#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxs n ASP 2005N 0.00 0.68 -4.33 -3.46 8.00 -0.23 -4.93 116.55 112.28 1rxs n ASP 2005Ca 0.00 0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 1rxs n ASP 2005Cb 0.00 0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 41.60 1rxs n ASP 2005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1rxs s VAL 2006N -3.30 1.87 0.22 2.53 -7.23 -1.22 -5.05 120.40 108.22 1rxs s VAL 2006Ca 0.01 -1.82 0.15 0.00 -1.81 0.00 0.00 61.98 58.51 1rxs s VAL 2006Cb 0.12 -1.80 0.06 0.00 0.56 0.00 0.00 36.38 35.32 1rxs s VAL 2006CO 0.79 -0.20 1.68 0.15 -0.31 0.00 0.00 175.10 177.21 1rxs h PHE 2007N 3.51 0.00 0.00 2.82 3.04 -1.95 -3.36 116.94 121.00 1rxs h PHE 2007Ca -0.44 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.36 1rxs h PHE 2007Cb 1.20 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.68 1rxs h PHE 2007CO 0.66 0.49 -1.53 0.72 -2.02 0.00 0.00 178.31 176.62 1rxs n HIS 2008N -3.67 0.00 0.35 0.41 8.25 -1.26 -4.77 115.22 114.53 1rxs n HIS 2008Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.59 1rxs n HIS 2008Cb 0.55 -0.35 0.43 0.00 1.12 0.00 0.00 29.99 31.74 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 -0.07 0.00 -1.32 2.41 3.38 -1.93 -3.45 115.31 114.33 1rxs h LEU 2009Ca -0.21 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.37 1rxs h LEU 2009Cb 1.30 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.16 1rxs h LEU 2009CO -0.06 0.00 -0.75 0.61 0.09 0.00 0.00 178.44 178.34 1rxs n GLY 2010N 0.64 -0.43 3.34 0.83 0.00 -1.26 -4.69 105.19 103.63 1rxs n GLY 2010Ca 0.03 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.86 2.49 0.21 0.99 1.43 -1.26 -4.80 118.68 110.87 1rxs s LEU 2011Ca 0.29 -0.93 0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1rxs s LEU 2011Cb -0.13 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.26 1rxs s LEU 2011CO 0.76 -0.08 -0.19 0.42 0.23 0.00 0.00 176.35 177.49 1rxs s THR 2012N -2.40 2.63 0.33 5.49 -4.23 -1.26 -1.07 115.64 115.13 1rxs s THR 2012Ca 0.19 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.82 1rxs s THR 2012Cb -0.04 -2.30 0.33 0.00 1.34 0.00 0.00 72.50 71.83 1rxs s THR 2012CO 0.07 -0.17 1.65 0.50 -0.54 0.00 0.00 174.62 176.14 1rxs h LYS 2013N 2.94 0.26 -0.42 3.99 3.11 -1.95 0.13 116.57 124.63 1rxs h LYS 2013Ca -0.45 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.32 1rxs h LYS 2013Cb 1.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.37 1rxs h LYS 2013CO 0.52 0.17 0.04 -0.97 -2.81 0.00 0.00 179.45 176.40 1rxs h ASN 2014N 0.27 0.62 -0.38 4.20 -0.73 -1.95 -2.65 115.58 114.96 1rxs h ASN 2014Ca 0.69 -0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.77 1rxs h ASN 2014Cb 1.54 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.95 1rxs h ASN 2014CO -0.64 0.66 0.25 0.44 -0.37 0.00 0.00 177.43 177.77 1rxs h ASP 2015N 0.63 0.34 1.18 1.15 3.32 -1.13 -2.36 116.42 119.55 1rxs h ASP 2015Ca 0.13 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1rxs h ASP 2015Cb 0.34 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1rxs h ASP 2015CO 0.01 0.23 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.29 1rxs h LEU 2016N 0.39 0.00 -1.13 1.55 4.07 -1.47 -3.48 115.31 115.25 1rxs h LEU 2016Ca 0.15 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.66 1rxs h LEU 2016Cb 0.12 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1rxs h LEU 2016CO -0.04 0.40 -0.76 0.00 -1.08 0.00 0.00 178.44 176.96 1rxs n GLN 2017N -3.35 -5.82 -0.74 1.13 6.02 -0.89 -1.79 117.38 111.95 1rxs n GLN 2017Ca 0.01 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1rxs n GLN 2017Cb 0.60 -5.50 0.00 0.00 1.02 0.00 0.00 30.24 26.36 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 -1.71 0.84 3.68 1.08 0.00 -1.26 -4.79 105.19 103.03 1rxs n GLY 2018Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 0.22 1.14 -0.41 4.61 0.00 -0.74 -4.91 120.51 120.42 1rxs n ALA 2019Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1rxs n ALA 2019Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 0.73 0.12 -5.03 0.00 -2.24 -1.26 -4.32 114.28 102.28 1rxs n THR 2020Ca 0.07 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 1rxs n THR 2020Cb 0.35 1.26 -0.16 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.12 2.00 -0.07 3.22 0.20 -1.26 -0.41 118.68 122.24 1rxs s LEU 2021Ca 0.00 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.44 1rxs s LEU 2021Cb 0.00 -1.13 0.01 0.00 -0.43 0.00 0.00 46.19 44.64 1rxs s LEU 2021CO 0.00 0.22 -0.14 0.00 -0.29 0.00 0.00 176.35 176.14 1rxs s ALA 2022N -0.21 1.40 -0.16 5.97 0.00 0.25 -1.56 121.76 127.45 1rxs s ALA 2022Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 1rxs s ALA 2022Cb -0.11 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1rxs s ALA 2022CO 0.01 0.13 0.77 0.42 0.00 0.00 0.00 175.76 177.10 1rxs s ILE 2023N 0.63 4.93 -0.53 0.00 1.01 -0.01 -0.88 121.20 126.36 1rxs s ILE 2023Ca -0.15 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.05 1rxs s ILE 2023Cb -0.16 -4.08 0.13 0.00 0.01 0.00 0.00 42.46 38.36 1rxs s ILE 2023CO 0.04 0.07 0.27 0.68 0.00 0.00 0.00 174.94 176.00 1rxs s VAL 2024N 1.92 2.60 0.85 2.92 -7.23 0.60 -1.48 120.40 120.59 1rxs s VAL 2024Ca 0.36 -3.36 -0.12 0.00 -1.81 0.00 0.00 61.98 57.05 1rxs s VAL 2024Cb -0.17 -2.80 0.10 0.00 0.56 0.00 0.00 36.38 34.07 1rxs s VAL 2024CO 0.13 -0.81 1.13 -2.16 -0.31 0.00 0.00 175.10 173.09 1rxs s PRO 2025N -0.33 1.64 -0.07 4.82 0.04 -1.24 -3.23 135.00 136.63 1rxs s PRO 2025Ca 0.17 0.34 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 1rxs s PRO 2025Cb -0.25 -1.89 -0.27 0.00 0.04 0.00 0.00 34.50 32.12 1rxs s PRO 2025CO -0.00 -1.86 0.59 0.78 0.04 0.00 0.00 177.00 176.54 1rxs h GLY 2026N -1.26 0.29 -6.78 0.56 0.00 -1.83 -0.85 103.07 93.19 1rxs h GLY 2026Ca -0.48 -0.74 -0.62 0.00 0.00 0.00 0.00 47.33 45.50 1rxs h GLY 2026CO 0.62 0.64 -0.06 -0.35 0.00 0.00 0.00 176.54 177.40 1rxs s ASP 2027N -6.94 6.43 0.35 0.19 3.68 -1.26 -0.60 116.67 118.52 1rxs s ASP 2027Ca -0.15 0.51 0.12 0.00 2.13 0.00 0.00 52.55 55.16 1rxs s ASP 2027Cb 0.07 -2.27 0.92 0.00 -1.45 0.00 0.00 42.92 40.19 1rxs s ASP 2027CO 0.82 -0.25 1.79 -0.65 0.13 0.00 0.00 175.17 177.00 1rxs h PRO 2028N 7.93 0.56 0.00 4.34 0.11 -1.90 -1.29 132.00 141.75 1rxs h PRO 2028Ca -0.30 -0.03 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 32.13 1rxs h PRO 2028CO 0.71 0.37 0.00 -0.25 -0.21 0.00 0.00 178.00 178.62 1rxs n ASP 2029N -4.69 0.69 -0.52 -2.05 8.00 -1.26 -2.19 116.55 114.52 1rxs n ASP 2029Ca 0.23 0.65 0.12 0.00 0.71 0.00 0.00 54.79 56.50 1rxs n ASP 2029Cb 0.70 -0.80 0.23 0.00 -0.02 0.00 0.00 41.12 41.23 1rxs n ASP 2029CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1rxs n ARG 2030N -2.23 1.44 0.20 -1.24 1.85 -0.49 -4.45 116.66 111.74 1rxs n ARG 2030Ca 0.03 -1.05 -0.15 0.00 -1.00 0.00 0.00 57.85 55.68 1rxs n ARG 2030Cb 0.27 -1.48 -0.08 0.00 -1.05 0.00 0.00 32.46 30.12 1rxs n ARG 2030CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1rxs h VAL 2031N 2.56 0.66 -0.80 8.89 2.07 -1.48 -2.42 116.25 125.74 1rxs h VAL 2031Ca 0.00 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1rxs h VAL 2031Cb 0.69 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1rxs h VAL 2031CO 0.00 0.06 0.46 -0.08 0.02 0.00 0.00 177.57 178.02 1rxs h GLU 2032N -0.64 0.77 -0.62 1.57 4.81 -1.78 -0.90 114.58 117.79 1rxs h GLU 2032Ca -0.05 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1rxs h GLU 2032Cb 0.46 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1rxs h GLU 2032CO 0.08 0.51 0.37 0.87 -0.73 0.00 0.00 179.01 180.10 1rxs h LYS 2033N 0.79 0.69 0.02 1.92 6.56 -1.75 0.18 116.57 124.97 1rxs h LYS 2033Ca 0.38 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1rxs h LYS 2033Cb 0.31 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1rxs h LYS 2033CO -0.23 0.45 -0.01 0.82 -2.06 0.00 0.00 179.45 178.43 1rxs h ILE 2034N 0.71 1.30 -0.99 1.86 2.04 -0.94 -3.11 117.51 118.36 1rxs h ILE 2034Ca 0.26 -0.96 0.18 0.00 1.00 0.00 0.00 64.86 65.34 1rxs h ILE 2034Cb 0.08 1.94 -0.10 0.00 -0.74 0.00 0.00 36.82 38.00 1rxs h ILE 2034CO -0.13 0.25 0.62 0.00 0.00 0.00 0.00 178.15 178.88 1rxs h ALA 2035N 0.54 1.71 0.00 1.87 0.00 -0.92 -1.00 119.26 121.46 1rxs h ALA 2035Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rxs h ALA 2035Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rxs h ALA 2035CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1rxs h ALA 2036N 1.62 1.00 -0.00 0.00 0.00 -0.89 -0.78 119.26 120.22 1rxs h ALA 2036Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1rxs h ALA 2036Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rxs h ALA 2036CO -0.34 0.00 -0.05 1.28 0.00 0.00 0.00 179.25 180.14 1rxs n LEU 2037N -2.40 0.13 0.00 0.00 4.77 -0.38 -4.86 117.00 114.26 1rxs n LEU 2037Ca -0.00 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1rxs n LEU 2037Cb 0.12 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1rxs n LEU 2037CO 0.15 0.02 -0.00 0.23 -1.33 0.00 0.00 177.39 176.46 1rxs n MET 2038N -1.27 1.35 -3.54 3.23 2.81 -0.30 -5.13 117.12 114.27 1rxs n MET 2038Ca 0.12 -1.06 -0.31 0.00 -1.81 0.00 0.00 57.70 54.64 1rxs n MET 2038Cb 0.27 0.16 -0.05 0.00 -0.71 0.00 0.00 33.22 32.90 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 -1.94 6.55 -1.38 7.83 -0.00 -0.10 -4.54 116.67 123.08 1rxs s ASP 2039Ca 0.07 0.74 -0.06 0.00 -0.00 0.00 0.00 52.55 53.29 1rxs s ASP 2039Cb -0.01 -2.15 0.00 0.00 -0.00 0.00 0.00 42.92 40.77 1rxs s ASP 2039CO 0.04 -0.02 0.39 0.29 -0.00 0.00 0.00 175.17 175.88 1rxs n LYS 2040N -0.09 -2.14 -1.97 8.23 5.02 -1.26 0.18 118.16 126.13 1rxs n LYS 2040Ca -0.01 0.30 -0.41 0.00 -2.02 0.00 0.00 58.31 56.17 1rxs n LYS 2040Cb 0.52 -4.04 -0.02 0.00 -0.02 0.00 0.00 35.03 31.47 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 -6.77 4.24 -0.08 1.97 0.04 -1.26 -4.48 135.00 128.67 1rxs s PRO 2041Ca 0.12 2.35 -0.03 0.00 0.04 0.00 0.00 61.00 63.48 1rxs s PRO 2041Cb -0.05 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.44 1rxs s PRO 2041CO 0.92 -0.45 0.16 0.08 0.04 0.00 0.00 177.00 177.75 1rxs s VAL 2042N -0.06 -0.14 0.16 -0.36 1.01 0.53 -5.00 120.40 116.54 1rxs s VAL 2042Ca 0.60 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1rxs s VAL 2042Cb -0.43 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 1rxs s VAL 2042CO 0.45 0.10 1.28 -0.75 0.00 0.00 0.00 175.10 176.18 1rxs s LYS 2043N 1.65 4.41 -0.19 2.72 2.20 -1.26 -0.48 119.74 128.78 1rxs s LYS 2043Ca -0.04 1.98 -0.04 0.00 -0.36 0.00 0.00 55.97 57.51 1rxs s LYS 2043Cb -0.12 -3.23 -0.10 0.00 -1.51 0.00 0.00 37.83 32.86 1rxs s LYS 2043CO -0.06 -0.25 -0.21 1.28 -0.36 0.00 0.00 175.35 175.75 1rxs n LEU 2044N 2.99 2.23 -3.51 5.43 4.77 0.85 -4.90 117.00 124.87 1rxs n LEU 2044Ca 0.07 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1rxs n LEU 2044Cb 0.44 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1rxs n LEU 2044CO 0.57 0.62 0.65 0.00 -1.33 0.00 0.00 177.39 177.91 1rxs s ALA 2045N -2.37 -1.81 -0.19 -1.18 0.00 -1.04 -5.01 121.76 110.16 1rxs s ALA 2045Ca -0.27 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 1rxs s ALA 2045Cb 0.09 0.27 0.10 0.00 0.00 0.00 0.00 23.12 23.58 1rxs s ALA 2045CO 0.39 -0.62 0.32 0.45 0.00 0.00 0.00 175.76 176.30 1rxs s SER 2046N -2.23 0.41 -0.07 0.00 0.15 -1.26 -0.77 113.70 109.93 1rxs s SER 2046Ca 0.03 0.40 -0.05 0.00 0.70 0.00 0.00 55.95 57.02 1rxs s SER 2046Cb -0.01 0.88 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 1rxs s SER 2046CO -0.07 -0.27 0.17 -1.00 1.20 0.00 0.00 173.24 173.27 1rxs s HIS 2047N 2.47 -0.20 0.00 3.44 3.76 -0.51 -5.01 115.29 119.25 1rxs s HIS 2047Ca 0.05 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1rxs s HIS 2047Cb -0.14 0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.57 1rxs s HIS 2047CO -0.12 -0.14 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1rxs n ARG 2048N 3.56 0.00 -0.14 1.40 1.74 -1.26 0.38 116.66 122.34 1rxs n ARG 2048Ca -0.19 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.94 1rxs n ARG 2048Cb 0.56 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.12 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 1.63 -3.53 5.56 0.00 -1.26 -4.77 120.64 132.27 1rxs n GLU 2049Ca 0.00 -0.98 -0.41 0.00 0.00 0.00 0.00 57.16 55.76 1rxs n GLU 2049Cb 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 31.44 30.14 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 -1.63 3.37 -0.17 -1.84 0.08 0.16 -3.97 117.98 113.98 1rxs s PHE 2050Ca 0.18 -1.64 -0.03 0.00 0.12 0.00 0.00 56.93 55.56 1rxs s PHE 2050Cb 0.10 -3.35 -0.02 0.00 -0.57 0.00 0.00 43.02 39.17 1rxs s PHE 2050CO 0.12 -0.94 -0.05 0.99 -0.10 0.00 0.00 175.22 175.25 1rxs s THR 2051N 1.43 3.70 -0.14 0.64 2.01 -1.26 -1.42 115.64 120.59 1rxs s THR 2051Ca 0.04 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1rxs s THR 2051Cb -0.26 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1rxs s THR 2051CO 0.01 0.48 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.33 1rxs s THR 2052N 0.63 1.87 0.14 -0.82 2.01 0.05 -1.67 115.64 117.84 1rxs s THR 2052Ca -0.03 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1rxs s THR 2052Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1rxs s THR 2052CO 0.02 0.51 -0.12 0.26 -0.69 0.00 0.00 174.62 174.61 1rxs s TRP 2053N 0.96 2.64 0.01 4.92 0.52 0.58 -0.10 118.94 128.47 1rxs s TRP 2053Ca -0.05 -0.21 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1rxs s TRP 2053Cb -0.15 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1rxs s TRP 2053CO -0.04 0.45 -0.12 0.50 0.02 0.00 0.00 176.95 177.76 1rxs s ARG 2054N -2.45 2.37 0.15 4.98 3.52 0.37 -0.34 118.95 127.55 1rxs s ARG 2054Ca 0.22 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1rxs s ARG 2054Cb -0.10 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 1rxs s ARG 2054CO 0.13 0.58 0.15 0.00 -0.81 0.00 0.00 175.30 175.36 1rxs n ALA 2055N 1.68 0.21 -2.52 6.12 0.00 -0.18 -0.35 120.51 125.48 1rxs n ALA 2055Ca -0.16 -0.84 -0.26 0.00 0.00 0.00 0.00 53.44 52.18 1rxs n ALA 2055Cb 0.52 0.68 -0.16 0.00 0.00 0.00 0.00 19.45 20.50 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 -2.55 1.59 -0.11 0.00 2.12 0.13 -0.35 118.70 119.53 1rxs s GLU 2056Ca 0.17 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 1rxs s GLU 2056Cb 0.01 -1.51 0.04 0.00 0.26 0.00 0.00 34.13 32.93 1rxs s GLU 2056CO 0.12 0.39 0.04 -1.17 -0.54 0.00 0.00 175.26 174.09 1rxs s LEU 2057N -0.38 0.58 -1.56 2.70 2.96 0.93 -0.92 118.68 122.98 1rxs s LEU 2057Ca 0.06 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 1rxs s LEU 2057Cb -0.08 -0.38 0.09 0.00 0.50 0.00 0.00 46.19 46.32 1rxs s LEU 2057CO -0.00 -0.26 0.66 0.47 -1.32 0.00 0.00 176.35 175.90 1rxs n ASP 2058N 5.18 -2.29 0.00 3.68 8.00 -1.26 -1.05 116.55 128.81 1rxs n ASP 2058Ca -0.07 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1rxs n ASP 2058Cb 0.49 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.57 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 -1.68 0.58 3.60 0.44 0.00 -1.26 -5.03 105.19 101.85 1rxs n GLY 2059Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.35 2.95 0.26 1.61 -0.14 -0.22 -5.07 119.74 118.78 1rxs s LYS 2060Ca 0.00 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 1rxs s LYS 2060Cb 0.00 -2.70 -0.10 0.00 -1.68 0.00 0.00 37.83 33.35 1rxs s LYS 2060CO 0.00 0.62 1.33 -1.25 -0.76 0.00 0.00 175.35 175.29 1rxs s PRO 2061N -0.67 4.36 0.01 -1.68 0.04 -1.26 -0.05 135.00 135.75 1rxs s PRO 2061Ca 0.10 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1rxs s PRO 2061Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1rxs s PRO 2061CO 0.02 -0.25 -0.08 0.08 0.04 0.00 0.00 177.00 176.80 1rxs s VAL 2062N -0.37 0.65 -0.10 -0.36 1.01 0.53 -4.39 120.40 117.37 1rxs s VAL 2062Ca 0.54 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1rxs s VAL 2062Cb -0.39 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1rxs s VAL 2062CO 0.44 0.01 0.12 -0.63 0.00 0.00 0.00 175.10 175.03 1rxs s ILE 2063N -0.56 5.25 -0.15 2.22 -1.09 -0.60 -1.01 121.20 125.27 1rxs s ILE 2063Ca -0.00 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1rxs s ILE 2063Cb -0.05 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1rxs s ILE 2063CO 0.00 0.58 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.39 1rxs s VAL 2064N -1.03 2.11 -0.08 2.92 1.01 0.53 -0.83 120.40 125.03 1rxs s VAL 2064Ca 0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1rxs s VAL 2064Cb -0.12 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.45 1rxs s VAL 2064CO 0.05 0.55 0.16 0.00 0.00 0.00 0.00 175.10 175.86 1rxs s SER 2066N 1.88 7.17 0.04 0.00 1.04 -0.67 -3.67 113.70 119.50 1rxs s SER 2066Ca -0.02 1.75 0.22 0.00 0.48 0.00 0.00 55.95 58.39 1rxs s SER 2066Cb -0.12 -2.55 -0.13 0.00 0.10 0.00 0.00 66.02 63.32 1rxs s SER 2066CO -0.06 -0.17 0.82 0.35 0.98 0.00 0.00 173.24 175.17 1rxs n THR 2067N 0.13 0.17 -2.03 2.02 -2.24 -0.32 -4.36 114.28 107.64 1rxs n THR 2067Ca 0.03 -0.36 0.02 0.00 -2.27 0.00 0.00 64.05 61.48 1rxs n THR 2067Cb 0.52 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.31 -2.05 3.69 3.38 0.00 0.24 -3.37 105.19 108.38 1rxs n GLY 2068Ca -0.00 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.69 5.08 0.00 -0.61 1.01 -1.26 -4.67 121.20 120.06 1rxs s ILE 2069Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1rxs s ILE 2069Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1rxs s ILE 2069CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1rxs n GLY 2070N 3.49 2.45 0.21 6.18 0.00 -1.26 -4.62 105.19 111.63 1rxs n GLY 2070Ca -0.03 -1.84 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 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 0.52 0.41 -0.02 0.00 -1.88 -2.03 103.07 100.07 1rxs h GLY 2071Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1rxs h GLY 2071CO 0.00 -0.16 -0.34 -2.55 0.00 0.00 0.00 176.54 173.49 1rxs h PRO 2072N 0.09 -0.55 -0.10 4.80 0.11 -1.94 0.52 132.00 134.93 1rxs h PRO 2072Ca 0.27 0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.30 1rxs h PRO 2072Cb 0.41 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1rxs h PRO 2072CO -0.46 -0.36 -0.47 0.66 -0.21 0.00 0.00 178.00 177.15 1rxs h SER 2073N -0.57 0.26 -0.63 -2.05 4.64 -1.77 -2.16 113.55 111.27 1rxs h SER 2073Ca 0.03 -0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1rxs h SER 2073Cb 0.60 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 1rxs h SER 2073CO -0.20 0.70 0.33 0.74 -0.87 0.00 0.00 176.83 177.53 1rxs h THR 2074N 0.20 0.93 -0.40 2.95 2.02 -0.92 -1.50 112.91 116.20 1rxs h THR 2074Ca 0.01 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 1rxs h THR 2074Cb 0.91 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1rxs h THR 2074CO 0.07 0.11 -0.03 0.77 0.37 0.00 0.00 175.52 176.82 1rxs h SER 2075N 0.61 0.62 -0.07 4.18 4.64 0.67 -0.64 113.55 123.55 1rxs h SER 2075Ca 0.29 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1rxs h SER 2075Cb 0.22 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1rxs h SER 2075CO -0.20 0.71 0.02 0.40 -0.87 0.00 0.00 176.83 176.89 1rxs h ILE 2076N 0.61 1.17 0.05 0.95 2.04 -1.04 -1.92 117.51 119.38 1rxs h ILE 2076Ca 0.12 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1rxs h ILE 2076Cb 0.42 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1rxs h ILE 2076CO 0.02 0.15 -0.05 0.00 0.00 0.00 0.00 178.15 178.27 1rxs h ALA 2077N 0.83 -0.10 -0.36 1.87 0.00 -0.72 -1.60 119.26 119.19 1rxs h ALA 2077Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1rxs h ALA 2077Cb 0.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1rxs h ALA 2077CO -0.00 -0.56 0.12 0.28 0.00 0.00 0.00 179.25 179.08 1rxs h VAL 2078N -0.12 1.21 -0.33 0.00 2.07 -1.19 0.04 116.25 117.93 1rxs h VAL 2078Ca 0.00 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 66.91 1rxs h VAL 2078Cb 0.11 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1rxs h VAL 2078CO -0.02 0.23 0.09 -0.08 0.02 0.00 0.00 177.57 177.81 1rxs h GLU 2079N 0.42 0.20 -0.04 1.57 4.57 -1.21 0.09 114.58 120.19 1rxs h GLU 2079Ca 0.12 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.10 1rxs h GLU 2079Cb 0.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1rxs h GLU 2079CO -0.00 0.14 -0.79 0.93 -1.18 0.00 0.00 179.01 178.10 1rxs h GLU 2080N 0.21 0.30 -0.55 1.92 5.08 -1.10 -1.07 114.58 119.37 1rxs h GLU 2080Ca 0.15 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1rxs h GLU 2080Cb 0.15 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1rxs h GLU 2080CO -0.18 0.95 0.10 -0.07 -1.00 0.00 0.00 179.01 178.81 1rxs h LEU 2081N 0.19 0.86 -0.73 1.33 3.38 -0.84 -2.11 115.31 117.40 1rxs h LEU 2081Ca -0.04 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1rxs h LEU 2081Cb 1.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1rxs h LEU 2081CO 0.13 0.89 0.48 0.00 0.09 0.00 0.00 178.44 180.03 1rxs h ALA 2082N 1.00 0.94 -0.44 1.53 0.00 -0.67 -0.61 119.26 121.00 1rxs h ALA 2082Ca 0.17 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1rxs h ALA 2082Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1rxs h ALA 2082CO 0.01 0.33 0.30 1.96 0.00 0.00 0.00 179.25 181.84 1rxs h GLN 2083N 0.97 0.47 -0.00 0.00 4.20 -0.91 -1.00 115.11 118.84 1rxs h GLN 2083Ca 0.27 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1rxs h GLN 2083Cb -0.09 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1rxs h GLN 2083CO -0.07 0.31 -0.18 1.28 -0.67 0.00 0.00 178.83 179.50 1rxs n LEU 2084N -4.48 0.21 0.00 1.46 4.32 -0.34 -4.92 117.00 113.26 1rxs n LEU 2084Ca 0.05 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 1rxs n LEU 2084Cb 0.15 -0.38 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 1rxs n LEU 2084CO 0.35 0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1rxs n GLY 2085N 1.47 1.05 3.74 -0.72 0.00 -0.38 -4.78 105.19 105.58 1rxs n GLY 2085Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 3.12 0.00 -0.61 -1.09 -0.73 -4.50 121.20 115.39 1rxs s ILE 2086Ca 0.00 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1rxs s ILE 2086Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1rxs s ILE 2086CO 0.00 0.14 0.00 0.54 -1.23 0.00 0.00 174.94 174.39 1rxs n ARG 2087N 2.59 5.01 -4.09 2.79 5.12 0.45 -4.20 116.66 124.33 1rxs n ARG 2087Ca 0.06 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 1rxs n ARG 2087Cb 0.42 -0.49 -0.17 0.00 -1.16 0.00 0.00 32.46 31.06 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 -0.96 0.70 -0.15 0.55 2.01 -0.85 -1.11 115.64 115.83 1rxs s THR 2088Ca 0.00 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1rxs s THR 2088Cb 0.00 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1rxs s THR 2088CO 0.00 0.28 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.65 1rxs s PHE 2089N 1.28 2.64 -0.27 4.92 0.08 0.10 -0.58 117.98 126.15 1rxs s PHE 2089Ca -0.05 -1.42 -0.02 0.00 0.12 0.00 0.00 56.93 55.57 1rxs s PHE 2089Cb -0.14 -1.82 0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1rxs s PHE 2089CO -0.02 -0.67 -0.03 -0.51 -0.10 0.00 0.00 175.22 173.88 1rxs s LEU 2090N 1.02 3.52 0.02 -0.37 1.43 -0.06 -1.29 118.68 122.95 1rxs s LEU 2090Ca -0.02 -1.06 -0.22 0.00 -1.03 0.00 0.00 54.13 51.80 1rxs s LEU 2090Cb -0.14 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 1rxs s LEU 2090CO -0.06 -0.19 0.66 -0.60 0.23 0.00 0.00 176.35 176.39 1rxs s ARG 2091N 1.29 4.39 -0.12 1.70 3.52 -0.17 -0.29 118.95 129.27 1rxs s ARG 2091Ca -0.02 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 56.45 1rxs s ARG 2091Cb -0.18 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1rxs s ARG 2091CO -0.03 0.34 -0.14 -1.50 -0.81 0.00 0.00 175.30 173.16 1rxs s ILE 2092N -0.17 1.48 0.36 4.11 -1.16 -1.20 -1.52 121.20 123.10 1rxs s ILE 2092Ca 0.34 -0.62 0.07 0.00 -0.51 0.00 0.00 60.65 59.93 1rxs s ILE 2092Cb -0.19 -1.37 -0.03 0.00 0.61 0.00 0.00 42.46 41.48 1rxs s ILE 2092CO 0.19 0.44 0.25 0.61 -2.81 0.00 0.00 174.94 173.62 1rxs n GLY 2093N 4.36 2.98 3.67 1.50 0.00 -0.50 -3.88 105.19 113.31 1rxs n GLY 2093Ca -0.18 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 1rxs n GLY 2093CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rxs s THR 2094N -3.31 3.85 0.10 2.61 -4.23 -1.26 -1.21 115.64 112.19 1rxs s THR 2094Ca 0.35 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 59.55 1rxs s THR 2094Cb 0.02 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1rxs s THR 2094CO 0.25 0.03 0.32 0.28 -0.54 0.00 0.00 174.62 174.96 1rxs s THR 2095N -1.45 0.09 -0.24 3.99 -1.32 -0.28 -4.87 115.64 111.56 1rxs s THR 2095Ca 0.26 -0.77 -0.08 0.00 -1.21 0.00 0.00 61.69 59.89 1rxs s THR 2095Cb -0.11 -1.17 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 1rxs s THR 2095CO 0.18 -0.42 0.09 -0.83 -2.21 0.00 0.00 174.62 171.42 1rxs s GLY 2096N -2.65 1.81 0.33 6.08 0.00 -1.04 -0.54 107.32 111.30 1rxs s GLY 2096Ca 0.02 -1.06 -0.26 0.00 0.00 0.00 0.00 44.72 43.42 1rxs s GLY 2096CO -0.10 0.47 0.94 0.00 0.00 0.00 0.00 173.10 174.41 1rxs s ALA 2097N 1.43 3.20 -0.17 3.20 0.00 -0.07 -0.99 121.76 128.36 1rxs s ALA 2097Ca 0.06 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1rxs s ALA 2097Cb -0.15 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1rxs s ALA 2097CO 0.04 0.18 0.76 0.44 0.00 0.00 0.00 175.76 177.18 1rxs n ILE 2098N 0.49 0.44 -4.03 0.00 -5.35 0.36 -0.11 119.36 111.16 1rxs n ILE 2098Ca 0.02 -0.72 -0.36 0.00 -0.27 0.00 0.00 62.75 61.42 1rxs n ILE 2098Cb 0.50 0.80 -0.08 0.00 -1.74 0.00 0.00 39.64 39.13 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 -0.52 3.42 0.59 6.28 -1.52 -1.24 -4.73 119.66 121.95 1rxs s GLN 2099Ca 0.03 -0.25 0.37 0.00 -1.95 0.00 0.00 55.36 53.56 1rxs s GLN 2099Cb 0.02 -3.09 1.83 0.00 -0.22 0.00 0.00 33.01 31.55 1rxs s GLN 2099CO 0.02 0.66 2.17 -1.00 -0.25 0.00 0.00 175.29 176.89 1rxs h PRO 2100N 5.36 0.00 -0.01 2.91 0.13 -1.96 -2.79 132.00 135.64 1rxs h PRO 2100Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1rxs h PRO 2100Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1rxs h PRO 2100CO 0.60 0.02 -0.36 -2.39 -0.23 0.00 0.00 178.00 175.64 1rxs n HIS 2101N -3.20 0.00 -3.24 1.56 1.44 -1.26 -4.83 115.22 105.68 1rxs n HIS 2101Ca -0.01 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.30 1rxs n HIS 2101Cb 0.19 -0.14 -0.07 0.00 0.12 0.00 0.00 29.99 30.10 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 -2.63 5.09 0.23 0.61 1.01 -1.05 -5.06 121.20 119.39 1rxs s ILE 2102Ca 0.20 0.92 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 1rxs s ILE 2102Cb 0.19 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 1rxs s ILE 2102CO 0.58 0.13 0.42 0.20 0.00 0.00 0.00 174.94 176.28 1rxs s ASN 2103N 1.33 6.38 0.21 3.58 0.01 -1.26 -4.86 114.94 120.32 1rxs s ASN 2103Ca 0.23 0.42 -0.32 0.00 -0.71 0.00 0.00 52.86 52.47 1rxs s ASN 2103Cb -0.15 -2.02 -0.12 0.00 0.41 0.00 0.00 41.25 39.37 1rxs s ASN 2103CO 0.09 -0.09 1.69 0.52 -1.51 0.00 0.00 177.10 177.80 1rxs n VAL 2104N -0.87 0.10 0.00 1.60 0.31 -1.26 -1.33 118.33 116.88 1rxs n VAL 2104Ca -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1rxs n VAL 2104Cb 0.54 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 3.71 3.13 3.72 2.92 0.00 -0.18 -5.00 105.19 113.48 1rxs n GLY 2105Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.18 3.80 -0.14 1.61 1.11 -0.45 -4.69 116.67 116.74 1rxs s ASP 2106Ca 0.00 2.12 -0.02 0.00 0.18 0.00 0.00 52.55 54.83 1rxs s ASP 2106Cb 0.00 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 1rxs s ASP 2106CO 0.00 -2.52 -0.07 -0.69 1.18 0.00 0.00 175.17 173.08 1rxs s VAL 2107N -2.54 3.63 -0.15 -1.27 1.01 -0.76 -1.26 120.40 119.05 1rxs s VAL 2107Ca 0.67 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 1rxs s VAL 2107Cb -0.23 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1rxs s VAL 2107CO 0.53 0.51 -0.13 -0.76 0.00 0.00 0.00 175.10 175.25 1rxs s LEU 2108N 0.22 2.61 -0.26 3.92 1.43 0.94 -1.56 118.68 125.99 1rxs s LEU 2108Ca -0.04 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1rxs s LEU 2108Cb -0.14 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1rxs s LEU 2108CO 0.04 0.11 0.09 -0.69 0.23 0.00 0.00 176.35 176.13 1rxs s VAL 2109N 0.68 4.46 -0.12 -1.59 1.01 -0.17 -1.14 120.40 123.52 1rxs s VAL 2109Ca -0.07 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1rxs s VAL 2109Cb -0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1rxs s VAL 2109CO 0.02 0.31 0.87 -0.89 0.00 0.00 0.00 175.10 175.41 1rxs s THR 2110N 1.63 4.88 -0.03 3.92 2.01 -0.89 -1.57 115.64 125.59 1rxs s THR 2110Ca 0.06 1.76 -0.05 0.00 0.31 0.00 0.00 61.69 63.77 1rxs s THR 2110Cb -0.15 -4.19 -0.28 0.00 0.01 0.00 0.00 72.50 67.88 1rxs s THR 2110CO 0.05 0.07 0.73 0.71 -0.69 0.00 0.00 174.62 175.49 1rxs h THR 2111N 5.06 1.01 -2.73 -0.82 1.35 -1.30 -3.41 112.91 112.07 1rxs h THR 2111Ca -0.33 -2.65 0.05 0.00 -0.55 0.00 0.00 66.41 62.93 1rxs h THR 2111Cb 1.15 2.71 -0.12 0.00 -1.73 0.00 0.00 68.15 70.17 1rxs h THR 2111CO 0.82 0.82 0.32 0.00 -0.25 0.00 0.00 175.52 177.23 1rxs s ALA 2112N -2.60 -1.62 0.05 6.62 0.00 -1.26 -0.64 121.76 122.32 1rxs s ALA 2112Ca -0.12 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.43 1rxs s ALA 2112Cb 0.06 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1rxs s ALA 2112CO 0.84 -0.81 -0.25 -1.12 0.00 0.00 0.00 175.76 174.42 1rxs s SER 2113N -2.71 3.02 -0.08 0.00 0.01 0.24 -2.16 113.70 112.02 1rxs s SER 2113Ca 0.05 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 1rxs s SER 2113Cb -0.02 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1rxs s SER 2113CO -0.08 0.24 1.55 -0.69 0.41 0.00 0.00 173.24 174.67 1rxs s VAL 2114N -0.81 3.77 -1.18 3.43 1.01 0.16 -4.36 120.40 122.42 1rxs s VAL 2114Ca 0.11 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 1rxs s VAL 2114Cb -0.10 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1rxs s VAL 2114CO 0.02 -0.08 1.61 -0.13 0.00 0.00 0.00 175.10 176.52 1rxs s ARG 2115N 3.88 3.81 -0.54 2.72 0.52 -1.26 -1.82 118.95 126.26 1rxs s ARG 2115Ca 0.68 -1.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 1rxs s ARG 2115Cb -0.30 -5.46 0.55 0.00 0.52 0.00 0.00 34.95 30.27 1rxs s ARG 2115CO 0.26 -2.23 1.93 1.28 0.02 0.00 0.00 175.30 176.55 1rxs n LEU 2116N 8.60 7.03 -4.63 2.53 4.77 0.23 -4.96 117.00 130.57 1rxs n LEU 2116Ca 0.42 -3.97 -0.29 0.00 -0.03 0.00 0.00 56.01 52.15 1rxs n LEU 2116Cb 0.48 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1rxs n LEU 2116CO 0.72 1.29 -0.24 1.51 -1.33 0.00 0.00 177.39 179.33 1rxs s ASP 2117N -1.67 3.46 -0.19 -1.43 3.84 -1.24 -1.50 116.67 117.94 1rxs s ASP 2117Ca 0.60 -1.59 0.07 0.00 -0.00 0.00 0.00 52.55 51.63 1rxs s ASP 2117Cb 0.49 0.32 -0.16 0.00 -1.38 0.00 0.00 42.92 42.18 1rxs s ASP 2117CO 0.05 -0.79 -0.09 0.61 -0.00 0.00 0.00 175.17 174.95 1rxs n GLY 2118N -1.04 -0.50 0.29 2.12 0.00 -1.26 -4.63 105.19 100.16 1rxs n GLY 2118Ca -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 0.33 1.04 -0.97 4.61 0.00 -1.98 -2.67 119.26 119.62 1rxs h ALA 2119Ca -0.46 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.30 1rxs h ALA 2119Cb 1.84 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 1rxs h ALA 2119CO -0.03 0.60 0.59 0.66 0.00 0.00 0.00 179.25 181.07 1rxs h SER 2120N 0.78 0.84 0.00 0.00 4.64 -1.85 0.18 113.55 118.15 1rxs h SER 2120Ca 0.15 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1rxs h SER 2120Cb 0.49 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1rxs h SER 2120CO 0.02 0.43 0.15 -0.07 -0.87 0.00 0.00 176.83 176.49 1rxs h LEU 2121N 0.91 0.00 -0.14 5.97 3.38 -1.58 0.73 115.31 124.58 1rxs h LEU 2121Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1rxs h LEU 2121Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1rxs h LEU 2121CO -0.29 0.00 -0.17 1.41 0.09 0.00 0.00 178.44 179.48 1rxs n HIS 2122N -2.52 0.00 -0.03 1.13 8.25 0.64 -4.07 115.22 118.61 1rxs n HIS 2122Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1rxs n HIS 2122Cb 0.19 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.18 0.00 -3.71 4.41 3.72 0.17 -5.07 117.46 115.80 1rxs n PHE 2123Ca 0.11 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.37 1rxs n PHE 2123Cb 0.31 -0.28 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.14 -0.98 1.02 4.37 0.00 -0.74 -5.02 121.76 118.26 1rxs s ALA 2124Ca -0.07 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1rxs s ALA 2124Cb 0.02 0.07 0.20 0.00 0.00 0.00 0.00 23.12 23.41 1rxs s ALA 2124CO 0.19 -0.29 1.08 -1.25 0.00 0.00 0.00 175.76 175.49 1rxs s PRO 2125N -1.34 0.28 0.43 0.00 0.04 -1.26 -3.87 135.00 129.28 1rxs s PRO 2125Ca -0.13 0.70 0.12 0.00 0.04 0.00 0.00 61.00 61.73 1rxs s PRO 2125Cb -0.04 -1.71 0.95 0.00 0.04 0.00 0.00 34.50 33.75 1rxs s PRO 2125CO 0.05 -2.88 2.01 1.25 0.04 0.00 0.00 177.00 177.47 1rxs h LEU 2126N -2.01 0.16 -0.90 -3.56 5.85 -1.95 -2.15 115.31 110.76 1rxs h LEU 2126Ca -0.55 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1rxs h LEU 2126Cb 1.32 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1rxs h LEU 2126CO 0.55 0.25 0.00 -1.84 -0.34 0.00 0.00 178.44 177.05 1rxs n GLU 2127N -4.37 0.16 -2.79 1.25 0.00 -1.26 -4.66 120.64 108.97 1rxs n GLU 2127Ca -0.01 0.49 -0.41 0.00 0.00 0.00 0.00 57.16 57.23 1rxs n GLU 2127Cb 0.19 -1.87 -0.04 0.00 0.00 0.00 0.00 31.44 29.72 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 -3.37 3.79 0.11 -1.84 5.36 -0.81 -5.00 117.98 116.22 1rxs s PHE 2128Ca 0.02 1.72 -0.30 0.00 -0.96 0.00 0.00 56.93 57.41 1rxs s PHE 2128Cb 0.08 -3.00 -0.06 0.00 -0.34 0.00 0.00 43.02 39.70 1rxs s PHE 2128CO 0.30 0.22 1.10 -1.25 -1.46 0.00 0.00 175.22 174.13 1rxs s PRO 2129N 0.01 4.55 -1.46 10.12 0.04 -1.26 -4.93 135.00 142.07 1rxs s PRO 2129Ca 0.45 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1rxs s PRO 2129Cb -0.23 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.02 1rxs s PRO 2129CO 0.28 -0.03 2.25 0.00 0.04 0.00 0.00 177.00 179.55 1rxs n ALA 2130N 3.08 5.63 -2.83 8.56 0.00 -1.26 -4.75 120.51 128.94 1rxs n ALA 2130Ca 0.05 -3.88 -0.36 0.00 0.00 0.00 0.00 53.44 49.25 1rxs n ALA 2130Cb 0.47 -3.52 -0.07 0.00 0.00 0.00 0.00 19.45 16.33 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 3.10 5.47 0.60 0.00 0.11 -1.26 -0.59 120.40 127.83 1rxs s VAL 2131Ca 0.48 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.59 1rxs s VAL 2131Cb 0.14 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.53 1rxs s VAL 2131CO -0.09 0.56 1.06 0.00 -3.33 0.00 0.00 175.10 173.31 1rxs s ALA 2132N -0.61 2.73 0.23 1.54 0.00 0.19 -4.67 121.76 121.18 1rxs s ALA 2132Ca 0.13 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1rxs s ALA 2132Cb -0.12 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1rxs s ALA 2132CO 0.02 -0.86 1.41 0.34 0.00 0.00 0.00 175.76 176.68 1rxs s ASP 2133N -2.86 6.71 0.22 0.00 -1.08 0.18 -4.92 116.67 114.91 1rxs s ASP 2133Ca 0.63 2.61 -0.08 0.00 -0.52 0.00 0.00 52.55 55.18 1rxs s ASP 2133Cb -0.16 -2.62 0.17 0.00 -1.46 0.00 0.00 42.92 38.85 1rxs s ASP 2133CO 0.38 -0.67 1.83 0.15 0.52 0.00 0.00 175.17 177.39 1rxs h PHE 2134N 5.17 1.13 -0.50 -5.34 3.04 -1.95 -0.19 116.94 118.30 1rxs h PHE 2134Ca -0.46 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.38 1rxs h PHE 2134Cb 1.22 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 1rxs h PHE 2134CO 0.61 0.79 0.01 0.93 -2.02 0.00 0.00 178.31 178.63 1rxs h GLU 2135N 1.14 0.88 -0.07 1.11 5.08 -1.95 -0.53 114.58 120.22 1rxs h GLU 2135Ca 0.29 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1rxs h GLU 2135Cb 0.05 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1rxs h GLU 2135CO -0.04 0.91 0.03 0.00 -1.00 0.00 0.00 179.01 178.90 1rxs h THR 2137N -0.06 0.88 -0.27 0.00 2.02 -1.02 -0.68 112.91 113.79 1rxs h THR 2137Ca 0.02 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1rxs h THR 2137Cb 0.19 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1rxs h THR 2137CO -0.00 0.09 0.14 0.74 0.37 0.00 0.00 175.52 176.86 1rxs h THR 2138N 0.47 1.01 -0.68 3.16 2.02 -0.76 -0.29 112.91 117.84 1rxs h THR 2138Ca 0.26 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.36 1rxs h THR 2138Cb 0.24 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1rxs h THR 2138CO -0.22 0.05 0.44 0.00 0.37 0.00 0.00 175.52 176.16 1rxs h ALA 2139N 1.13 0.88 -0.33 6.16 0.00 -0.35 0.11 119.26 126.85 1rxs h ALA 2139Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1rxs h ALA 2139Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rxs h ALA 2139CO -0.06 0.23 0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1rxs h LEU 2140N 0.87 0.51 -0.21 0.00 3.38 -0.77 0.15 115.31 119.25 1rxs h LEU 2140Ca 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1rxs h LEU 2140Cb -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1rxs h LEU 2140CO -0.08 0.63 0.06 0.58 0.09 0.00 0.00 178.44 179.72 1rxs h VAL 2141N 0.38 1.20 -0.64 1.22 2.07 -0.64 -1.42 116.25 118.42 1rxs h VAL 2141Ca 0.10 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1rxs h VAL 2141Cb 0.33 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1rxs h VAL 2141CO 0.00 0.20 0.27 -0.33 0.02 0.00 0.00 177.57 177.73 1rxs h GLU 2142N 0.16 0.95 -0.61 1.57 5.08 -0.71 -1.79 114.58 119.23 1rxs h GLU 2142Ca 0.07 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1rxs h GLU 2142Cb 0.25 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1rxs h GLU 2142CO -0.00 0.79 0.36 0.00 -1.00 0.00 0.00 179.01 179.16 1rxs h ALA 2143N 1.11 0.79 -0.24 3.43 0.00 -0.49 -2.23 119.26 121.64 1rxs h ALA 2143Ca 0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1rxs h ALA 2143Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rxs h ALA 2143CO -0.02 0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.15 1rxs h ALA 2144N 1.28 1.28 -0.57 0.00 0.00 -0.93 -2.34 119.26 117.97 1rxs h ALA 2144Ca 0.25 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1rxs h ALA 2144Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rxs h ALA 2144CO -0.12 0.48 0.01 -0.22 0.00 0.00 0.00 179.25 179.40 1rxs h LYS 2145N 0.38 0.98 0.00 0.00 1.63 -0.79 -0.91 116.57 117.86 1rxs h LYS 2145Ca 0.07 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.51 1rxs h LYS 2145Cb 0.52 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1rxs h LYS 2145CO 0.03 0.96 -0.35 0.66 -3.45 0.00 0.00 179.45 177.30 1rxs h SER 2146N 0.90 0.00 -0.02 4.20 4.64 -0.89 -2.98 113.55 119.40 1rxs h SER 2146Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1rxs h SER 2146Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rxs h SER 2146CO 0.02 0.35 -0.30 2.30 -0.87 0.00 0.00 176.83 178.33 1rxs n ILE 2147N -3.22 0.00 -1.64 0.95 -6.64 -1.02 -4.99 119.36 102.80 1rxs n ILE 2147Ca 0.02 -0.35 -0.12 0.00 -1.77 0.00 0.00 62.75 60.53 1rxs n ILE 2147Cb 0.64 1.32 -0.04 0.00 -1.44 0.00 0.00 39.64 40.13 1rxs n ILE 2147CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1rxs n GLY 2148N 1.33 0.81 3.77 3.28 0.00 -0.36 -4.98 105.19 109.04 1rxs n GLY 2148Ca 0.10 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.48 2.98 -0.09 4.61 0.00 -1.13 -4.99 121.76 120.66 1rxs s ALA 2149Ca 0.00 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 1rxs s ALA 2149Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1rxs s ALA 2149CO 0.00 -0.67 1.25 -0.08 0.00 0.00 0.00 175.76 176.26 1rxs s THR 2150N -1.53 4.21 -0.02 0.00 -1.32 -1.26 -4.77 115.64 110.95 1rxs s THR 2150Ca 0.63 1.51 0.03 0.00 -1.21 0.00 0.00 61.69 62.66 1rxs s THR 2150Cb -0.29 -3.97 -0.00 0.00 -1.51 0.00 0.00 72.50 66.72 1rxs s THR 2150CO 0.35 -0.05 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.70 1rxs s THR 2151N 2.70 1.00 0.01 5.08 2.01 -1.26 -1.84 115.64 123.34 1rxs s THR 2151Ca 0.56 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 62.13 1rxs s THR 2151Cb -0.24 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1rxs s THR 2151CO 0.20 0.29 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.21 1rxs s HIS 2152N -0.03 2.46 -0.11 4.92 3.76 -0.60 -4.99 115.29 120.69 1rxs s HIS 2152Ca -0.00 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1rxs s HIS 2152Cb -0.08 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.14 1rxs s HIS 2152CO 0.00 0.13 -0.19 0.08 -0.85 0.00 0.00 174.74 173.91 1rxs s VAL 2153N -0.77 1.76 -3.43 -0.90 1.01 -1.26 -1.00 120.40 115.80 1rxs s VAL 2153Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1rxs s VAL 2153Cb -0.10 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1rxs s VAL 2153CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1rxs n GLY 2154N 4.00 -0.54 3.80 4.51 0.00 -0.61 -4.96 105.19 111.38 1rxs n GLY 2154Ca -0.20 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.32 4.51 -0.04 1.61 1.01 -1.26 -0.78 120.40 122.13 1rxs s VAL 2155Ca 0.00 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.50 1rxs s VAL 2155Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1rxs s VAL 2155CO 0.00 0.44 -0.22 -0.89 0.00 0.00 0.00 175.10 174.42 1rxs s THR 2156N -1.25 1.81 -0.23 3.92 2.01 -0.92 -0.75 115.64 120.24 1rxs s THR 2156Ca 0.36 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 1rxs s THR 2156Cb -0.20 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1rxs s THR 2156CO 0.23 0.51 0.44 0.00 -0.69 0.00 0.00 174.62 175.11 1rxs s ALA 2157N -0.29 3.56 -0.24 7.40 0.00 0.12 0.38 121.76 132.69 1rxs s ALA 2157Ca 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1rxs s ALA 2157Cb -0.11 -2.73 0.02 0.00 0.00 0.00 0.00 23.12 20.30 1rxs s ALA 2157CO 0.01 -0.48 -0.06 0.45 0.00 0.00 0.00 175.76 175.68 1rxs s SER 2158N 1.27 4.27 -0.07 0.00 0.15 -0.76 -1.86 113.70 116.70 1rxs s SER 2158Ca 0.20 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 56.09 1rxs s SER 2158Cb -0.15 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1rxs s SER 2158CO 0.09 -0.11 -0.21 -0.55 1.20 0.00 0.00 173.24 173.66 1rxs s SER 2159N 1.35 3.44 0.00 5.45 0.15 0.80 -0.60 113.70 124.28 1rxs s SER 2159Ca 0.01 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.30 1rxs s SER 2159Cb -0.16 -1.02 0.24 0.00 -1.71 0.00 0.00 66.02 63.37 1rxs s SER 2159CO -0.05 0.24 1.15 0.47 1.20 0.00 0.00 173.24 176.26 1rxs n ASP 2160N 2.96 0.00 -4.21 5.45 9.92 -0.56 -4.38 116.55 125.73 1rxs n ASP 2160Ca -0.18 0.45 -0.16 0.00 -0.53 0.00 0.00 54.79 54.37 1rxs n ASP 2160Cb 0.52 -0.46 -0.11 0.00 -0.64 0.00 0.00 41.12 40.43 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 -2.93 1.16 0.00 -3.53 -4.23 -1.26 -5.00 115.64 99.85 1rxs s THR 2161Ca 0.03 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1rxs s THR 2161Cb 0.04 -1.47 -0.26 0.00 1.34 0.00 0.00 72.50 72.15 1rxs s THR 2161CO 0.10 -0.49 0.85 0.15 -0.54 0.00 0.00 174.62 174.69 1rxs h PHE 2162N 3.51 0.30 0.00 3.99 3.57 -1.97 -3.38 116.94 122.96 1rxs h PHE 2162Ca -0.39 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 60.89 1rxs h PHE 2162Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1rxs h PHE 2162CO 0.64 1.28 0.00 0.66 -2.23 0.00 0.00 178.31 178.66 1rxs n TYR 2163N -3.36 0.00 -0.26 0.41 4.01 -1.26 -4.31 117.16 112.39 1rxs n TYR 2163Ca -0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.55 1rxs n TYR 2163Cb 1.03 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.12 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 0.94 0.00 -0.72 0.13 -1.88 -1.58 132.00 128.90 1rxs h PRO 2164Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1rxs h PRO 2164Cb 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 30.92 1rxs h PRO 2164CO 0.00 0.63 0.00 0.78 -0.23 0.00 0.00 178.00 179.18 1rxs h GLY 2165N 0.97 0.00 -1.62 1.56 0.00 -1.86 0.30 103.07 102.42 1rxs h GLY 2165Ca 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1rxs h GLY 2165CO -0.07 0.00 -0.01 -1.06 0.00 0.00 0.00 176.54 175.41 1rxs n GLN 2166N -2.60 2.56 -4.08 4.80 6.02 -0.76 -4.92 117.38 118.41 1rxs n GLN 2166Ca -0.02 -2.91 -0.29 0.00 -0.01 0.00 0.00 57.00 53.78 1rxs n GLN 2166Cb 0.08 -1.82 -0.04 0.00 1.02 0.00 0.00 30.24 29.48 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 -0.72 -2.86 -3.06 -1.09 2.13 0.11 -4.95 120.64 110.18 1rxs n GLU 2167Ca 0.24 0.34 -0.39 0.00 0.66 0.00 0.00 57.16 58.01 1rxs n GLU 2167Cb 0.92 -4.50 -0.05 0.00 0.27 0.00 0.00 31.44 28.08 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 -6.78 4.44 -0.02 5.31 0.52 -0.67 -4.98 118.95 116.77 1rxs s ARG 2168Ca 0.17 0.96 0.15 0.00 -0.52 0.00 0.00 55.73 56.49 1rxs s ARG 2168Cb -0.09 -3.34 -0.23 0.00 0.52 0.00 0.00 34.95 31.82 1rxs s ARG 2168CO 0.92 0.37 0.36 0.66 0.02 0.00 0.00 175.30 177.62 1rxs n TYR 2169N 2.55 0.00 -1.85 -0.53 4.01 -1.26 -4.45 117.16 115.63 1rxs n TYR 2169Ca -0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.29 1rxs n TYR 2169Cb 0.50 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.95 3.68 -4.20 7.72 10.43 -1.26 -4.06 116.55 126.91 1rxs n ASP 2170Ca -0.02 -2.80 -0.16 0.00 2.57 0.00 0.00 54.79 54.38 1rxs n ASP 2170Cb 0.37 -1.56 -0.10 0.00 1.84 0.00 0.00 41.12 41.67 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 5.14 0.40 0.22 -3.53 -4.23 -1.26 -5.00 115.64 107.38 1rxs s THR 2171Ca 0.55 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1rxs s THR 2171Cb 0.09 -2.58 0.20 0.00 1.34 0.00 0.00 72.50 71.55 1rxs s THR 2171CO 0.04 0.00 1.67 0.22 -0.54 0.00 0.00 174.62 176.01 1rxs h TYR 2172N 2.37 0.07 0.00 3.99 3.20 -1.99 -2.94 116.97 121.67 1rxs h TYR 2172Ca -0.37 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.35 1rxs h TYR 2172Cb 1.25 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.55 1rxs h TYR 2172CO 0.61 -0.13 -1.59 -1.13 -1.64 0.00 0.00 178.16 174.28 1rxs n SER 2173N -5.23 0.72 0.00 -2.11 3.41 -1.26 -4.96 113.62 104.19 1rxs n SER 2173Ca 0.10 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1rxs n SER 2173Cb 0.37 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.37 3.74 5.00 0.00 -1.11 -4.99 105.19 109.63 1rxs n GLY 2174Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.75 2.56 -0.08 1.61 1.70 -1.26 -4.90 118.95 117.83 1rxs s ARG 2175Ca 0.00 -1.29 0.02 0.00 -0.47 0.00 0.00 55.73 53.99 1rxs s ARG 2175Cb 0.00 -2.33 0.01 0.00 -0.57 0.00 0.00 34.95 32.06 1rxs s ARG 2175CO 0.00 0.33 -0.13 0.08 -1.08 0.00 0.00 175.30 174.50 1rxs s VAL 2176N -2.27 1.25 0.37 4.99 1.01 -1.26 -4.92 120.40 119.57 1rxs s VAL 2176Ca 0.33 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 1rxs s VAL 2176Cb -0.06 -1.14 -0.12 0.00 0.00 0.00 0.00 36.38 35.06 1rxs s VAL 2176CO 0.23 0.38 0.88 0.55 0.00 0.00 0.00 175.10 177.13 1rxs n VAL 2177N 3.89 2.13 -0.36 2.92 3.14 -1.26 -4.56 118.33 124.24 1rxs n VAL 2177Ca -0.22 -0.50 0.01 0.00 -2.96 0.00 0.00 64.34 60.68 1rxs n VAL 2177Cb 0.52 -0.91 0.07 0.00 -1.06 0.00 0.00 33.84 32.46 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 0.46 -0.17 -0.24 1.45 0.63 -1.26 -0.55 116.66 116.98 1rxs n ARG 2178Ca 0.10 1.48 0.29 0.00 -0.92 0.00 0.00 57.85 58.80 1rxs n ARG 2178Cb 0.36 -2.20 0.69 0.00 0.45 0.00 0.00 32.46 31.76 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 0.13 -0.01 -0.14 2.76 -2.03 -2.24 115.15 113.62 1rxs h HIS 2179Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1rxs h HIS 2179Cb 0.62 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1rxs h HIS 2179CO -0.80 0.02 -0.50 1.19 -1.30 0.00 0.00 177.93 176.54 1rxs n PHE 2180N -4.31 0.00 -1.70 5.26 3.01 0.29 -4.81 117.46 115.20 1rxs n PHE 2180Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.25 1rxs n PHE 2180Cb 1.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.44 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 -2.12 4.14 -0.10 -1.08 1.02 -0.85 -0.87 119.74 119.88 1rxs s LYS 2181Ca 0.10 2.60 0.00 0.00 0.02 0.00 0.00 55.97 58.68 1rxs s LYS 2181Cb 0.12 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1rxs s LYS 2181CO 0.50 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1rxs n GLY 2182N 4.36 0.46 0.18 -3.33 0.00 -1.26 -4.93 105.19 100.67 1rxs n GLY 2182Ca 0.19 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.58 -0.71 1.61 4.64 -1.32 -3.13 113.55 115.22 1rxs h SER 2183Ca -0.02 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1rxs h SER 2183Cb 0.24 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1rxs h SER 2183CO 0.03 1.18 0.41 -0.03 -0.87 0.00 0.00 176.83 177.55 1rxs h MET 2184N 0.31 0.98 -0.43 4.77 -1.53 -1.92 -1.53 114.93 115.57 1rxs h MET 2184Ca -0.05 -0.10 -0.06 0.00 -3.44 0.00 0.00 59.70 56.05 1rxs h MET 2184Cb 1.42 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 32.25 1rxs h MET 2184CO 0.14 0.71 0.02 1.49 0.14 0.00 0.00 176.91 179.42 1rxs h GLU 2185N 0.97 0.68 -0.22 0.39 4.81 -1.96 -0.61 114.58 118.64 1rxs h GLU 2185Ca 0.25 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1rxs h GLU 2185Cb 0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1rxs h GLU 2185CO -0.04 0.68 0.06 0.93 -0.73 0.00 0.00 179.01 179.91 1rxs h GLU 2186N 0.65 0.35 -0.90 1.92 4.39 -1.34 -1.89 114.58 117.77 1rxs h GLU 2186Ca 0.14 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1rxs h GLU 2186Cb 0.37 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1rxs h GLU 2186CO 0.01 0.44 0.49 -1.49 -1.16 0.00 0.00 179.01 177.30 1rxs h TRP 2187N 0.18 1.24 -0.69 4.33 -0.00 -0.92 -2.37 115.95 117.72 1rxs h TRP 2187Ca 0.07 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.86 1rxs h TRP 2187Cb 0.25 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 28.98 1rxs h TRP 2187CO 0.00 0.86 0.15 1.96 -0.00 0.00 0.00 178.44 181.41 1rxs h GLN 2188N 1.26 1.12 0.00 0.49 4.20 -0.96 -1.51 115.11 119.71 1rxs h GLN 2188Ca 0.31 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1rxs h GLN 2188Cb 0.03 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1rxs h GLN 2188CO -0.05 1.00 -0.02 0.00 -0.67 0.00 0.00 178.83 179.09 1rxs h ALA 2189N 1.07 1.87 -0.12 3.87 0.00 -1.01 -1.77 119.26 123.17 1rxs h ALA 2189Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rxs h ALA 2189Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rxs h ALA 2189CO 0.01 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.95 1rxs n MET 2190N -4.37 1.65 -0.76 0.00 2.81 -0.63 -4.91 117.12 110.92 1rxs n MET 2190Ca -0.03 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 54.88 1rxs n MET 2190Cb 0.10 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 1.12 0.72 3.76 3.03 0.00 -0.67 -5.01 105.19 108.13 1rxs n GLY 2191Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.59 2.23 -0.03 1.61 1.01 -0.81 -4.64 120.40 117.18 1rxs s VAL 2192Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1rxs s VAL 2192Cb 0.00 -3.13 -0.28 0.00 0.00 0.00 0.00 36.38 32.98 1rxs s VAL 2192CO 0.00 0.04 0.73 0.24 0.00 0.00 0.00 175.10 176.11 1rxs h MET 2193N 4.46 0.26 -2.55 2.72 0.00 -1.27 -3.42 114.93 115.13 1rxs h MET 2193Ca -0.48 -0.44 0.11 0.00 0.00 0.00 0.00 59.70 58.89 1rxs h MET 2193Cb 1.22 0.17 -0.10 0.00 0.00 0.00 0.00 31.60 32.89 1rxs h MET 2193CO 0.75 1.12 0.40 0.54 0.00 0.00 0.00 176.91 179.72 1rxs s ASN 2194N -6.97 -0.29 -0.08 1.22 4.22 -1.26 -0.49 114.94 111.29 1rxs s ASN 2194Ca -0.12 -0.30 -0.01 0.00 -2.14 0.00 0.00 52.86 50.30 1rxs s ASN 2194Cb 0.07 0.53 -0.03 0.00 1.28 0.00 0.00 41.25 43.09 1rxs s ASN 2194CO 0.84 -0.94 -0.03 -0.31 -2.04 0.00 0.00 177.10 174.62 1rxs s TYR 2195N -3.44 3.04 0.06 1.54 2.02 -0.16 0.13 117.35 120.55 1rxs s TYR 2195Ca 0.09 0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 1rxs s TYR 2195Cb -0.02 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1rxs s TYR 2195CO -0.01 0.38 0.11 -0.85 -1.57 0.00 0.00 175.55 173.60 1rxs n GLU 2196N 2.25 0.15 0.00 -0.62 -0.00 -0.78 -2.49 120.64 119.15 1rxs n GLU 2196Ca -0.18 -0.41 0.00 0.00 -0.00 0.00 0.00 57.16 56.56 1rxs n GLU 2196Cb 0.53 0.45 0.00 0.00 -0.00 0.00 0.00 31.44 32.43 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 -0.09 0.26 0.00 3.44 2.81 -1.26 -0.14 117.12 122.14 1rxs n MET 2197Ca -0.01 -0.67 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1rxs n MET 2197Cb 0.10 -0.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 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 -0.13 2.52 -0.28 0.03 4.71 -1.26 -3.61 120.64 122.61 1rxs n GLU 2198Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.16 57.09 1rxs n GLU 2198Cb 0.14 -0.79 0.06 0.00 -1.01 0.00 0.00 31.44 29.85 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 1.08 -0.43 1.62 4.64 -1.95 -0.77 113.55 117.74 1rxs h SER 2199Ca 0.00 -0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1rxs h SER 2199Cb 0.06 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 61.81 1rxs h SER 2199CO 0.00 0.96 0.08 0.00 -0.87 0.00 0.00 176.83 177.00 1rxs h ALA 2200N 1.16 0.46 0.21 5.18 0.00 -1.88 0.69 119.26 125.09 1rxs h ALA 2200Ca 0.26 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1rxs h ALA 2200Cb 0.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rxs h ALA 2200CO -0.02 -0.32 -0.10 1.15 0.00 0.00 0.00 179.25 179.96 1rxs h THR 2201N 0.21 0.87 0.12 0.00 2.02 -1.79 -2.14 112.91 112.20 1rxs h THR 2201Ca 0.21 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1rxs h THR 2201Cb 0.26 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1rxs h THR 2201CO -0.28 0.11 -0.19 0.25 0.37 0.00 0.00 175.52 175.79 1rxs h LEU 2202N -0.54 -0.52 -0.80 2.58 5.85 -0.61 -0.81 115.31 120.45 1rxs h LEU 2202Ca -0.03 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1rxs h LEU 2202Cb 0.40 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1rxs h LEU 2202CO 0.05 -0.27 0.08 -0.07 -0.34 0.00 0.00 178.44 177.88 1rxs h LEU 2203N -0.38 0.93 -0.09 2.25 3.38 0.31 -1.87 115.31 119.84 1rxs h LEU 2203Ca 0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1rxs h LEU 2203Cb 0.38 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1rxs h LEU 2203CO -0.09 0.95 -0.08 0.74 0.09 0.00 0.00 178.44 180.04 1rxs h THR 2204N 0.92 1.36 -0.36 0.22 2.02 -1.20 0.02 112.91 115.88 1rxs h THR 2204Ca 0.18 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.08 1rxs h THR 2204Cb 0.43 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1rxs h THR 2204CO 0.01 0.34 -0.05 0.00 0.37 0.00 0.00 175.52 176.20 1rxs h MET 2205N -0.18 0.59 0.11 6.66 -0.00 -1.09 -1.73 114.93 119.29 1rxs h MET 2205Ca 0.02 -0.15 -0.01 0.00 -0.00 0.00 0.00 59.70 59.56 1rxs h MET 2205Cb 0.59 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1rxs h MET 2205CO 0.02 0.65 -0.05 0.00 -0.00 0.00 0.00 176.91 177.53 1rxs h ALA 2207N -0.21 2.28 -0.14 0.00 0.00 -0.92 -0.25 119.26 120.02 1rxs h ALA 2207Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rxs h ALA 2207Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rxs h ALA 2207CO 0.02 -0.53 0.00 -1.13 0.00 0.00 0.00 179.25 177.61 1rxs n SER 2208N -4.46 1.86 -0.08 0.00 3.41 -0.66 -4.02 113.62 109.66 1rxs n SER 2208Ca 0.17 -1.69 0.02 0.00 -0.26 0.00 0.00 58.87 57.10 1rxs n SER 2208Cb 0.68 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.45 1.28 -1.38 4.33 6.02 -0.17 -5.00 117.38 122.91 1rxs n GLN 2209Ca 0.17 -1.26 -0.07 0.00 -0.01 0.00 0.00 57.00 55.83 1rxs n GLN 2209Cb 0.38 -0.84 -0.02 0.00 1.02 0.00 0.00 30.24 30.77 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 -0.41 0.74 3.85 1.08 0.00 -0.95 -5.03 105.19 104.48 1rxs n GLY 2210Ca 0.03 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.62 4.26 -0.02 0.99 1.43 -0.80 -5.05 118.68 117.87 1rxs s LEU 2211Ca 0.00 0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 53.25 1rxs s LEU 2211Cb 0.00 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1rxs s LEU 2211CO 0.00 0.38 0.78 -0.13 0.23 0.00 0.00 176.35 177.61 1rxs s ARG 2212N -1.16 4.48 0.02 1.70 0.52 -0.26 -3.91 118.95 120.33 1rxs s ARG 2212Ca 0.17 1.04 0.01 0.00 -0.52 0.00 0.00 55.73 56.43 1rxs s ARG 2212Cb -0.12 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 1rxs s ARG 2212CO 0.06 0.11 -0.05 0.00 0.02 0.00 0.00 175.30 175.44 1rxs s ALA 2213N 0.58 0.35 0.09 2.13 0.00 -1.26 0.01 121.76 123.66 1rxs s ALA 2213Ca 0.41 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1rxs s ALA 2213Cb -0.19 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1rxs s ALA 2213CO 0.22 -0.01 0.01 0.20 0.00 0.00 0.00 175.76 176.18 1rxs s GLY 2214N -0.89 0.73 -0.07 0.00 0.00 -0.41 -0.65 107.32 106.04 1rxs s GLY 2214Ca -0.06 -1.34 -0.03 0.00 0.00 0.00 0.00 44.72 43.29 1rxs s GLY 2214CO -0.00 -1.34 0.15 -0.29 0.00 0.00 0.00 173.10 171.61 1rxs s MET 2215N -3.98 0.08 0.00 2.90 0.00 -1.26 -1.00 119.30 116.04 1rxs s MET 2215Ca 0.16 0.40 -0.04 0.00 0.00 0.00 0.00 55.69 56.21 1rxs s MET 2215Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 34.83 34.71 1rxs s MET 2215CO -0.04 -0.19 0.07 0.54 0.00 0.00 0.00 175.02 175.40 1rxs s VAL 2216N 1.33 0.08 -0.06 10.11 0.11 -0.58 -2.09 120.40 129.30 1rxs s VAL 2216Ca -0.08 -0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 58.17 1rxs s VAL 2216Cb -0.12 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1rxs s VAL 2216CO -0.06 -0.35 0.37 0.00 -3.33 0.00 0.00 175.10 171.72 1rxs s ALA 2217N -1.15 -0.93 0.04 1.54 0.00 -0.29 -1.41 121.76 119.56 1rxs s ALA 2217Ca -0.12 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 1rxs s ALA 2217Cb -0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 1rxs s ALA 2217CO 0.00 -0.25 0.55 0.20 0.00 0.00 0.00 175.76 176.26 1rxs s GLY 2218N -0.87 2.63 -0.20 0.00 0.00 -0.35 -0.04 107.32 108.49 1rxs s GLY 2218Ca -0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.37 1rxs s GLY 2218CO 0.04 0.48 0.82 0.14 0.00 0.00 0.00 173.10 174.58 1rxs s VAL 2219N -0.89 4.87 -0.79 1.40 1.01 -0.39 -1.12 120.40 124.48 1rxs s VAL 2219Ca 0.28 1.59 0.10 0.00 0.00 0.00 0.00 61.98 63.96 1rxs s VAL 2219Cb -0.19 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1rxs s VAL 2219CO 0.18 -0.01 0.57 2.30 0.00 0.00 0.00 175.10 178.13 1rxs n ILE 2220N 4.95 0.00 -3.58 2.22 -5.35 0.29 -1.02 119.36 116.88 1rxs n ILE 2220Ca 0.05 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 62.02 1rxs n ILE 2220Cb 0.48 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 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 -1.60 0.01 -0.24 7.28 0.11 -1.23 -4.45 120.40 120.28 1rxs s VAL 2221Ca 0.07 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1rxs s VAL 2221Cb 0.08 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1rxs s VAL 2221CO 0.32 -0.04 0.07 0.21 -3.33 0.00 0.00 175.10 172.33 1rxs s ASN 2222N -0.90 5.21 0.03 3.54 3.84 -1.26 -0.89 114.94 124.51 1rxs s ASN 2222Ca -0.09 -0.17 0.24 0.00 0.21 0.00 0.00 52.86 53.04 1rxs s ASN 2222Cb -0.02 -1.94 0.99 0.00 -0.55 0.00 0.00 41.25 39.74 1rxs s ASN 2222CO 0.07 -0.02 1.76 0.54 -2.79 0.00 0.00 177.10 176.66 1rxs n ARG 2223N 4.81 0.03 0.00 0.43 5.12 0.85 -1.70 116.66 126.19 1rxs n ARG 2223Ca -0.16 0.12 0.15 0.00 -1.93 0.00 0.00 57.85 56.03 1rxs n ARG 2223Cb 0.52 -1.54 0.85 0.00 -1.16 0.00 0.00 32.46 31.12 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 -1.59 0.02 -0.01 0.55 -2.24 -1.26 -3.85 114.28 105.90 1rxs n THR 2224Ca 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1rxs n THR 2224Cb 0.29 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.09 2.29 -3.48 -0.78 6.02 -0.69 -5.11 117.38 114.53 1rxs n GLN 2225Ca 0.20 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 57.04 1rxs n GLN 2225Cb 0.14 -1.05 -0.05 0.00 1.02 0.00 0.00 30.24 30.30 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 -2.05 1.13 -0.20 -1.09 -0.21 -1.00 -5.07 119.66 111.17 1rxs s GLN 2226Ca -0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 55.36 55.35 1rxs s GLN 2226Cb 0.01 0.53 -0.21 0.00 1.00 0.00 0.00 33.01 34.34 1rxs s GLN 2226CO 0.08 -0.41 0.04 0.39 -2.12 0.00 0.00 175.29 173.26 1rxs n GLU 2227N 0.44 0.69 -4.25 2.91 1.02 -1.26 -3.99 120.64 116.20 1rxs n GLU 2227Ca -0.18 0.19 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 1rxs n GLU 2227Cb 0.60 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 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 4.01 0.61 -3.67 -1.09 -1.26 -5.03 121.20 112.24 1rxs s ILE 2228Ca -0.28 -0.31 -0.19 0.00 -2.23 0.00 0.00 60.65 57.64 1rxs s ILE 2228Cb 0.08 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1rxs s ILE 2228CO 0.68 0.47 1.24 -2.65 -1.23 0.00 0.00 174.94 173.45 1rxs n PRO 2229N 3.77 1.21 0.02 2.79 -0.02 -1.26 -5.06 135.00 136.46 1rxs n PRO 2229Ca -0.17 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1rxs n PRO 2229Cb 0.52 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.74 -0.05 0.00 2.55 2.35 -1.99 -3.51 115.58 115.66 1rxs h ASN 2230Ca -0.50 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 1rxs h ASN 2230Cb 1.34 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1rxs h ASN 2230CO 0.54 0.34 0.00 -0.24 -1.65 0.00 0.00 177.43 176.42 1rxs n SER 2239N -4.93 0.00 -0.11 5.81 2.88 -1.26 -5.17 113.62 110.84 1rxs n SER 2239Ca -0.08 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 1rxs n SER 2239Cb 0.22 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.89 -0.71 0.66 -0.00 -1.99 -3.06 115.15 110.94 1rxs h HIS 2240Ca 0.00 -0.25 -0.04 0.00 -0.00 0.00 0.00 60.37 60.08 1rxs h HIS 2240Cb 0.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1rxs h HIS 2240CO 0.00 1.00 0.28 0.00 -0.00 0.00 0.00 177.93 179.22 1rxs h ALA 2241N 0.75 0.92 -0.31 2.45 0.00 -1.92 -2.29 119.26 118.86 1rxs h ALA 2241Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rxs h ALA 2241Cb 0.82 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1rxs h ALA 2241CO 0.07 0.54 0.18 0.28 0.00 0.00 0.00 179.25 180.32 1rxs h VAL 2242N 1.01 1.11 -0.84 0.00 2.07 -1.96 -0.21 116.25 117.44 1rxs h VAL 2242Ca 0.24 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1rxs h VAL 2242Cb 0.21 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1rxs h VAL 2242CO -0.02 0.11 0.45 0.11 0.02 0.00 0.00 177.57 178.25 1rxs h LYS 2243N 0.40 0.68 -0.20 1.57 1.57 -1.42 -2.24 116.57 116.92 1rxs h LYS 2243Ca 0.11 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1rxs h LYS 2243Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1rxs h LYS 2243CO -0.02 0.45 -0.11 0.82 -0.57 0.00 0.00 179.45 180.02 1rxs h ILE 2244N 0.70 1.31 -0.85 1.86 2.04 -0.77 -1.91 117.51 119.89 1rxs h ILE 2244Ca 0.43 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1rxs h ILE 2244Cb 0.52 1.65 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1rxs h ILE 2244CO -0.31 0.36 0.48 1.62 0.00 0.00 0.00 178.15 180.30 1rxs h VAL 2245N 0.13 1.24 -0.39 1.67 3.04 -0.78 0.11 116.25 121.27 1rxs h VAL 2245Ca 0.04 -0.58 -0.09 0.00 -1.01 0.00 0.00 66.70 65.07 1rxs h VAL 2245Cb 0.60 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 1rxs h VAL 2245CO 0.03 0.27 -0.09 0.58 -1.01 0.00 0.00 177.57 177.34 1rxs h VAL 2246N 1.18 1.28 -0.47 1.51 2.07 -1.35 -0.13 116.25 120.33 1rxs h VAL 2246Ca 0.30 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 1rxs h VAL 2246Cb -0.00 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1rxs h VAL 2246CO -0.05 0.39 -0.05 -0.08 0.02 0.00 0.00 177.57 177.80 1rxs h GLU 2247N 0.56 0.82 -0.52 1.57 4.57 -0.94 -1.90 114.58 118.74 1rxs h GLU 2247Ca 0.10 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.96 1rxs h GLU 2247Cb 0.61 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1rxs h GLU 2247CO 0.04 0.85 0.05 0.00 -1.18 0.00 0.00 179.01 178.77 1rxs h ALA 2248N 1.19 0.70 -0.80 2.92 0.00 -0.50 -2.66 119.26 120.10 1rxs h ALA 2248Ca 0.14 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1rxs h ALA 2248Cb 0.52 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1rxs h ALA 2248CO 0.03 0.47 0.45 0.00 0.00 0.00 0.00 179.25 180.20 1rxs h ALA 2249N 0.97 1.12 -0.73 0.00 0.00 -0.67 -0.86 119.26 119.10 1rxs h ALA 2249Ca 0.15 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1rxs h ALA 2249Cb 0.45 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1rxs h ALA 2249CO 0.02 0.09 0.32 -0.09 0.00 0.00 0.00 179.25 179.59 1rxs h ARG 2250N 0.78 0.49 0.00 0.00 2.43 -1.02 -1.03 114.38 116.03 1rxs h ARG 2250Ca 0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1rxs h ARG 2250Cb 0.33 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1rxs h ARG 2250CO -0.24 0.32 0.00 0.00 -1.51 0.00 0.00 179.97 178.55 1rxs h ARG 2251N 0.50 0.00 -0.03 0.20 3.08 -0.93 -3.16 114.38 114.03 1rxs h ARG 2251Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1rxs h ARG 2251Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1rxs h ARG 2251CO -0.35 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.83 1rxs n LEU 2252N -2.59 2.62 0.00 3.04 4.77 -0.42 -5.07 117.00 119.35 1rxs n LEU 2252Ca 0.04 -0.88 0.12 0.00 -0.03 0.00 0.00 56.01 55.25 1rxs n LEU 2252Cb 0.39 -0.01 0.70 0.00 -2.33 0.00 0.00 43.42 42.18 1rxs n LEU 2252CO 0.28 0.44 0.88 0.18 -1.33 0.00 0.00 177.39 177.85