 -0.36 1.01 0.61 -4.43 120.40 116.80 1rxs s VAL 2062Ca 0.52 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1rxs s VAL 2062Cb -0.40 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1rxs s VAL 2062CO 0.48 -0.11 0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1rxs s ILE 2063N -0.64 4.51 -0.19 2.22 -1.09 -0.79 -1.00 121.20 124.23 1rxs s ILE 2063Ca -0.04 -0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.21 1rxs s ILE 2063Cb -0.05 -2.94 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 1rxs s ILE 2063CO -0.00 0.57 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.48 1rxs s VAL 2064N -0.54 2.86 -0.03 2.92 1.01 0.58 -0.44 120.40 126.76 1rxs s VAL 2064Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1rxs s VAL 2064Cb -0.12 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1rxs s VAL 2064CO 0.02 0.48 0.01 0.00 0.00 0.00 0.00 175.10 175.61 1rxs s SER 2066N 1.01 6.92 -0.00 0.00 1.04 -0.62 -3.35 113.70 118.69 1rxs s SER 2066Ca -0.10 1.36 0.22 0.00 0.48 0.00 0.00 55.95 57.91 1rxs s SER 2066Cb -0.13 -2.40 -0.28 0.00 0.10 0.00 0.00 66.02 63.30 1rxs s SER 2066CO -0.02 -0.10 0.59 0.35 0.98 0.00 0.00 173.24 175.04 1rxs n THR 2067N 0.15 0.07 -1.49 2.02 -2.24 -0.40 -4.39 114.28 107.99 1rxs n THR 2067Ca 0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1rxs n THR 2067Cb 0.52 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1rxs n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rxs n GLY 2068N 1.28 -2.26 3.71 3.38 0.00 -0.20 -3.46 105.19 107.64 1rxs n GLY 2068Ca -0.03 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1rxs n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 2069N -0.61 5.10 0.00 -0.61 1.01 -1.26 -4.66 121.20 120.17 1rxs s ILE 2069Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1rxs s ILE 2069Cb 0.00 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1rxs s ILE 2069CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1rxs n GLY 2070N 3.29 2.57 0.38 6.18 0.00 -1.26 -4.59 105.19 111.75 1rxs n GLY 2070Ca -0.04 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 1rxs n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1rxs h GLY 2071N 0.00 -0.06 0.45 -0.02 0.00 -1.86 -2.19 103.07 99.38 1rxs h GLY 2071Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1rxs h GLY 2071CO 0.00 -0.19 -0.22 -2.55 0.00 0.00 0.00 176.54 173.59 1rxs h PRO 2072N -0.06 -0.31 -0.10 4.80 0.11 -1.94 0.45 132.00 134.94 1rxs h PRO 2072Ca 0.29 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 1rxs h PRO 2072Cb 0.57 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1rxs h PRO 2072CO -0.88 -0.21 -0.34 0.66 -0.21 0.00 0.00 178.00 177.02 1rxs h SER 2073N -0.32 0.20 -0.55 -2.05 4.64 -1.78 -2.38 113.55 111.31 1rxs h SER 2073Ca 0.07 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1rxs h SER 2073Cb 0.42 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 1rxs h SER 2073CO -0.22 0.54 0.27 0.74 -0.87 0.00 0.00 176.83 177.28 1rxs h THR 2074N 0.17 1.20 -0.42 2.95 2.02 -0.70 -1.53 112.91 116.60 1rxs h THR 2074Ca 0.02 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 1rxs h THR 2074Cb 0.69 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1rxs h THR 2074CO 0.05 0.22 0.13 0.77 0.37 0.00 0.00 175.52 177.06 1rxs h SER 2075N 0.73 0.55 -0.04 4.18 4.64 0.37 -0.74 113.55 123.24 1rxs h SER 2075Ca 0.19 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1rxs h SER 2075Cb 0.10 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1rxs h SER 2075CO -0.03 0.53 -0.01 0.40 -0.87 0.00 0.00 176.83 176.86 1rxs h ILE 2076N 0.60 1.30 -0.38 0.95 2.04 -1.06 -2.03 117.51 118.92 1rxs h ILE 2076Ca 0.14 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1rxs h ILE 2076Cb 0.18 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1rxs h ILE 2076CO -0.01 0.25 0.16 0.00 0.00 0.00 0.00 178.15 178.55 1rxs h ALA 2077N 0.65 0.46 -0.35 1.87 0.00 -0.82 -1.44 119.26 119.63 1rxs h ALA 2077Ca 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1rxs h ALA 2077Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rxs h ALA 2077CO 0.00 -0.21 -0.32 0.28 0.00 0.00 0.00 179.25 179.00 1rxs h VAL 2078N 0.34 1.28 -0.23 0.00 2.07 -1.17 0.01 116.25 118.56 1rxs h VAL 2078Ca 0.17 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.19 1rxs h VAL 2078Cb 0.11 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1rxs h VAL 2078CO -0.14 0.49 0.13 -0.08 0.02 0.00 0.00 177.57 177.99 1rxs h GLU 2079N 0.62 0.32 -0.07 1.57 4.57 -1.20 0.56 114.58 120.95 1rxs h GLU 2079Ca 0.06 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.01 1rxs h GLU 2079Cb 0.90 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1rxs h GLU 2079CO 0.08 0.27 -0.79 0.93 -1.18 0.00 0.00 179.01 178.32 1rxs h GLU 2080N 0.27 0.46 -0.87 1.92 5.08 -1.15 -1.50 114.58 118.80 1rxs h GLU 2080Ca 0.08 -0.41 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1rxs h GLU 2080Cb 0.04 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1rxs h GLU 2080CO -0.01 1.05 0.45 -0.07 -1.00 0.00 0.00 179.01 179.42 1rxs h LEU 2081N 0.30 1.11 -0.67 1.33 3.38 -0.92 -2.34 115.31 117.50 1rxs h LEU 2081Ca -0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1rxs h LEU 2081Cb 1.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1rxs h LEU 2081CO 0.14 0.91 0.34 0.00 0.09 0.00 0.00 178.44 179.92 1rxs h ALA 2082N 1.24 0.87 -0.30 1.53 0.00 -0.50 -1.14 119.26 120.95 1rxs h ALA 2082Ca 0.30 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1rxs h ALA 2082Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1rxs h ALA 2082CO -0.04 0.41 0.21 1.96 0.00 0.00 0.00 179.25 181.78 1rxs h GLN 2083N 0.93 0.22 -0.00 0.00 4.20 -1.06 -0.70 115.11 118.70 1rxs h GLN 2083Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1rxs h GLN 2083Cb 0.09 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1rxs h GLN 2083CO -0.03 0.15 -0.21 1.28 -0.67 0.00 0.00 178.83 179.35 1rxs n LEU 2084N -4.49 0.45 0.00 1.46 4.32 -0.58 -4.92 117.00 113.24 1rxs n LEU 2084Ca 0.03 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1rxs n LEU 2084Cb 0.21 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1rxs n LEU 2084CO 0.35 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 1rxs n GLY 2085N 1.39 1.22 3.75 -0.72 0.00 -0.27 -4.77 105.19 105.79 1rxs n GLY 2085Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1rxs n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rxs s ILE 2086N -2.00 2.84 0.00 -0.61 -1.09 -0.54 -4.47 121.20 115.33 1rxs s ILE 2086Ca 0.00 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1rxs s ILE 2086Cb 0.00 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1rxs s ILE 2086CO 0.00 0.15 0.04 0.54 -1.23 0.00 0.00 174.94 174.43 1rxs n ARG 2087N 1.72 3.34 -3.99 2.79 5.12 0.11 -4.29 116.66 121.46 1rxs n ARG 2087Ca 0.03 -0.04 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 1rxs n ARG 2087Cb 0.42 -0.35 -0.17 0.00 -1.16 0.00 0.00 32.46 31.20 1rxs n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1rxs s THR 2088N -0.49 0.45 -0.15 0.55 2.01 -0.89 -1.39 115.64 115.74 1rxs s THR 2088Ca 0.00 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1rxs s THR 2088Cb 0.00 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1rxs s THR 2088CO 0.00 0.23 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.60 1rxs s PHE 2089N 1.30 2.55 -0.29 4.92 0.08 0.93 -0.73 117.98 126.74 1rxs s PHE 2089Ca -0.05 -1.37 -0.00 0.00 0.12 0.00 0.00 56.93 55.63 1rxs s PHE 2089Cb -0.13 -1.77 0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1rxs s PHE 2089CO -0.02 -0.66 -0.02 -0.51 -0.10 0.00 0.00 175.22 173.90 1rxs s LEU 2090N 1.05 3.81 0.04 -0.37 1.43 -0.24 -1.09 118.68 123.31 1rxs s LEU 2090Ca -0.02 -1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 51.52 1rxs s LEU 2090Cb -0.14 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 1rxs s LEU 2090CO -0.06 -0.25 0.70 -0.60 0.23 0.00 0.00 176.35 176.37 1rxs s ARG 2091N 1.21 4.42 -0.14 1.70 3.52 -0.53 -0.31 118.95 128.80 1rxs s ARG 2091Ca -0.06 0.94 0.01 0.00 -0.13 0.00 0.00 55.73 56.50 1rxs s ARG 2091Cb -0.20 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1rxs s ARG 2091CO -0.02 0.36 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.15 1rxs s ILE 2092N -0.27 1.82 0.36 4.11 -1.16 -1.20 -1.51 121.20 123.35 1rxs s ILE 2092Ca 0.35 -0.82 0.05 0.00 -0.51 0.00 0.00 60.65 59.72 1rxs s ILE 2092Cb -0.20 -1.65 -0.03 0.00 0.61 0.00 0.00 42.46 41.19 1rxs s ILE 2092CO 0.21 0.50 0.19 -0.83 -2.81 0.00 0.00 174.94 172.20 1rxs s GLY 2093N 1.11 2.40 0.13 1.50 0.00 -0.30 -3.85 107.32 108.31 1rxs s GLY 2093Ca -0.01 -1.63 0.05 0.00 0.00 0.00 0.00 44.72 43.12 1rxs s GLY 2093CO -0.06 -1.65 0.07 -0.51 0.00 0.00 0.00 173.10 170.95 1rxs s THR 2094N -3.38 4.31 0.05 0.90 -4.23 -1.26 -1.44 115.64 110.58 1rxs s THR 2094Ca 0.32 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 1rxs s THR 2094Cb 0.03 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.77 1rxs s THR 2094CO 0.20 0.01 0.38 0.28 -0.54 0.00 0.00 174.62 174.94 1rxs s THR 2095N -1.55 0.06 -0.21 3.99 -1.32 -0.71 -4.85 115.64 111.05 1rxs s THR 2095Ca 0.29 -0.53 -0.07 0.00 -1.21 0.00 0.00 61.69 60.17 1rxs s THR 2095Cb -0.11 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1rxs s THR 2095CO 0.21 -0.29 0.06 -0.83 -2.21 0.00 0.00 174.62 171.56 1rxs s GLY 2096N -2.07 1.82 0.47 6.08 0.00 -1.07 -0.62 107.32 111.92 1rxs s GLY 2096Ca -0.05 -0.94 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1rxs s GLY 2096CO -0.03 0.27 0.99 0.00 0.00 0.00 0.00 173.10 174.33 1rxs s ALA 2097N 0.97 2.97 0.00 3.20 0.00 0.19 -0.91 121.76 128.18 1rxs s ALA 2097Ca 0.03 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1rxs s ALA 2097Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1rxs s ALA 2097CO 0.03 -0.11 0.55 0.44 0.00 0.00 0.00 175.76 176.67 1rxs n ILE 2098N -0.91 0.25 -3.63 0.00 -5.35 0.62 -0.58 119.36 109.77 1rxs n ILE 2098Ca 0.08 -0.52 -0.38 0.00 -0.27 0.00 0.00 62.75 61.66 1rxs n ILE 2098Cb 0.53 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 1rxs n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rxs s GLN 2099N -0.25 3.76 0.57 6.28 -1.52 -1.23 -4.71 119.66 122.56 1rxs s GLN 2099Ca 0.00 0.23 0.34 0.00 -1.95 0.00 0.00 55.36 53.99 1rxs s GLN 2099Cb 0.00 -3.21 1.64 0.00 -0.22 0.00 0.00 33.01 31.22 1rxs s GLN 2099CO 0.00 0.72 2.10 -1.00 -0.25 0.00 0.00 175.29 176.86 1rxs h PRO 2100N 4.79 0.00 -0.01 2.91 0.13 -1.96 -2.96 132.00 134.90 1rxs h PRO 2100Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1rxs h PRO 2100Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rxs h PRO 2100CO 0.60 0.05 -0.32 -2.39 -0.23 0.00 0.00 178.00 175.71 1rxs n HIS 2101N -3.24 0.00 -3.30 1.56 1.44 -1.26 -4.82 115.22 105.60 1rxs n HIS 2101Ca -0.01 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.32 1rxs n HIS 2101Cb 0.24 -0.17 -0.06 0.00 0.12 0.00 0.00 29.99 30.11 1rxs n HIS 2101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rxs s ILE 2102N -2.66 5.15 0.07 0.61 1.01 -1.12 -5.06 121.20 119.20 1rxs s ILE 2102Ca 0.20 0.92 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1rxs s ILE 2102Cb 0.19 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1rxs s ILE 2102CO 0.57 0.25 0.18 0.20 0.00 0.00 0.00 174.94 176.15 1rxs s ASN 2103N 0.91 6.16 0.06 3.58 0.01 -1.26 -4.87 114.94 119.53 1rxs s ASN 2103Ca 0.24 0.20 -0.36 0.00 -0.71 0.00 0.00 52.86 52.23 1rxs s ASN 2103Cb -0.15 -1.84 -0.16 0.00 0.41 0.00 0.00 41.25 39.51 1rxs s ASN 2103CO 0.10 0.16 1.48 0.52 -1.51 0.00 0.00 177.10 177.84 1rxs n VAL 2104N 0.27 0.06 0.00 1.60 0.31 -1.26 -1.25 118.33 118.06 1rxs n VAL 2104Ca -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1rxs n VAL 2104Cb 0.51 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1rxs n VAL 2104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxs n GLY 2105N 3.04 2.78 3.75 2.92 0.00 0.20 -5.00 105.19 112.89 1rxs n GLY 2105Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1rxs n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxs s ASP 2106N -1.29 4.45 -0.12 1.61 1.01 -0.38 -4.69 116.67 117.25 1rxs s ASP 2106Ca 0.00 2.06 -0.02 0.00 0.71 0.00 0.00 52.55 55.30 1rxs s ASP 2106Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1rxs s ASP 2106CO 0.00 -2.08 -0.05 -0.69 0.21 0.00 0.00 175.17 172.56 1rxs s VAL 2107N -2.45 3.81 -0.18 -1.27 1.01 -0.77 -1.29 120.40 119.26 1rxs s VAL 2107Ca 0.67 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1rxs s VAL 2107Cb -0.22 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1rxs s VAL 2107CO 0.48 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 175.17 1rxs s LEU 2108N -0.08 2.18 -0.21 3.92 1.43 0.44 -1.15 118.68 125.21 1rxs s LEU 2108Ca 0.01 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1rxs s LEU 2108Cb -0.13 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1rxs s LEU 2108CO 0.03 0.01 0.09 -0.69 0.23 0.00 0.00 176.35 176.02 1rxs s VAL 2109N 1.21 4.82 -0.22 -1.59 1.01 -0.33 -1.29 120.40 124.02 1rxs s VAL 2109Ca 0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1rxs s VAL 2109Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1rxs s VAL 2109CO -0.10 0.40 0.54 -0.89 0.00 0.00 0.00 175.10 175.04 1rxs s THR 2110N 0.86 5.08 -0.04 3.92 2.01 -0.72 -1.71 115.64 125.05 1rxs s THR 2110Ca 0.05 0.98 -0.03 0.00 0.31 0.00 0.00 61.69 63.00 1rxs s THR 2110Cb -0.13 -3.86 -0.27 0.00 0.01 0.00 0.00 72.50 68.25 1rxs s THR 2110CO 0.03 0.14 0.69 0.71 -0.69 0.00 0.00 174.62 175.50 1rxs h THR 2111N 5.21 0.96 -2.67 -0.82 1.35 -1.25 -3.41 112.91 112.29 1rxs h THR 2111Ca -0.32 -2.64 0.05 0.00 -0.55 0.00 0.00 66.41 62.95 1rxs h THR 2111Cb 1.15 2.65 -0.13 0.00 -1.73 0.00 0.00 68.15 70.09 1rxs h THR 2111CO 0.74 0.79 0.34 0.00 -0.25 0.00 0.00 175.52 177.15 1rxs s ALA 2112N -2.60 -1.68 0.08 6.62 0.00 -1.26 -0.62 121.76 122.30 1rxs s ALA 2112Ca -0.12 0.67 0.09 0.00 0.00 0.00 0.00 51.96 52.60 1rxs s ALA 2112Cb 0.07 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1rxs s ALA 2112CO 0.83 -0.76 -0.25 -1.12 0.00 0.00 0.00 175.76 174.46 1rxs s SER 2113N -2.65 3.04 -0.07 0.00 0.01 0.33 -2.14 113.70 112.22 1rxs s SER 2113Ca 0.03 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 1rxs s SER 2113Cb -0.01 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1rxs s SER 2113CO -0.10 0.20 1.22 -0.69 0.41 0.00 0.00 173.24 174.28 1rxs s VAL 2114N -0.92 4.24 -1.11 3.43 1.01 0.13 -4.33 120.40 122.85 1rxs s VAL 2114Ca 0.11 1.55 -0.17 0.00 0.00 0.00 0.00 61.98 63.48 1rxs s VAL 2114Cb -0.10 -4.00 0.13 0.00 0.00 0.00 0.00 36.38 32.41 1rxs s VAL 2114CO 0.04 -0.02 1.38 -0.13 0.00 0.00 0.00 175.10 176.36 1rxs s ARG 2115N 2.44 3.86 -0.41 2.72 0.52 -1.26 -1.64 118.95 125.19 1rxs s ARG 2115Ca 0.56 -2.07 0.02 0.00 -0.52 0.00 0.00 55.73 53.72 1rxs s ARG 2115Cb -0.24 -5.12 0.50 0.00 0.52 0.00 0.00 34.95 30.61 1rxs s ARG 2115CO 0.21 -1.89 1.81 1.28 0.02 0.00 0.00 175.30 176.73 1rxs n LEU 2116N 6.68 6.32 -4.64 2.53 4.77 -0.27 -4.97 117.00 127.43 1rxs n LEU 2116Ca 0.34 -3.37 -0.29 0.00 -0.03 0.00 0.00 56.01 52.66 1rxs n LEU 2116Cb 0.46 -0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1rxs n LEU 2116CO 0.61 1.05 -0.28 1.51 -1.33 0.00 0.00 177.39 178.95 1rxs s ASP 2117N -0.91 3.79 -0.21 -1.43 3.84 -1.22 -1.92 116.67 118.61 1rxs s ASP 2117Ca 0.47 -1.44 0.09 0.00 -0.00 0.00 0.00 52.55 51.67 1rxs s ASP 2117Cb 0.39 -0.14 -0.19 0.00 -1.38 0.00 0.00 42.92 41.60 1rxs s ASP 2117CO 0.06 -0.57 -0.08 0.61 -0.00 0.00 0.00 175.17 175.20 1rxs n GLY 2118N -1.01 -0.61 0.22 2.12 0.00 -1.26 -4.59 105.19 100.05 1rxs n GLY 2118Ca -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1rxs n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs h ALA 2119N 0.44 1.20 -0.52 4.61 0.00 -1.98 -2.84 119.26 120.16 1rxs h ALA 2119Ca -0.52 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1rxs h ALA 2119Cb 1.99 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1rxs h ALA 2119CO -0.03 0.53 0.28 0.66 0.00 0.00 0.00 179.25 180.69 1rxs h SER 2120N 0.27 0.64 0.00 0.00 4.64 -1.85 0.10 113.55 117.35 1rxs h SER 2120Ca 0.04 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rxs h SER 2120Cb 0.67 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rxs h SER 2120CO 0.05 0.52 0.09 -0.07 -0.87 0.00 0.00 176.83 176.55 1rxs h LEU 2121N 0.73 0.00 -0.11 5.97 3.38 -1.60 -0.52 115.31 123.17 1rxs h LEU 2121Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rxs h LEU 2121Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1rxs h LEU 2121CO -0.03 0.00 -0.11 1.41 0.09 0.00 0.00 178.44 179.80 1rxs n HIS 2122N -2.78 0.00 -0.03 1.13 8.25 0.36 -4.05 115.22 118.10 1rxs n HIS 2122Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1rxs n HIS 2122Cb 0.14 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 1rxs n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1rxs n PHE 2123N -1.20 0.00 -3.61 4.41 3.72 -0.25 -5.07 117.46 115.46 1rxs n PHE 2123Ca 0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1rxs n PHE 2123Cb 0.29 -0.24 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 1rxs n PHE 2123CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rxs s ALA 2124N -2.12 -1.38 0.96 4.37 0.00 -0.89 -5.01 121.76 117.68 1rxs s ALA 2124Ca -0.06 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1rxs s ALA 2124Cb 0.02 0.07 0.16 0.00 0.00 0.00 0.00 23.12 23.37 1rxs s ALA 2124CO 0.17 -0.35 1.09 -1.25 0.00 0.00 0.00 175.76 175.42 1rxs s PRO 2125N -1.39 0.75 0.42 0.00 0.04 -1.26 -3.79 135.00 129.77 1rxs s PRO 2125Ca -0.11 0.78 0.09 0.00 0.04 0.00 0.00 61.00 61.79 1rxs s PRO 2125Cb -0.02 -1.75 0.90 0.00 0.04 0.00 0.00 34.50 33.67 1rxs s PRO 2125CO 0.07 -2.58 2.05 1.25 0.04 0.00 0.00 177.00 177.83 1rxs h LEU 2126N -1.79 0.43 0.00 -3.56 5.85 -1.94 -2.09 115.31 112.22 1rxs h LEU 2126Ca -0.52 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1rxs h LEU 2126Cb 1.30 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1rxs h LEU 2126CO 0.54 0.31 0.00 -1.84 -0.34 0.00 0.00 178.44 177.11 1rxs n GLU 2127N -4.48 0.04 -2.92 1.25 0.00 -1.26 -4.65 120.64 108.62 1rxs n GLU 2127Ca 0.04 0.29 -0.40 0.00 0.00 0.00 0.00 57.16 57.09 1rxs n GLU 2127Cb 0.11 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.00 1rxs n GLU 2127CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1rxs s PHE 2128N -2.89 3.73 0.11 -1.84 5.36 -0.79 -5.01 117.98 116.66 1rxs s PHE 2128Ca 0.06 1.53 -0.30 0.00 -0.96 0.00 0.00 56.93 57.26 1rxs s PHE 2128Cb 0.07 -2.89 -0.06 0.00 -0.34 0.00 0.00 43.02 39.80 1rxs s PHE 2128CO 0.18 0.22 1.15 -1.25 -1.46 0.00 0.00 175.22 174.06 1rxs s PRO 2129N 0.11 4.51 -1.46 10.12 0.04 -1.26 -4.93 135.00 142.12 1rxs s PRO 2129Ca 0.41 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 1rxs s PRO 2129Cb -0.21 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.05 1rxs s PRO 2129CO 0.24 -0.10 2.30 0.00 0.04 0.00 0.00 177.00 179.48 1rxs n ALA 2130N 3.19 5.85 -2.87 8.56 0.00 -1.26 -4.76 120.51 129.22 1rxs n ALA 2130Ca 0.06 -3.88 -0.37 0.00 0.00 0.00 0.00 53.44 49.25 1rxs n ALA 2130Cb 0.46 -3.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.42 1rxs n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rxs s VAL 2131N 2.63 5.50 0.60 0.00 0.11 -1.26 -0.51 120.40 127.47 1rxs s VAL 2131Ca 0.50 0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 1rxs s VAL 2131Cb 0.14 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 31.54 1rxs s VAL 2131CO -0.07 0.61 1.01 0.00 -3.33 0.00 0.00 175.10 173.31 1rxs s ALA 2132N -1.04 3.12 0.35 1.54 0.00 0.21 -4.65 121.76 121.30 1rxs s ALA 2132Ca 0.16 -0.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 1rxs s ALA 2132Cb -0.12 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1rxs s ALA 2132CO 0.05 -0.63 1.15 0.34 0.00 0.00 0.00 175.76 176.66 1rxs s ASP 2133N -4.10 6.82 0.19 0.00 -1.08 0.26 -4.92 116.67 113.83 1rxs s ASP 2133Ca 0.55 2.32 -0.03 0.00 -0.52 0.00 0.00 52.55 54.87 1rxs s ASP 2133Cb -0.11 -2.62 0.10 0.00 -1.46 0.00 0.00 42.92 38.83 1rxs s ASP 2133CO 0.52 -0.47 1.49 0.15 0.52 0.00 0.00 175.17 177.38 1rxs h PHE 2134N 3.08 0.68 -0.41 -5.34 3.04 -1.96 0.28 116.94 116.32 1rxs h PHE 2134Ca -0.48 -0.25 -0.10 0.00 3.98 0.00 0.00 57.97 61.12 1rxs h PHE 2134Cb 1.22 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 1rxs h PHE 2134CO 0.57 0.99 -0.15 0.93 -2.02 0.00 0.00 178.31 178.63 1rxs h GLU 2135N 0.41 0.82 -0.11 1.11 5.08 -1.95 -1.04 114.58 118.89 1rxs h GLU 2135Ca 0.00 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1rxs h GLU 2135Cb 1.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1rxs h GLU 2135CO 0.11 0.96 0.03 0.00 -1.00 0.00 0.00 179.01 179.12 1rxs h THR 2137N -0.01 1.05 -0.31 0.00 2.02 -0.95 0.15 112.91 114.87 1rxs h THR 2137Ca 0.04 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1rxs h THR 2137Cb 0.22 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1rxs h THR 2137CO -0.00 0.15 0.20 0.74 0.37 0.00 0.00 175.52 176.98 1rxs h THR 2138N 0.80 1.08 -0.43 3.16 2.02 -0.77 0.03 112.91 118.80 1rxs h THR 2138Ca 0.29 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.35 1rxs h THR 2138Cb 0.09 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1rxs h THR 2138CO -0.14 0.08 0.24 0.00 0.37 0.00 0.00 175.52 176.07 1rxs h ALA 2139N 1.11 0.54 -0.39 6.16 0.00 -0.30 0.12 119.26 126.50 1rxs h ALA 2139Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1rxs h ALA 2139Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1rxs h ALA 2139CO -0.02 -0.10 0.07 -0.07 0.00 0.00 0.00 179.25 179.13 1rxs h LEU 2140N 0.48 0.62 -0.07 0.00 3.38 -0.61 0.77 115.31 119.87 1rxs h LEU 2140Ca 0.18 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1rxs h LEU 2140Cb 0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1rxs h LEU 2140CO -0.10 0.71 0.04 0.58 0.09 0.00 0.00 178.44 179.76 1rxs h VAL 2141N 0.50 1.10 -0.76 1.22 2.07 -0.59 -1.53 116.25 118.25 1rxs h VAL 2141Ca 0.12 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1rxs h VAL 2141Cb 0.35 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1rxs h VAL 2141CO 0.01 0.09 0.47 -0.33 0.02 0.00 0.00 177.57 177.82 1rxs h GLU 2142N 0.01 1.03 -0.32 1.57 5.08 -0.71 -1.13 114.58 120.10 1rxs h GLU 2142Ca 0.03 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1rxs h GLU 2142Cb 0.11 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 1rxs h GLU 2142CO -0.00 0.72 0.09 0.00 -1.00 0.00 0.00 179.01 178.82 1rxs h ALA 2143N 1.25 0.36 -0.60 3.43 0.00 -0.66 -1.66 119.26 121.37 1rxs h ALA 2143Ca 0.28 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1rxs h ALA 2143Cb -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rxs h ALA 2143CO -0.05 -0.31 0.19 0.00 0.00 0.00 0.00 179.25 179.07 1rxs h ALA 2144N 1.22 1.19 -0.69 0.00 0.00 -1.02 -1.97 119.26 118.00 1rxs h ALA 2144Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rxs h ALA 2144Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1rxs h ALA 2144CO -0.18 0.56 0.43 -0.22 0.00 0.00 0.00 179.25 179.84 1rxs h LYS 2145N 0.89 0.93 0.00 0.00 1.63 -0.70 -2.05 116.57 117.27 1rxs h LYS 2145Ca 0.20 -0.08 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 1rxs h LYS 2145Cb 0.26 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1rxs h LYS 2145CO -0.01 0.65 -0.57 0.66 -3.45 0.00 0.00 179.45 176.73 1rxs h SER 2146N 0.94 0.00 -0.00 4.20 4.64 -0.61 -2.60 113.55 120.12 1rxs h SER 2146Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1rxs h SER 2146Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1rxs h SER 2146CO -0.05 0.57 -0.03 2.30 -0.87 0.00 0.00 176.83 178.76 1rxs n ILE 2147N -3.41 0.00 -1.32 0.95 -5.35 -0.82 -4.97 119.36 104.45 1rxs n ILE 2147Ca 0.01 -0.30 -0.11 0.00 -0.27 0.00 0.00 62.75 62.08 1rxs n ILE 2147Cb 0.69 0.74 -0.05 0.00 -1.74 0.00 0.00 39.64 39.28 1rxs n ILE 2147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rxs n GLY 2148N 1.23 1.21 3.77 3.28 0.00 -0.80 -5.00 105.19 108.88 1rxs n GLY 2148Ca 0.17 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1rxs n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rxs s ALA 2149N -2.40 3.30 -0.11 4.61 0.00 -1.06 -4.97 121.76 121.12 1rxs s ALA 2149Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1rxs s ALA 2149Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1rxs s ALA 2149CO 0.00 -0.49 1.26 0.95 0.00 0.00 0.00 175.76 177.48 1rxs s THR 2150N -1.29 4.22 -0.03 0.00 -4.23 -1.26 -4.75 115.64 108.30 1rxs s THR 2150Ca 0.52 1.52 0.04 0.00 -1.18 0.00 0.00 61.69 62.59 1rxs s THR 2150Cb -0.33 -3.98 -0.00 0.00 1.34 0.00 0.00 72.50 69.52 1rxs s THR 2150CO 0.43 -0.08 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.39 1rxs s THR 2151N 2.95 1.28 -0.03 3.99 2.01 -1.26 -1.84 115.64 122.75 1rxs s THR 2151Ca 0.56 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1rxs s THR 2151Cb -0.24 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1rxs s THR 2151CO 0.18 0.37 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.26 1rxs s HIS 2152N -0.05 2.45 -0.14 4.92 3.76 -0.30 -4.98 115.29 120.95 1rxs s HIS 2152Ca -0.01 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1rxs s HIS 2152Cb -0.10 -1.53 0.01 0.00 1.11 0.00 0.00 32.58 32.07 1rxs s HIS 2152CO 0.01 0.04 -0.18 0.08 -0.85 0.00 0.00 174.74 173.84 1rxs s VAL 2153N -0.66 1.80 -2.29 -0.90 1.01 -1.26 -1.19 120.40 116.92 1rxs s VAL 2153Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1rxs s VAL 2153Cb -0.10 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1rxs s VAL 2153CO -0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1rxs n GLY 2154N 4.31 -0.67 3.84 4.51 0.00 -0.69 -4.98 105.19 111.51 1rxs n GLY 2154Ca -0.19 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 1rxs n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 2155N -4.00 4.95 -0.05 1.61 1.01 -1.26 -0.70 120.40 121.96 1rxs s VAL 2155Ca 0.00 0.84 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1rxs s VAL 2155Cb 0.00 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1rxs s VAL 2155CO 0.00 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.45 1rxs s THR 2156N -1.21 1.81 -0.18 3.92 2.01 -0.91 -0.91 115.64 120.16 1rxs s THR 2156Ca 0.29 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 1rxs s THR 2156Cb -0.16 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1rxs s THR 2156CO 0.16 0.51 0.77 0.00 -0.69 0.00 0.00 174.62 175.38 1rxs s ALA 2157N -0.15 3.53 -0.31 7.40 0.00 0.73 0.20 121.76 133.17 1rxs s ALA 2157Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1rxs s ALA 2157Cb -0.12 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1rxs s ALA 2157CO 0.03 -0.64 0.01 0.45 0.00 0.00 0.00 175.76 175.61 1rxs s SER 2158N 1.18 4.89 -0.10 0.00 0.15 -0.65 -1.55 113.70 117.62 1rxs s SER 2158Ca 0.35 -1.36 -0.00 0.00 0.70 0.00 0.00 55.95 55.64 1rxs s SER 2158Cb -0.16 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1rxs s SER 2158CO 0.11 -0.28 -0.08 -0.55 1.20 0.00 0.00 173.24 173.65 1rxs s SER 2159N 1.28 4.54 0.23 5.45 0.15 0.45 -1.12 113.70 124.69 1rxs s SER 2159Ca -0.04 -0.11 0.18 0.00 0.70 0.00 0.00 55.95 56.68 1rxs s SER 2159Cb -0.20 -1.39 0.90 0.00 -1.71 0.00 0.00 66.02 63.62 1rxs s SER 2159CO -0.02 0.28 1.56 0.47 1.20 0.00 0.00 173.24 176.73 1rxs n ASP 2160N 2.80 0.46 -4.31 5.45 9.92 -0.81 -4.36 116.55 125.71 1rxs n ASP 2160Ca -0.18 0.68 -0.18 0.00 -0.53 0.00 0.00 54.79 54.58 1rxs n ASP 2160Cb 0.53 -0.75 -0.10 0.00 -0.64 0.00 0.00 41.12 40.15 1rxs n ASP 2160CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1rxs s THR 2161N -3.36 1.60 -0.05 -3.53 -4.23 -1.26 -4.99 115.64 99.82 1rxs s THR 2161Ca 0.01 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 58.56 1rxs s THR 2161Cb 0.06 -1.89 -0.23 0.00 1.34 0.00 0.00 72.50 71.78 1rxs s THR 2161CO 0.23 -0.54 0.65 0.15 -0.54 0.00 0.00 174.62 174.57 1rxs h PHE 2162N 2.89 0.07 0.00 3.99 3.57 -1.97 -3.38 116.94 122.10 1rxs h PHE 2162Ca -0.39 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1rxs h PHE 2162Cb 1.21 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1rxs h PHE 2162CO 0.69 1.10 0.00 0.66 -2.23 0.00 0.00 178.31 178.53 1rxs n TYR 2163N -3.12 0.00 -0.16 0.41 4.01 -1.26 -4.32 117.16 112.72 1rxs n TYR 2163Ca -0.18 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.58 1rxs n TYR 2163Cb 1.05 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 40.38 1rxs n TYR 2163CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1rxs h PRO 2164N 0.00 0.85 0.00 -0.72 0.13 -1.88 -1.71 132.00 128.67 1rxs h PRO 2164Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1rxs h PRO 2164Cb 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 30.94 1rxs h PRO 2164CO 0.00 0.56 0.00 0.78 -0.23 0.00 0.00 178.00 179.11 1rxs h GLY 2165N 0.88 0.00 -2.22 1.56 0.00 -1.86 -0.04 103.07 101.38 1rxs h GLY 2165Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 1rxs h GLY 2165CO -0.06 0.00 0.05 -1.06 0.00 0.00 0.00 176.54 175.47 1rxs n GLN 2166N -2.68 2.93 -4.17 4.80 6.02 -0.79 -4.93 117.38 118.56 1rxs n GLN 2166Ca 0.01 -2.99 -0.31 0.00 -0.01 0.00 0.00 57.00 53.70 1rxs n GLN 2166Cb 0.27 -1.94 -0.05 0.00 1.02 0.00 0.00 30.24 29.54 1rxs n GLN 2166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1rxs n GLU 2167N -0.53 -2.47 -3.02 -1.09 2.13 -0.03 -4.94 120.64 110.68 1rxs n GLU 2167Ca 0.29 0.30 -0.40 0.00 0.66 0.00 0.00 57.16 58.01 1rxs n GLU 2167Cb 1.05 -4.47 -0.05 0.00 0.27 0.00 0.00 31.44 28.23 1rxs n GLU 2167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1rxs s ARG 2168N -6.92 4.48 -0.04 5.31 0.52 -0.71 -4.98 118.95 116.60 1rxs s ARG 2168Ca 0.28 1.03 0.16 0.00 -0.52 0.00 0.00 55.73 56.68 1rxs s ARG 2168Cb -0.15 -3.33 -0.24 0.00 0.52 0.00 0.00 34.95 31.75 1rxs s ARG 2168CO 0.94 0.39 0.31 0.66 0.02 0.00 0.00 175.30 177.61 1rxs n TYR 2169N 2.43 0.00 -1.68 -0.53 4.01 -1.26 -4.44 117.16 115.68 1rxs n TYR 2169Ca -0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 1rxs n TYR 2169Cb 0.50 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 1rxs n TYR 2169CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1rxs n ASP 2170N -2.15 3.48 -4.11 7.72 10.43 -1.26 -4.01 116.55 126.66 1rxs n ASP 2170Ca -0.06 -2.78 -0.21 0.00 2.57 0.00 0.00 54.79 54.30 1rxs n ASP 2170Cb 0.52 -1.49 -0.09 0.00 1.84 0.00 0.00 41.12 41.89 1rxs n ASP 2170CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1rxs s THR 2171N 4.72 0.54 0.25 -3.53 -4.23 -1.26 -5.00 115.64 107.14 1rxs s THR 2171Ca 0.54 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1rxs s THR 2171Cb 0.11 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.66 1rxs s THR 2171CO 0.03 0.00 1.80 0.22 -0.54 0.00 0.00 174.62 176.13 1rxs h TYR 2172N 2.09 0.86 0.00 3.99 3.20 -1.99 -3.06 116.97 122.07 1rxs h TYR 2172Ca -0.35 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.38 1rxs h TYR 2172Cb 1.25 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 1rxs h TYR 2172CO 1.07 0.33 -1.85 -1.13 -1.64 0.00 0.00 178.16 174.93 1rxs n SER 2173N -4.76 0.35 -0.07 -2.11 3.41 -1.26 -4.98 113.62 104.20 1rxs n SER 2173Ca 0.15 0.15 -0.01 0.00 -0.26 0.00 0.00 58.87 58.90 1rxs n SER 2173Cb 0.31 0.99 -0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1rxs n SER 2173CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rxs n GLY 2174N 1.44 0.23 3.65 5.00 0.00 -1.16 -5.00 105.19 109.36 1rxs n GLY 2174Ca -0.14 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1rxs n GLY 2174CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rxs s ARG 2175N -1.55 2.33 -0.05 1.61 1.70 -1.26 -4.93 118.95 116.79 1rxs s ARG 2175Ca 0.00 -1.39 0.02 0.00 -0.47 0.00 0.00 55.73 53.89 1rxs s ARG 2175Cb 0.00 -2.18 0.01 0.00 -0.57 0.00 0.00 34.95 32.21 1rxs s ARG 2175CO 0.00 0.37 -0.10 0.08 -1.08 0.00 0.00 175.30 174.56 1rxs s VAL 2176N -2.30 0.97 0.36 4.99 1.01 -1.26 -4.91 120.40 119.25 1rxs s VAL 2176Ca 0.31 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1rxs s VAL 2176Cb -0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 36.38 35.31 1rxs s VAL 2176CO 0.20 0.31 1.11 0.55 0.00 0.00 0.00 175.10 177.27 1rxs n VAL 2177N 3.69 2.18 -0.30 2.92 3.14 -1.26 -4.58 118.33 124.11 1rxs n VAL 2177Ca -0.22 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.63 1rxs n VAL 2177Cb 0.52 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.05 1rxs n VAL 2177CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1rxs n ARG 2178N 0.44 -0.22 -0.33 1.45 0.63 -1.26 -0.88 116.66 116.48 1rxs n ARG 2178Ca 0.08 1.18 0.23 0.00 -0.92 0.00 0.00 57.85 58.42 1rxs n ARG 2178Cb 0.36 -1.75 0.51 0.00 0.45 0.00 0.00 32.46 32.03 1rxs n ARG 2178CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1rxs h HIS 2179N 0.00 0.66 -0.02 -0.14 2.76 -2.03 -1.68 115.15 114.70 1rxs h HIS 2179Ca 0.23 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1rxs h HIS 2179Cb 0.42 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1rxs h HIS 2179CO -0.71 0.04 -0.32 1.19 -1.30 0.00 0.00 177.93 176.84 1rxs n PHE 2180N -4.64 0.00 -1.72 5.26 3.01 -0.06 -4.79 117.46 114.52 1rxs n PHE 2180Ca 0.26 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.30 1rxs n PHE 2180Cb 0.90 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.34 1rxs n PHE 2180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1rxs s LYS 2181N -2.18 4.15 0.00 -1.08 1.02 -0.64 -1.31 119.74 119.70 1rxs s LYS 2181Ca 0.19 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.73 1rxs s LYS 2181Cb 0.17 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1rxs s LYS 2181CO 0.46 -0.94 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1rxs n GLY 2182N 4.48 0.76 0.25 -3.33 0.00 -1.26 -4.93 105.19 101.16 1rxs n GLY 2182Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1rxs n GLY 2182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rxs h SER 2183N 0.00 0.96 -0.94 1.61 4.64 -1.50 -3.04 113.55 115.28 1rxs h SER 2183Ca 0.00 -0.48 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1rxs h SER 2183Cb 0.00 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 61.76 1rxs h SER 2183CO 0.00 1.28 0.61 -0.03 -0.87 0.00 0.00 176.83 177.81 1rxs h MET 2184N 0.69 1.14 -0.28 4.77 -1.53 -1.92 -1.29 114.93 116.51 1rxs h MET 2184Ca 0.03 -0.07 -0.08 0.00 -3.44 0.00 0.00 59.70 56.15 1rxs h MET 2184Cb 1.08 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 31.85 1rxs h MET 2184CO 0.11 0.75 -0.17 1.49 0.14 0.00 0.00 176.91 179.24 1rxs h GLU 2185N 1.17 0.50 -0.12 0.39 4.81 -1.96 -0.84 114.58 118.53 1rxs h GLU 2185Ca 0.37 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1rxs h GLU 2185Cb 0.01 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1rxs h GLU 2185CO -0.12 0.65 0.02 0.93 -0.73 0.00 0.00 179.01 179.76 1rxs h GLU 2186N 0.45 0.20 -0.91 1.92 4.39 -1.16 -2.03 114.58 117.45 1rxs h GLU 2186Ca 0.08 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1rxs h GLU 2186Cb 0.55 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1rxs h GLU 2186CO 0.04 0.39 0.60 -1.49 -1.16 0.00 0.00 179.01 177.39 1rxs h TRP 2187N -0.02 1.14 -0.50 4.33 -0.00 -1.04 -1.46 115.95 118.41 1rxs h TRP 2187Ca 0.04 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.92 1rxs h TRP 2187Cb 0.28 -0.39 -0.02 0.00 -0.00 0.00 0.00 29.16 29.03 1rxs h TRP 2187CO 0.01 0.72 0.19 1.96 -0.00 0.00 0.00 178.44 181.32 1rxs h GLN 2188N 1.23 0.75 -0.69 0.49 4.20 -1.07 -1.85 115.11 118.18 1rxs h GLN 2188Ca 0.33 -0.14 0.10 0.00 0.06 0.00 0.00 58.65 59.00 1rxs h GLN 2188Cb -0.14 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.48 1rxs h GLN 2188CO -0.07 0.68 0.46 0.00 -0.67 0.00 0.00 178.83 179.22 1rxs h ALA 2189N 1.04 1.92 -0.02 3.87 0.00 -0.78 -0.79 119.26 124.49 1rxs h ALA 2189Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rxs h ALA 2189Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rxs h ALA 2189CO -0.01 -0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 1rxs n MET 2190N -4.49 1.24 -0.56 0.00 2.81 -0.60 -4.90 117.12 110.63 1rxs n MET 2190Ca 0.12 -0.35 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 1rxs n MET 2190Cb 0.36 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1rxs n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxs n GLY 2191N 1.00 0.76 3.74 3.03 0.00 -0.30 -5.02 105.19 108.40 1rxs n GLY 2191Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1rxs n GLY 2191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxs s VAL 2192N -2.71 2.17 0.01 1.61 1.01 -0.83 -4.65 120.40 117.01 1rxs s VAL 2192Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1rxs s VAL 2192Cb 0.00 -3.09 -0.28 0.00 0.00 0.00 0.00 36.38 33.01 1rxs s VAL 2192CO 0.00 0.02 0.88 0.24 0.00 0.00 0.00 175.10 176.24 1rxs h MET 2193N 5.42 0.27 -2.60 2.72 0.00 -1.36 -3.42 114.93 115.98 1rxs h MET 2193Ca -0.46 -0.47 0.14 0.00 0.00 0.00 0.00 59.70 58.91 1rxs h MET 2193Cb 1.21 0.17 -0.07 0.00 0.00 0.00 0.00 31.60 32.92 1rxs h MET 2193CO 0.83 1.15 0.39 0.54 0.00 0.00 0.00 176.91 179.82 1rxs s ASN 2194N -7.04 -0.20 -0.05 1.22 4.22 -1.26 -0.27 114.94 111.55 1rxs s ASN 2194Ca -0.09 -0.49 0.03 0.00 -2.14 0.00 0.00 52.86 50.18 1rxs s ASN 2194Cb 0.07 0.58 -0.03 0.00 1.28 0.00 0.00 41.25 43.15 1rxs s ASN 2194CO 0.86 -1.08 -0.14 -0.31 -2.04 0.00 0.00 177.10 174.39 1rxs s TYR 2195N -3.52 2.71 0.00 1.54 2.02 -0.08 -0.19 117.35 119.83 1rxs s TYR 2195Ca 0.12 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 1rxs s TYR 2195Cb -0.03 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1rxs s TYR 2195CO 0.04 0.20 0.00 -0.85 -1.57 0.00 0.00 175.55 173.37 1rxs n GLU 2196N 2.30 0.00 0.00 -0.62 -0.00 -0.60 -2.60 120.64 119.11 1rxs n GLU 2196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 1rxs n GLU 2196Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 1rxs n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1rxs n MET 2197N 0.00 -0.53 0.00 3.44 2.81 -1.26 -0.41 117.12 121.17 1rxs n MET 2197Ca 0.00 -0.45 0.00 0.00 -1.81 0.00 0.00 57.70 55.44 1rxs n MET 2197Cb 0.00 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1rxs n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1rxs n GLU 2198N -0.03 2.20 -0.06 0.03 4.71 -1.26 -3.42 120.64 122.81 1rxs n GLU 2198Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1rxs n GLU 2198Cb 0.08 -0.84 0.32 0.00 -1.01 0.00 0.00 31.44 29.99 1rxs n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1rxs h SER 2199N 0.00 0.59 -0.40 1.62 4.64 -1.94 -1.07 113.55 116.99 1rxs h SER 2199Ca 0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1rxs h SER 2199Cb 0.21 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1rxs h SER 2199CO 0.00 0.52 0.23 0.00 -0.87 0.00 0.00 176.83 176.71 1rxs h ALA 2200N 1.57 0.51 -0.04 5.18 0.00 -1.88 0.22 119.26 124.83 1rxs h ALA 2200Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rxs h ALA 2200Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1rxs h ALA 2200CO -0.02 0.02 -0.00 1.15 0.00 0.00 0.00 179.25 180.40 1rxs h THR 2201N 0.52 1.27 -0.24 0.00 2.02 -1.76 -1.93 112.91 112.79 1rxs h THR 2201Ca 0.14 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1rxs h THR 2201Cb 0.03 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1rxs h THR 2201CO -0.02 0.22 0.15 0.25 0.37 0.00 0.00 175.52 176.49 1rxs h LEU 2202N -0.26 0.28 -0.29 2.58 5.85 -0.84 -0.30 115.31 122.33 1rxs h LEU 2202Ca 0.01 -0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 1rxs h LEU 2202Cb 0.36 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1rxs h LEU 2202CO 0.00 0.24 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.53 1rxs h LEU 2203N 0.31 0.73 -0.07 2.25 3.38 -0.59 -1.51 115.31 119.80 1rxs h LEU 2203Ca 0.09 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1rxs h LEU 2203Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1rxs h LEU 2203CO -0.02 1.24 -0.02 0.74 0.09 0.00 0.00 178.44 180.47 1rxs h THR 2204N 0.42 1.30 -0.29 0.22 2.02 -1.16 0.13 112.91 115.55 1rxs h THR 2204Ca -0.04 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 1rxs h THR 2204Cb 1.34 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1rxs h THR 2204CO 0.14 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.32 1rxs h MET 2205N -0.20 0.43 0.01 6.66 -0.00 -1.00 -1.89 114.93 118.93 1rxs h MET 2205Ca 0.02 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1rxs h MET 2205Cb 0.43 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 1rxs h MET 2205CO 0.01 0.44 -0.00 0.00 -0.00 0.00 0.00 176.91 177.35 1rxs h ALA 2207N 0.12 2.35 -0.40 0.00 0.00 -0.64 -1.36 119.26 119.33 1rxs h ALA 2207Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 2207Cb 0.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1rxs h ALA 2207CO 0.00 -0.48 0.00 -1.13 0.00 0.00 0.00 179.25 177.64 1rxs n SER 2208N -4.42 2.79 -0.13 0.00 3.41 -0.72 -4.04 113.62 110.51 1rxs n SER 2208Ca 0.08 -1.92 0.01 0.00 -0.26 0.00 0.00 58.87 56.78 1rxs n SER 2208Cb 0.50 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1rxs n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rxs n GLN 2209N 1.04 0.75 -1.62 4.33 6.02 -0.58 -5.00 117.38 122.32 1rxs n GLN 2209Ca 0.18 -1.06 -0.12 0.00 -0.01 0.00 0.00 57.00 55.99 1rxs n GLN 2209Cb 0.48 -0.71 -0.04 0.00 1.02 0.00 0.00 30.24 30.99 1rxs n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rxs n GLY 2210N -0.26 0.89 3.89 1.08 0.00 -1.04 -5.01 105.19 104.73 1rxs n GLY 2210Ca 0.02 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1rxs n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rxs s LEU 2211N -3.03 4.38 -0.05 0.99 1.43 -0.82 -5.05 118.68 116.52 1rxs s LEU 2211Ca 0.00 0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 53.31 1rxs s LEU 2211Cb 0.00 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1rxs s LEU 2211CO 0.00 0.34 0.71 -0.13 0.23 0.00 0.00 176.35 177.50 1rxs s ARG 2212N -1.41 4.44 0.01 1.70 0.52 -0.48 -3.97 118.95 119.75 1rxs s ARG 2212Ca 0.21 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.34 1rxs s ARG 2212Cb -0.12 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 1rxs s ARG 2212CO 0.10 0.09 -0.08 0.00 0.02 0.00 0.00 175.30 175.43 1rxs s ALA 2213N 0.69 0.68 0.18 2.13 0.00 -1.26 -0.05 121.76 124.14 1rxs s ALA 2213Ca 0.38 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1rxs s ALA 2213Cb -0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1rxs s ALA 2213CO 0.19 0.12 -0.04 0.20 0.00 0.00 0.00 175.76 176.23 1rxs s GLY 2214N -0.66 1.27 -0.08 0.00 0.00 -0.25 -0.58 107.32 107.03 1rxs s GLY 2214Ca -0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.07 1rxs s GLY 2214CO 0.00 -1.60 0.16 -0.29 0.00 0.00 0.00 173.10 171.37 1rxs s MET 2215N -3.84 0.08 0.01 2.90 0.00 -1.26 -1.46 119.30 115.73 1rxs s MET 2215Ca 0.23 0.45 0.00 0.00 0.00 0.00 0.00 55.69 56.37 1rxs s MET 2215Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 34.83 34.66 1rxs s MET 2215CO 0.04 -0.22 -0.03 0.54 0.00 0.00 0.00 175.02 175.36 1rxs s VAL 2216N 1.60 0.12 -0.06 10.11 0.11 -0.57 -1.75 120.40 129.96 1rxs s VAL 2216Ca -0.05 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.25 1rxs s VAL 2216Cb -0.12 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1rxs s VAL 2216CO -0.06 -0.31 0.35 0.00 -3.33 0.00 0.00 175.10 171.75 1rxs s ALA 2217N -0.94 -0.87 -0.06 1.54 0.00 -0.41 -1.15 121.76 119.87 1rxs s ALA 2217Ca -0.10 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.30 1rxs s ALA 2217Cb -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1rxs s ALA 2217CO -0.01 -0.23 0.49 0.20 0.00 0.00 0.00 175.76 176.21 1rxs s GLY 2218N -0.78 2.47 -0.23 0.00 0.00 -0.52 -0.42 107.32 107.82 1rxs s GLY 2218Ca -0.09 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 1rxs s GLY 2218CO 0.03 0.62 1.19 0.14 0.00 0.00 0.00 173.10 175.09 1rxs s VAL 2219N 0.04 4.38 -1.08 1.40 1.01 -0.41 -1.73 120.40 124.00 1rxs s VAL 2219Ca 0.27 1.64 0.14 0.00 0.00 0.00 0.00 61.98 64.02 1rxs s VAL 2219Cb -0.16 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1rxs s VAL 2219CO 0.13 -0.27 0.72 2.30 0.00 0.00 0.00 175.10 177.97 1rxs n ILE 2220N 5.62 0.00 -3.61 2.22 -5.35 0.21 -0.62 119.36 117.82 1rxs n ILE 2220Ca 0.13 -0.29 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 1rxs n ILE 2220Cb 0.46 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 1rxs n ILE 2220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1rxs s VAL 2221N -1.93 0.00 -0.26 7.28 0.11 -1.23 -4.45 120.40 119.93 1rxs s VAL 2221Ca 0.10 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1rxs s VAL 2221Cb 0.11 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1rxs s VAL 2221CO 0.43 -0.01 0.10 0.21 -3.33 0.00 0.00 175.10 172.50 1rxs s ASN 2222N -0.26 5.33 0.00 3.54 3.84 -1.26 -0.64 114.94 125.49 1rxs s ASN 2222Ca -0.04 -0.24 0.22 0.00 0.21 0.00 0.00 52.86 53.01 1rxs s ASN 2222Cb -0.03 -1.96 0.96 0.00 -0.55 0.00 0.00 41.25 39.66 1rxs s ASN 2222CO 0.04 -0.07 1.72 0.54 -2.79 0.00 0.00 177.10 176.55 1rxs n ARG 2223N 4.95 0.00 0.00 0.43 5.12 0.25 -1.13 116.66 126.29 1rxs n ARG 2223Ca -0.15 0.11 0.13 0.00 -1.93 0.00 0.00 57.85 56.01 1rxs n ARG 2223Cb 0.51 -1.50 0.76 0.00 -1.16 0.00 0.00 32.46 31.07 1rxs n ARG 2223CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rxs n THR 2224N -1.50 0.03 0.00 0.55 -2.24 -1.26 -3.93 114.28 105.93 1rxs n THR 2224Ca 0.05 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1rxs n THR 2224Cb 0.26 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1rxs n THR 2224CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rxs n GLN 2225N -1.05 3.55 -3.55 -0.78 6.02 -0.28 -5.10 117.38 116.19 1rxs n GLN 2225Ca 0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1rxs n GLN 2225Cb 0.11 -0.99 -0.04 0.00 1.02 0.00 0.00 30.24 30.34 1rxs n GLN 2225CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1rxs s GLN 2226N -1.99 0.71 -0.19 -1.09 -0.21 -1.07 -5.07 119.66 110.76 1rxs s GLN 2226Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 55.36 55.37 1rxs s GLN 2226Cb 0.00 0.33 -0.22 0.00 1.00 0.00 0.00 33.01 34.13 1rxs s GLN 2226CO 0.00 -0.26 0.08 0.39 -2.12 0.00 0.00 175.29 173.38 1rxs n GLU 2227N 0.40 0.70 -4.34 2.91 1.02 -1.26 -4.03 120.64 116.04 1rxs n GLU 2227Ca -0.10 0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 56.90 1rxs n GLU 2227Cb 0.59 -1.62 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 1rxs n GLU 2227CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rxs s ILE 2228N -2.54 3.87 0.70 -3.67 -1.09 -1.26 -5.02 121.20 112.18 1rxs s ILE 2228Ca -0.27 -0.36 -0.16 0.00 -2.23 0.00 0.00 60.65 57.62 1rxs s ILE 2228Cb 0.08 -2.70 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1rxs s ILE 2228CO 0.69 0.48 1.11 -2.65 -1.23 0.00 0.00 174.94 173.35 1rxs n PRO 2229N 3.70 0.71 -0.03 2.79 -0.02 -1.26 -5.05 135.00 135.84 1rxs n PRO 2229Ca -0.17 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 1rxs n PRO 2229Cb 0.52 -2.35 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 1rxs n PRO 2229CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1rxs h ASN 2230N 0.00 0.04 0.00 2.55 2.35 -1.99 -3.51 115.58 115.02 1rxs h ASN 2230Ca -0.49 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 54.64 1rxs h ASN 2230Cb 1.34 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1rxs h ASN 2230CO 0.49 0.66 0.00 -0.24 -1.65 0.00 0.00 177.43 176.69 1rxs n SER 2239N -4.76 0.00 -0.20 5.81 2.88 -1.26 -5.17 113.62 110.92 1rxs n SER 2239Ca -0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.36 1rxs n SER 2239Cb 0.33 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.81 1rxs n SER 2239CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1rxs h HIS 2240N 0.00 1.07 -0.54 0.66 -0.00 -1.99 -3.00 115.15 111.34 1rxs h HIS 2240Ca 0.00 -0.17 -0.10 0.00 -0.00 0.00 0.00 60.37 60.10 1rxs h HIS 2240Cb 0.00 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1rxs h HIS 2240CO 0.00 0.95 -0.05 0.00 -0.00 0.00 0.00 177.93 178.83 1rxs h ALA 2241N 0.98 0.88 -0.16 2.45 0.00 -1.93 -2.14 119.26 119.34 1rxs h ALA 2241Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1rxs h ALA 2241Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rxs h ALA 2241CO 0.02 0.65 0.07 0.28 0.00 0.00 0.00 179.25 180.27 1rxs h VAL 2242N 0.88 1.15 -1.00 0.00 2.07 -1.97 0.15 116.25 117.53 1rxs h VAL 2242Ca 0.15 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.35 1rxs h VAL 2242Cb 0.59 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.42 1rxs h VAL 2242CO 0.04 0.14 0.63 0.11 0.02 0.00 0.00 177.57 178.51 1rxs h LYS 2243N 0.11 0.97 -0.12 1.57 1.57 -1.41 -2.06 116.57 117.19 1rxs h LYS 2243Ca 0.05 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1rxs h LYS 2243Cb 0.16 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1rxs h LYS 2243CO -0.00 0.64 -0.18 0.82 -0.57 0.00 0.00 179.45 180.15 1rxs h ILE 2244N 1.00 1.37 -0.99 1.86 2.04 -0.75 -1.91 117.51 120.13 1rxs h ILE 2244Ca 0.50 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1rxs h ILE 2244Cb 0.49 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1rxs h ILE 2244CO -0.27 0.41 0.65 1.62 0.00 0.00 0.00 178.15 180.57 1rxs h VAL 2245N -0.08 1.21 -0.28 1.67 3.04 -0.40 0.75 116.25 122.16 1rxs h VAL 2245Ca 0.01 -0.45 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 1rxs h VAL 2245Cb 0.75 -0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.81 1rxs h VAL 2245CO 0.04 0.24 0.07 0.58 -1.01 0.00 0.00 177.57 177.49 1rxs h VAL 2246N 1.30 1.21 -0.39 1.51 2.07 -1.34 -0.67 116.25 119.94 1rxs h VAL 2246Ca 0.38 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1rxs h VAL 2246Cb -0.08 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1rxs h VAL 2246CO -0.10 0.23 0.08 -0.08 0.02 0.00 0.00 177.57 177.72 1rxs h GLU 2247N 0.29 0.58 -0.37 1.57 4.57 -0.95 -2.01 114.58 118.26 1rxs h GLU 2247Ca 0.09 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1rxs h GLU 2247Cb 0.28 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1rxs h GLU 2247CO 0.00 0.54 -0.15 0.00 -1.18 0.00 0.00 179.01 178.22 1rxs h ALA 2248N 1.53 0.52 -0.57 2.92 0.00 -0.61 -2.94 119.26 120.11 1rxs h ALA 2248Ca 0.13 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1rxs h ALA 2248Cb 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1rxs h ALA 2248CO -0.00 0.43 0.22 0.00 0.00 0.00 0.00 179.25 179.90 1rxs h ALA 2249N 0.80 0.73 -0.70 0.00 0.00 -0.69 -1.60 119.26 117.80 1rxs h ALA 2249Ca 0.09 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1rxs h ALA 2249Cb 0.69 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1rxs h ALA 2249CO 0.05 -0.18 0.15 -0.09 0.00 0.00 0.00 179.25 179.18 1rxs h ARG 2250N 0.41 0.25 0.00 0.00 2.43 -1.28 -0.80 114.38 115.39 1rxs h ARG 2250Ca 0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1rxs h ARG 2250Cb 0.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1rxs h ARG 2250CO -0.27 0.16 0.00 0.00 -1.51 0.00 0.00 179.97 178.35 1rxs h ARG 2251N 0.25 0.00 -0.27 0.20 3.08 -1.14 -3.14 114.38 113.37 1rxs h ARG 2251Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1rxs h ARG 2251Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1rxs h ARG 2251CO -0.49 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.69 1rxs n LEU 2252N -2.61 3.30 0.00 3.04 4.77 -0.34 -5.06 117.00 120.08 1rxs n LEU 2252Ca 0.02 -1.34 0.13 0.00 -0.03 0.00 0.00 56.01 54.79 1rxs n LEU 2252Cb 0.33 -0.17 0.74 0.00 -2.33 0.00 0.00 43.42 41.99 1rxs n LEU 2252CO 0.26 0.66 0.92 0.18 -1.33 0.00 0.00 177.39 178.08