#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pga n SER 2004N 0.00 2.95 0.04 3.14 2.88 -1.26 -4.74 113.62 116.63 2pga n SER 2004Ca 0.00 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.79 2pga n SER 2004Cb 0.00 -1.55 0.24 0.00 -0.75 0.00 0.00 64.21 62.16 2pga n SER 2004CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2pga n ASP 2005N 0.13 0.60 -4.31 -3.46 8.00 0.62 -4.94 116.55 113.19 2pga n ASP 2005Ca 0.05 0.08 -0.18 0.00 0.71 0.00 0.00 54.79 55.46 2pga n ASP 2005Cb 0.40 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.47 2pga n ASP 2005CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2pga s VAL 2006N -3.10 1.56 0.23 2.53 -7.23 -1.23 -5.06 120.40 108.09 2pga s VAL 2006Ca 0.08 -2.10 0.09 0.00 -1.81 0.00 0.00 61.98 58.24 2pga s VAL 2006Cb 0.15 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.09 2pga s VAL 2006CO 0.69 -0.59 1.52 0.15 -0.31 0.00 0.00 175.10 176.56 2pga h PHE 2007N 2.77 0.03 0.00 2.82 3.57 -1.95 -3.38 116.94 120.80 2pga h PHE 2007Ca -0.38 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 60.98 2pga h PHE 2007Cb 1.21 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 2pga h PHE 2007CO 0.69 0.73 -1.48 0.72 -2.23 0.00 0.00 178.31 176.74 2pga n HIS 2008N -3.70 0.00 0.59 0.41 8.25 -1.26 -4.77 115.22 114.74 2pga n HIS 2008Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2pga n HIS 2008Cb 0.70 -0.33 0.41 0.00 1.12 0.00 0.00 29.99 31.89 2pga n HIS 2008CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2pga n LEU 2009N -2.66 0.82 -3.75 2.41 4.77 -1.26 -4.76 117.00 112.57 2pga n LEU 2009Ca -0.14 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.17 2pga n LEU 2009Cb 0.67 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2pga n LEU 2009CO 0.10 -0.23 0.08 0.61 -1.33 0.00 0.00 177.39 176.61 2pga n GLY 2010N 1.15 -0.43 3.35 -0.72 0.00 -1.26 -4.73 105.19 102.55 2pga n GLY 2010Ca 0.05 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 2pga n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 2011N -7.02 2.43 0.30 0.99 1.43 -1.26 -4.82 118.68 110.73 2pga s LEU 2011Ca 0.39 -0.86 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2pga s LEU 2011Cb -0.19 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 2pga s LEU 2011CO 0.80 0.00 0.02 0.42 0.23 0.00 0.00 176.35 177.81 2pga s THR 2012N -1.94 3.09 0.28 5.49 -4.23 -1.26 -0.27 115.64 116.80 2pga s THR 2012Ca 0.16 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.74 2pga s THR 2012Cb -0.06 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 71.23 2pga s THR 2012CO 0.07 -0.29 1.89 0.50 -0.54 0.00 0.00 174.62 176.25 2pga h LYS 2013N 1.83 1.11 -0.92 3.99 3.64 -1.95 -1.96 116.57 122.31 2pga h LYS 2013Ca -0.43 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 58.97 2pga h LYS 2013Cb 1.25 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 2pga h LYS 2013CO 0.62 0.74 0.59 -0.97 -2.27 0.00 0.00 179.45 178.16 2pga h ASN 2014N 1.15 0.85 -0.73 4.20 -1.24 -1.95 -1.06 115.58 116.79 2pga h ASN 2014Ca 0.42 0.02 0.17 0.00 0.71 0.00 0.00 56.30 57.62 2pga h ASN 2014Cb 0.16 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 2pga h ASN 2014CO -0.16 0.51 0.50 0.44 -1.29 0.00 0.00 177.43 177.43 2pga h ASP 2015N 0.95 0.26 1.63 1.15 3.45 -1.75 -1.43 116.42 120.68 2pga h ASP 2015Ca 0.42 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.90 2pga h ASP 2015Cb 0.37 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 2pga h ASP 2015CO -0.18 0.13 0.00 -0.07 -1.57 0.00 0.00 179.24 177.54 2pga h LEU 2016N 0.27 0.00 -1.06 1.55 4.07 -1.26 -3.47 115.31 115.41 2pga h LEU 2016Ca 0.36 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.85 2pga h LEU 2016Cb 1.02 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2pga h LEU 2016CO -0.09 0.00 -0.76 0.00 -1.08 0.00 0.00 178.44 176.51 2pga n GLN 2017N -3.05 -5.57 -0.91 1.13 1.13 -0.54 -1.36 117.38 108.21 2pga n GLN 2017Ca 0.03 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.70 2pga n GLN 2017Cb 0.45 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 25.33 2pga n GLN 2017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pga n GLY 2018N -1.70 0.75 3.74 1.08 0.00 -1.26 -4.65 105.19 103.15 2pga n GLY 2018Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2pga n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga n ALA 2019N 0.74 2.11 -0.09 4.61 0.00 -0.46 -4.88 120.51 122.53 2pga n ALA 2019Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2pga n ALA 2019Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2pga n ALA 2019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pga n GLN 2020N 1.09 1.32 -4.83 0.00 6.02 -1.26 -4.28 117.38 115.42 2pga n GLN 2020Ca 0.05 -0.30 -0.26 0.00 -0.01 0.00 0.00 57.00 56.48 2pga n GLN 2020Cb 0.37 -0.78 -0.16 0.00 1.02 0.00 0.00 30.24 30.69 2pga n GLN 2020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2pga s LEU 2021N -0.55 1.93 -0.05 1.08 0.20 -1.26 -0.40 118.68 119.63 2pga s LEU 2021Ca 0.00 -0.35 0.04 0.00 0.69 0.00 0.00 54.13 54.51 2pga s LEU 2021Cb 0.00 -0.96 0.00 0.00 -0.43 0.00 0.00 46.19 44.80 2pga s LEU 2021CO 0.00 0.16 -0.17 0.00 -0.29 0.00 0.00 176.35 176.05 2pga s ALA 2022N -0.02 1.56 -0.13 5.97 0.00 -0.01 -1.13 121.76 128.01 2pga s ALA 2022Ca -0.03 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2pga s ALA 2022Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2pga s ALA 2022CO 0.02 0.25 0.52 0.42 0.00 0.00 0.00 175.76 176.96 2pga s ILE 2023N 0.20 5.15 -0.53 0.00 1.01 0.17 -0.94 121.20 126.27 2pga s ILE 2023Ca -0.08 1.02 0.04 0.00 0.00 0.00 0.00 60.65 61.63 2pga s ILE 2023Cb -0.13 -3.85 0.15 0.00 0.01 0.00 0.00 42.46 38.63 2pga s ILE 2023CO 0.03 0.29 0.32 0.68 0.00 0.00 0.00 174.94 176.26 2pga s VAL 2024N 0.85 2.06 0.87 2.92 -7.23 0.70 -1.66 120.40 118.91 2pga s VAL 2024Ca 0.27 -3.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.08 2pga s VAL 2024Cb -0.15 -2.41 0.11 0.00 0.56 0.00 0.00 36.38 34.49 2pga s VAL 2024CO 0.11 -0.92 1.11 -2.16 -0.31 0.00 0.00 175.10 172.92 2pga s PRO 2025N -0.34 1.46 0.01 4.82 0.04 -1.23 -3.64 135.00 136.12 2pga s PRO 2025Ca 0.21 0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.64 2pga s PRO 2025Cb -0.17 -1.85 -0.35 0.00 0.04 0.00 0.00 34.50 32.17 2pga s PRO 2025CO -0.06 -2.04 0.94 0.78 0.04 0.00 0.00 177.00 176.67 2pga h GLY 2026N -1.39 0.58 -6.43 0.56 0.00 -1.84 -0.95 103.07 93.60 2pga h GLY 2026Ca -0.49 -1.49 -0.60 0.00 0.00 0.00 0.00 47.33 44.74 2pga h GLY 2026CO 0.59 1.30 -0.11 -0.35 0.00 0.00 0.00 176.54 177.97 2pga s ASP 2027N -7.51 6.48 0.41 0.19 -1.08 -1.26 -0.84 116.67 113.06 2pga s ASP 2027Ca -0.10 0.57 0.15 0.00 -0.52 0.00 0.00 52.55 52.64 2pga s ASP 2027Cb 0.04 -2.26 1.02 0.00 -1.46 0.00 0.00 42.92 40.25 2pga s ASP 2027CO 0.93 -0.15 1.90 -0.65 0.52 0.00 0.00 175.17 177.71 2pga h PRO 2028N 7.54 0.45 0.00 4.34 0.11 -1.89 -1.52 132.00 141.03 2pga h PRO 2028Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2pga h PRO 2028Cb 1.16 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pga h PRO 2028CO 0.72 0.30 0.00 0.39 -0.21 0.00 0.00 178.00 179.20 2pga n GLU 2029N -4.50 0.05 0.00 1.05 -0.58 -1.26 -1.91 120.64 113.50 2pga n GLU 2029Ca 0.16 0.36 0.10 0.00 -0.42 0.00 0.00 57.16 57.36 2pga n GLU 2029Cb 0.55 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 2pga n GLU 2029CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2pga n ARG 2030N -1.72 1.01 -0.06 3.49 5.12 -0.57 -4.60 116.66 119.33 2pga n ARG 2030Ca 0.02 -0.71 -0.12 0.00 -1.93 0.00 0.00 57.85 55.11 2pga n ARG 2030Cb 0.15 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 29.93 2pga n ARG 2030CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2pga h VAL 2031N 1.71 1.29 -0.72 1.55 2.07 -1.45 -2.52 116.25 118.18 2pga h VAL 2031Ca 0.00 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 2pga h VAL 2031Cb 0.66 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2pga h VAL 2031CO 0.00 0.30 0.18 -0.08 0.02 0.00 0.00 177.57 177.98 2pga h GLU 2032N 0.03 1.15 -0.87 1.57 4.81 -1.81 -1.57 114.58 117.88 2pga h GLU 2032Ca 0.04 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2pga h GLU 2032Cb 0.47 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2pga h GLU 2032CO 0.02 1.01 0.56 0.87 -0.73 0.00 0.00 179.01 180.73 2pga h LYS 2033N 1.09 1.04 0.22 1.92 1.57 -1.80 0.30 116.57 120.91 2pga h LYS 2033Ca 0.23 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2pga h LYS 2033Cb 0.37 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2pga h LYS 2033CO 0.00 0.69 -0.10 0.82 -0.57 0.00 0.00 179.45 180.29 2pga h ILE 2034N 1.07 0.86 -0.29 1.86 2.04 -1.30 -3.13 117.51 118.63 2pga h ILE 2034Ca 0.35 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.62 2pga h ILE 2034Cb 0.03 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2pga h ILE 2034CO -0.12 0.14 0.23 0.00 0.00 0.00 0.00 178.15 178.40 2pga h ALA 2035N 0.02 2.18 0.00 1.87 0.00 -0.86 -0.37 119.26 122.10 2pga h ALA 2035Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pga h ALA 2035Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pga h ALA 2035CO 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2pga n ALA 2036N -2.53 1.63 0.91 0.00 0.00 0.10 -1.21 120.51 119.42 2pga n ALA 2036Ca 0.04 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.70 2pga n ALA 2036Cb 0.39 -1.38 0.57 0.00 0.00 0.00 0.00 19.45 19.03 2pga n ALA 2036CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pga n LEU 2037N -2.22 0.18 -4.88 0.00 4.77 -0.15 -4.88 117.00 109.82 2pga n LEU 2037Ca 0.02 0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 2pga n LEU 2037Cb 0.22 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2pga n LEU 2037CO 0.19 -0.04 0.00 -0.04 -1.33 0.00 0.00 177.39 176.17 2pga s MET 2038N -3.02 2.24 0.40 3.23 -1.94 -0.35 -5.12 119.30 114.74 2pga s MET 2038Ca 0.13 -2.12 -0.18 0.00 -1.71 0.00 0.00 55.69 51.81 2pga s MET 2038Cb 0.17 -1.98 -0.10 0.00 2.01 0.00 0.00 34.83 34.94 2pga s MET 2038CO 0.54 -0.61 0.87 -0.51 -0.01 0.00 0.00 175.02 175.30 2pga s ASP 2039N -4.22 6.83 -1.30 3.03 1.01 -0.13 -4.41 116.67 117.47 2pga s ASP 2039Ca 0.27 1.50 -0.20 0.00 0.71 0.00 0.00 52.55 54.84 2pga s ASP 2039Cb -0.02 -2.47 0.02 0.00 1.01 0.00 0.00 42.92 41.47 2pga s ASP 2039CO 0.17 -0.33 0.52 0.29 0.21 0.00 0.00 175.17 176.03 2pga n LYS 2040N -0.67 -1.02 -2.39 8.23 5.02 -1.26 -0.58 118.16 125.48 2pga n LYS 2040Ca 0.05 0.20 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 2pga n LYS 2040Cb 0.54 -3.35 -0.03 0.00 -0.02 0.00 0.00 35.03 32.16 2pga n LYS 2040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pga s PRO 2041N -7.02 4.45 0.01 1.97 0.04 -1.26 -4.40 135.00 128.78 2pga s PRO 2041Ca 0.31 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2pga s PRO 2041Cb -0.15 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 2pga s PRO 2041CO 0.95 -0.21 -0.03 0.54 0.04 0.00 0.00 177.00 178.29 2pga s VAL 2042N 0.72 0.16 0.07 -0.36 0.11 0.60 -4.99 120.40 116.72 2pga s VAL 2042Ca 0.57 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.92 2pga s VAL 2042Cb -0.31 -0.20 -0.06 0.00 -1.53 0.00 0.00 36.38 34.29 2pga s VAL 2042CO 0.31 -0.15 1.16 -0.75 -3.33 0.00 0.00 175.10 172.34 2pga s LYS 2043N -0.58 4.47 -0.20 1.54 2.20 -1.26 -0.64 119.74 125.27 2pga s LYS 2043Ca -0.05 1.72 -0.15 0.00 -0.36 0.00 0.00 55.97 57.13 2pga s LYS 2043Cb -0.04 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.83 2pga s LYS 2043CO -0.00 -0.18 -0.17 1.28 -0.36 0.00 0.00 175.35 175.92 2pga n LEU 2044N 3.67 1.89 -3.63 5.43 4.77 0.22 -4.88 117.00 124.46 2pga n LEU 2044Ca 0.08 0.44 -0.06 0.00 -0.03 0.00 0.00 56.01 56.44 2pga n LEU 2044Cb 0.47 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2pga n LEU 2044CO 0.55 -0.00 0.69 0.00 -1.33 0.00 0.00 177.39 177.30 2pga s ALA 2045N -2.64 -1.73 -0.23 -1.18 0.00 -1.06 -5.00 121.76 109.92 2pga s ALA 2045Ca -0.27 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 2pga s ALA 2045Cb 0.06 0.55 0.12 0.00 0.00 0.00 0.00 23.12 23.86 2pga s ALA 2045CO 0.42 -0.88 0.36 0.45 0.00 0.00 0.00 175.76 176.12 2pga s SER 2046N -2.73 0.31 -0.07 0.00 0.15 -1.26 -0.87 113.70 109.23 2pga s SER 2046Ca 0.09 0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 2pga s SER 2046Cb -0.01 1.05 0.03 0.00 -1.71 0.00 0.00 66.02 65.38 2pga s SER 2046CO -0.03 -0.29 0.16 -1.00 1.20 0.00 0.00 173.24 173.27 2pga s HIS 2047N 2.53 -0.19 0.00 3.44 3.76 -0.90 -4.99 115.29 118.93 2pga s HIS 2047Ca 0.11 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 2pga s HIS 2047Cb -0.15 -0.02 0.00 0.00 1.11 0.00 0.00 32.58 33.52 2pga s HIS 2047CO -0.15 -0.15 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 2pga n ARG 2048N 3.83 0.00 -0.37 1.40 5.12 -1.26 -0.68 116.66 124.69 2pga n ARG 2048Ca -0.22 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.76 2pga n ARG 2048Cb 0.54 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 32.07 2pga n ARG 2048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2pga n GLU 2049N 14.00 2.64 -3.52 5.56 0.00 -1.26 -4.74 120.64 133.33 2pga n GLU 2049Ca 0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 57.16 54.95 2pga n GLU 2049Cb 0.00 -1.62 -0.06 0.00 0.00 0.00 0.00 31.44 29.77 2pga n GLU 2049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pga s PHE 2050N -1.68 3.61 -0.23 -1.84 0.40 0.14 -3.82 117.98 114.57 2pga s PHE 2050Ca 0.32 -2.39 -0.11 0.00 -0.60 0.00 0.00 56.93 54.16 2pga s PHE 2050Cb 0.20 -3.51 -0.05 0.00 0.51 0.00 0.00 43.02 40.17 2pga s PHE 2050CO 0.16 -0.91 0.18 0.99 0.70 0.00 0.00 175.22 176.34 2pga s THR 2051N -0.06 5.35 -0.03 0.64 2.01 -1.26 -2.13 115.64 120.17 2pga s THR 2051Ca 0.18 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.48 2pga s THR 2051Cb -0.15 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2pga s THR 2051CO -0.06 0.35 -0.25 -0.94 -0.69 0.00 0.00 174.62 173.02 2pga s SER 2052N 0.97 2.99 0.09 3.53 1.04 -0.05 -1.74 113.70 120.53 2pga s SER 2052Ca 0.09 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2pga s SER 2052Cb -0.13 -0.49 -0.03 0.00 0.10 0.00 0.00 66.02 65.47 2pga s SER 2052CO 0.04 0.29 -0.18 0.26 0.98 0.00 0.00 173.24 174.63 2pga s TRP 2053N -0.46 1.54 0.04 5.02 0.52 0.51 -0.61 118.94 125.50 2pga s TRP 2053Ca 0.06 -0.45 0.03 0.00 0.02 0.00 0.00 56.10 55.76 2pga s TRP 2053Cb -0.11 -0.84 -0.04 0.00 -1.15 0.00 0.00 33.47 31.33 2pga s TRP 2053CO 0.00 0.15 0.00 0.50 0.02 0.00 0.00 176.95 177.63 2pga s ARG 2054N -1.95 2.69 0.06 4.98 3.52 0.19 -0.96 118.95 127.48 2pga s ARG 2054Ca 0.04 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 2pga s ARG 2054Cb -0.09 -2.62 -0.00 0.00 -1.56 0.00 0.00 34.95 30.68 2pga s ARG 2054CO 0.03 0.59 0.07 0.00 -0.81 0.00 0.00 175.30 175.18 2pga n ALA 2055N 1.00 -0.01 -3.39 6.12 0.00 -0.07 -0.29 120.51 123.87 2pga n ALA 2055Ca -0.13 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 2pga n ALA 2055Cb 0.52 0.23 -0.15 0.00 0.00 0.00 0.00 19.45 20.05 2pga n ALA 2055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pga s GLU 2056N -2.16 0.11 -0.15 0.00 2.12 0.25 -0.79 118.70 118.08 2pga s GLU 2056Ca 0.05 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.44 2pga s GLU 2056Cb -0.00 -0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.18 2pga s GLU 2056CO 0.04 -0.08 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.46 2pga s LEU 2057N 0.62 1.39 -1.67 2.70 2.96 0.18 -0.96 118.68 123.90 2pga s LEU 2057Ca -0.06 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.15 2pga s LEU 2057Cb -0.08 -0.82 0.13 0.00 0.50 0.00 0.00 46.19 45.92 2pga s LEU 2057CO -0.01 -0.19 0.70 0.47 -1.32 0.00 0.00 176.35 176.00 2pga n ASP 2058N 4.93 -2.64 0.00 3.68 8.00 -1.26 -0.99 116.55 128.27 2pga n ASP 2058Ca -0.11 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.36 2pga n ASP 2058Cb 0.48 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 2pga n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pga n GLY 2059N -1.51 1.22 3.65 0.44 0.00 -1.26 -5.04 105.19 102.69 2pga n GLY 2059Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2pga n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pga s LYS 2060N -0.62 3.27 0.28 1.61 1.02 -0.17 -5.08 119.74 120.05 2pga s LYS 2060Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 2pga s LYS 2060Cb 0.00 -2.89 -0.10 0.00 -0.52 0.00 0.00 37.83 34.32 2pga s LYS 2060CO 0.00 0.56 1.32 0.00 -0.92 0.00 0.00 175.35 176.30 2pga s ALA 2061N -0.48 3.52 0.07 5.17 0.00 -1.26 0.49 121.76 129.26 2pga s ALA 2061Ca 0.09 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2pga s ALA 2061Cb -0.12 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2pga s ALA 2061CO 0.02 -0.60 -0.13 0.14 0.00 0.00 0.00 175.76 175.20 2pga s VAL 2062N -0.64 0.99 -0.03 0.00 -7.23 0.03 -4.17 120.40 109.36 2pga s VAL 2062Ca 0.52 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.42 2pga s VAL 2062Cb -0.39 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2pga s VAL 2062CO 0.47 -0.27 0.03 -0.63 -0.31 0.00 0.00 175.10 174.39 2pga s ILE 2063N -1.33 4.39 -0.15 -0.62 -1.09 -0.28 -0.90 121.20 121.22 2pga s ILE 2063Ca -0.03 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 2pga s ILE 2063Cb -0.10 -2.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2pga s ILE 2063CO 0.02 0.43 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.31 2pga s VAL 2064N -1.07 1.71 -0.04 2.92 1.01 -0.13 -0.66 120.40 124.14 2pga s VAL 2064Ca 0.19 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2pga s VAL 2064Cb -0.12 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.72 2pga s VAL 2064CO 0.09 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.76 2pga s SER 2066N 0.88 6.77 -0.02 0.00 1.04 -0.71 -3.55 113.70 118.10 2pga s SER 2066Ca -0.07 1.57 0.17 0.00 0.48 0.00 0.00 55.95 58.09 2pga s SER 2066Cb -0.10 -2.50 -0.25 0.00 0.10 0.00 0.00 66.02 63.27 2pga s SER 2066CO -0.04 -0.44 0.37 0.35 0.98 0.00 0.00 173.24 174.46 2pga n THR 2067N -1.05 0.00 -1.26 2.02 -2.24 -0.36 -4.40 114.28 106.98 2pga n THR 2067Ca 0.06 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2pga n THR 2067Cb 0.54 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2pga n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pga n GLY 2068N 1.56 -2.23 3.69 3.38 0.00 -0.02 -3.37 105.19 108.20 2pga n GLY 2068Ca -0.03 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 2pga n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 2069N -0.68 5.01 0.00 -0.61 1.01 -1.26 -4.71 121.20 119.97 2pga s ILE 2069Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.03 2pga s ILE 2069Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2pga s ILE 2069CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2pga n GLY 2070N 3.39 2.05 0.32 6.18 0.00 -1.26 -4.56 105.19 111.30 2pga n GLY 2070Ca -0.00 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.19 2pga n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pga h GLY 2071N 0.00 1.33 1.00 -0.02 0.00 -1.84 -2.53 103.07 101.01 2pga h GLY 2071Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2pga h GLY 2071CO 0.00 0.19 0.14 -2.55 0.00 0.00 0.00 176.54 174.32 2pga h PRO 2072N 0.89 0.28 -0.55 4.80 0.11 -1.94 0.15 132.00 135.74 2pga h PRO 2072Ca 0.40 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.40 2pga h PRO 2072Cb 0.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 2pga h PRO 2072CO -0.22 0.19 -0.05 0.66 -0.21 0.00 0.00 178.00 178.37 2pga h SER 2073N 0.29 0.96 -0.45 -2.05 4.64 -1.79 -2.90 113.55 112.25 2pga h SER 2073Ca 0.08 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2pga h SER 2073Cb -0.03 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 2pga h SER 2073CO -0.02 1.05 0.28 0.74 -0.87 0.00 0.00 176.83 178.01 2pga h THR 2074N 0.89 1.13 -0.25 2.95 2.02 -1.12 -1.97 112.91 116.56 2pga h THR 2074Ca 0.15 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2pga h THR 2074Cb 0.59 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2pga h THR 2074CO 0.04 0.13 0.15 0.77 0.37 0.00 0.00 175.52 176.98 2pga h SER 2075N 0.60 0.29 -0.00 4.18 4.64 -0.60 0.14 113.55 122.80 2pga h SER 2075Ca 0.16 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2pga h SER 2075Cb -0.03 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2pga h SER 2075CO -0.03 0.21 -0.00 0.40 -0.87 0.00 0.00 176.83 176.54 2pga h ILE 2076N 0.33 1.42 -0.48 0.95 2.04 -1.23 -1.68 117.51 118.86 2pga h ILE 2076Ca 0.09 -1.24 0.02 0.00 1.00 0.00 0.00 64.86 64.73 2pga h ILE 2076Cb -0.02 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2pga h ILE 2076CO -0.02 0.32 0.28 0.00 0.00 0.00 0.00 178.15 178.74 2pga h ALA 2077N 0.47 0.61 -0.02 1.87 0.00 -0.90 -1.62 119.26 119.67 2pga h ALA 2077Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pga h ALA 2077Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2pga h ALA 2077CO 0.00 -0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.50 2pga h VAL 2078N 0.56 1.23 -0.39 0.00 2.07 -0.78 -0.50 116.25 118.44 2pga h VAL 2078Ca 0.19 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2pga h VAL 2078Cb 0.02 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2pga h VAL 2078CO -0.09 0.18 0.08 -0.08 0.02 0.00 0.00 177.57 177.68 2pga h GLU 2079N -0.24 0.21 -0.17 1.57 4.57 -1.24 0.45 114.58 119.73 2pga h GLU 2079Ca 0.01 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 2pga h GLU 2079Cb 0.29 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2pga h GLU 2079CO 0.00 0.14 -0.58 0.93 -1.18 0.00 0.00 179.01 178.32 2pga h GLU 2080N 0.21 0.54 -0.65 1.92 5.08 -1.24 -0.70 114.58 119.75 2pga h GLU 2080Ca 0.19 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2pga h GLU 2080Cb 0.22 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2pga h GLU 2080CO -0.24 0.97 0.28 -0.07 -1.00 0.00 0.00 179.01 178.94 2pga h LEU 2081N 0.41 0.85 -0.72 1.33 3.38 -0.92 -1.88 115.31 117.76 2pga h LEU 2081Ca 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2pga h LEU 2081Cb 1.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2pga h LEU 2081CO 0.11 0.75 0.29 0.00 0.09 0.00 0.00 178.44 179.67 2pga h ALA 2082N 1.38 0.94 -0.30 1.53 0.00 -0.33 -1.03 119.26 121.45 2pga h ALA 2082Ca 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pga h ALA 2082Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pga h ALA 2082CO -0.02 0.56 0.18 1.96 0.00 0.00 0.00 179.25 181.93 2pga h GLN 2083N 1.04 0.40 -0.00 0.00 4.20 -0.75 -1.72 115.11 118.27 2pga h GLN 2083Ca 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2pga h GLN 2083Cb 0.21 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2pga h GLN 2083CO -0.02 0.28 -0.14 1.28 -0.67 0.00 0.00 178.83 179.56 2pga n LEU 2084N -4.48 0.19 0.00 1.46 4.32 -0.74 -4.91 117.00 112.84 2pga n LEU 2084Ca 0.01 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 2pga n LEU 2084Cb 0.08 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 2pga n LEU 2084CO 0.35 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 2pga n GLY 2085N 1.45 1.10 3.74 -0.72 0.00 -0.65 -4.80 105.19 105.31 2pga n GLY 2085Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2pga n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pga s ILE 2086N -2.00 3.27 0.00 -0.61 -1.09 -0.46 -4.54 121.20 115.77 2pga s ILE 2086Ca 0.00 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 2pga s ILE 2086Cb 0.00 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2pga s ILE 2086CO 0.00 0.16 0.00 0.54 -1.23 0.00 0.00 174.94 174.41 2pga n ARG 2087N 2.64 6.01 -4.21 2.79 5.12 0.47 -4.24 116.66 125.23 2pga n ARG 2087Ca 0.06 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.76 2pga n ARG 2087Cb 0.43 -0.44 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 2pga n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2pga s THR 2088N -0.88 0.73 -0.11 0.55 2.01 -0.88 -0.80 115.64 116.26 2pga s THR 2088Ca 0.00 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2pga s THR 2088Cb 0.00 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.79 2pga s THR 2088CO 0.00 0.28 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.67 2pga s PHE 2089N 1.03 2.15 -0.25 4.92 0.40 0.14 -0.83 117.98 125.54 2pga s PHE 2089Ca -0.09 -1.00 -0.00 0.00 -0.60 0.00 0.00 56.93 55.24 2pga s PHE 2089Cb -0.14 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 41.91 2pga s PHE 2089CO -0.00 -0.48 -0.08 -0.51 0.70 0.00 0.00 175.22 174.85 2pga s LEU 2090N 0.84 3.23 -0.00 -0.37 1.43 -0.11 -1.51 118.68 122.18 2pga s LEU 2090Ca -0.09 -1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 51.73 2pga s LEU 2090Cb -0.15 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2pga s LEU 2090CO 0.00 -0.15 0.85 -0.60 0.23 0.00 0.00 176.35 176.69 2pga s ARG 2091N 1.27 4.53 -0.06 1.70 6.06 0.00 -0.22 118.95 132.23 2pga s ARG 2091Ca -0.02 1.19 0.04 0.00 -2.50 0.00 0.00 55.73 54.45 2pga s ARG 2091Cb -0.17 -3.43 -0.00 0.00 0.06 0.00 0.00 34.95 31.41 2pga s ARG 2091CO -0.05 0.08 -0.20 -1.50 -2.50 0.00 0.00 175.30 171.13 2pga s ILE 2092N 0.64 1.68 0.27 4.11 1.10 -1.24 -1.39 121.20 126.36 2pga s ILE 2092Ca 0.44 -0.84 -0.11 0.00 -0.51 0.00 0.00 60.65 59.64 2pga s ILE 2092Cb -0.20 -1.44 0.00 0.00 0.15 0.00 0.00 42.46 40.96 2pga s ILE 2092CO 0.24 0.48 0.50 -0.83 -2.11 0.00 0.00 174.94 173.22 2pga s GLY 2093N 0.13 0.69 0.17 1.50 0.00 -0.77 -4.22 107.32 104.82 2pga s GLY 2093Ca -0.08 -0.98 0.09 0.00 0.00 0.00 0.00 44.72 43.75 2pga s GLY 2093CO 0.04 -0.67 -0.12 -0.51 0.00 0.00 0.00 173.10 171.84 2pga s THR 2094N -3.73 3.04 0.14 0.90 -4.23 -1.26 -1.42 115.64 109.08 2pga s THR 2094Ca 0.23 -1.69 -0.17 0.00 -1.18 0.00 0.00 61.69 58.89 2pga s THR 2094Cb -0.01 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.38 2pga s THR 2094CO 0.11 -0.09 0.44 0.28 -0.54 0.00 0.00 174.62 174.82 2pga s THR 2095N -1.64 0.06 0.00 3.99 -1.32 0.27 -4.85 115.64 112.14 2pga s THR 2095Ca 0.24 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 2pga s THR 2095Cb -0.09 -1.25 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 2pga s THR 2095CO 0.14 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 2pga n GLY 2096N -0.26 -0.25 3.16 6.08 0.00 -1.26 -1.15 105.19 111.51 2pga n GLY 2096Ca -0.15 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 2pga n GLY 2096CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 2097N -3.47 -0.06 0.00 4.61 0.00 -0.88 -4.60 121.76 117.35 2pga s ALA 2097Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2pga s ALA 2097Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2pga s ALA 2097CO 0.00 -0.42 0.77 0.44 0.00 0.00 0.00 175.76 176.55 2pga n ILE 2098N 0.28 0.55 -4.30 0.00 -5.35 0.11 -3.66 119.36 107.00 2pga n ILE 2098Ca -0.16 -0.76 -0.34 0.00 -0.27 0.00 0.00 62.75 61.22 2pga n ILE 2098Cb 0.61 0.74 -0.11 0.00 -1.74 0.00 0.00 39.64 39.14 2pga n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pga s GLN 2099N -0.55 3.62 0.50 6.28 -1.52 -1.24 -4.87 119.66 121.88 2pga s GLN 2099Ca 0.00 -0.46 0.21 0.00 -1.95 0.00 0.00 55.36 53.17 2pga s GLN 2099Cb 0.00 -2.97 1.30 0.00 -0.22 0.00 0.00 33.01 31.12 2pga s GLN 2099CO 0.00 0.34 2.07 -1.35 -0.25 0.00 0.00 175.29 176.09 2pga h PRO 2100N 6.41 0.00 0.00 2.91 0.11 -1.95 -1.71 132.00 137.77 2pga h PRO 2100Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2pga h PRO 2100Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pga h PRO 2100CO 0.63 0.12 0.00 -2.39 -0.21 0.00 0.00 178.00 176.16 2pga n HIS 2101N -4.03 0.00 -3.41 0.65 1.44 -1.26 -4.64 115.22 103.97 2pga n HIS 2101Ca -0.02 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.28 2pga n HIS 2101Cb 0.21 -0.39 -0.09 0.00 0.12 0.00 0.00 29.99 29.84 2pga n HIS 2101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2pga s ILE 2102N -2.78 5.17 0.22 0.61 1.01 -0.65 -5.07 121.20 119.71 2pga s ILE 2102Ca 0.21 0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.05 2pga s ILE 2102Cb 0.19 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2pga s ILE 2102CO 0.48 -0.04 0.14 0.20 0.00 0.00 0.00 174.94 175.72 2pga s ASN 2103N 1.72 5.38 0.23 3.58 0.01 -1.26 -4.86 114.94 119.74 2pga s ASN 2103Ca 0.12 -0.25 -0.31 0.00 -0.71 0.00 0.00 52.86 51.70 2pga s ASN 2103Cb -0.16 -1.34 -0.14 0.00 0.41 0.00 0.00 41.25 40.02 2pga s ASN 2103CO 0.11 0.01 1.40 0.52 -1.51 0.00 0.00 177.10 177.63 2pga n VAL 2104N -0.79 0.89 0.00 1.60 0.31 -1.26 -1.86 118.33 117.22 2pga n VAL 2104Ca -0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2pga n VAL 2104Cb 0.57 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2pga n VAL 2104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pga n GLY 2105N 2.21 2.52 3.77 2.92 0.00 0.13 -4.98 105.19 111.75 2pga n GLY 2105Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2pga n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pga s ASP 2106N -0.60 4.50 0.03 1.61 -0.00 -0.78 -4.73 116.67 116.69 2pga s ASP 2106Ca 0.00 1.64 0.08 0.00 -0.00 0.00 0.00 52.55 54.28 2pga s ASP 2106Cb 0.00 -2.38 -0.03 0.00 -0.00 0.00 0.00 42.92 40.51 2pga s ASP 2106CO 0.00 -2.01 -0.24 0.54 -0.00 0.00 0.00 175.17 173.46 2pga s VAL 2107N -2.97 2.32 -0.15 -1.27 0.11 -0.30 -0.15 120.40 117.98 2pga s VAL 2107Ca 0.61 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 2pga s VAL 2107Cb -0.16 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 32.78 2pga s VAL 2107CO 0.56 0.40 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.83 2pga s LEU 2108N -1.16 2.57 -0.19 2.54 1.43 0.12 -0.71 118.68 123.28 2pga s LEU 2108Ca 0.12 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 2pga s LEU 2108Cb -0.10 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2pga s LEU 2108CO 0.02 0.11 0.00 -0.69 0.23 0.00 0.00 176.35 176.02 2pga s VAL 2109N 0.68 4.05 -0.25 -1.59 1.01 0.11 -0.97 120.40 123.43 2pga s VAL 2109Ca -0.07 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2pga s VAL 2109Cb -0.16 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2pga s VAL 2109CO 0.02 0.44 0.41 -0.89 0.00 0.00 0.00 175.10 175.08 2pga s THR 2110N 0.86 5.15 0.07 3.92 2.01 -0.84 -1.70 115.64 125.10 2pga s THR 2110Ca 0.01 0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.70 2pga s THR 2110Cb -0.14 -3.74 -0.25 0.00 0.01 0.00 0.00 72.50 68.38 2pga s THR 2110CO 0.02 0.16 1.11 0.71 -0.69 0.00 0.00 174.62 175.93 2pga h THR 2111N 5.32 1.48 -2.26 -0.82 1.35 -1.55 -3.40 112.91 113.03 2pga h THR 2111Ca -0.32 -3.12 0.12 0.00 -0.55 0.00 0.00 66.41 62.54 2pga h THR 2111Cb 1.16 2.85 -0.14 0.00 -1.73 0.00 0.00 68.15 70.28 2pga h THR 2111CO 0.68 0.89 0.51 0.00 -0.25 0.00 0.00 175.52 177.34 2pga s ALA 2112N -2.66 -1.81 0.05 6.62 0.00 -1.26 -0.85 121.76 121.85 2pga s ALA 2112Ca -0.03 0.92 0.08 0.00 0.00 0.00 0.00 51.96 52.93 2pga s ALA 2112Cb 0.08 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 2pga s ALA 2112CO 0.85 -0.73 -0.22 -1.12 0.00 0.00 0.00 175.76 174.55 2pga s SER 2113N -2.53 2.60 0.03 0.00 0.01 0.11 -2.23 113.70 111.69 2pga s SER 2113Ca 0.06 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 2pga s SER 2113Cb -0.01 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 2pga s SER 2113CO -0.08 0.17 1.42 -0.69 0.41 0.00 0.00 173.24 174.47 2pga s VAL 2114N -0.83 3.56 -1.14 3.43 1.01 0.63 -4.34 120.40 122.72 2pga s VAL 2114Ca 0.08 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 2pga s VAL 2114Cb -0.09 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.78 2pga s VAL 2114CO 0.02 0.02 1.40 -0.13 0.00 0.00 0.00 175.10 176.40 2pga s ARG 2115N 2.10 3.92 -0.45 2.72 0.52 -1.26 -1.59 118.95 124.91 2pga s ARG 2115Ca 0.65 -2.21 0.04 0.00 -0.52 0.00 0.00 55.73 53.69 2pga s ARG 2115Cb -0.33 -5.11 0.63 0.00 0.52 0.00 0.00 34.95 30.66 2pga s ARG 2115CO 0.28 -1.86 1.87 1.28 0.02 0.00 0.00 175.30 176.90 2pga n LEU 2116N 6.42 6.53 -4.82 2.53 4.77 -0.29 -4.94 117.00 127.21 2pga n LEU 2116Ca 0.35 -3.70 -0.32 0.00 -0.03 0.00 0.00 56.01 52.31 2pga n LEU 2116Cb 0.45 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 2pga n LEU 2116CO 0.61 1.12 -0.16 1.51 -1.33 0.00 0.00 177.39 179.15 2pga s ASP 2117N -1.51 4.30 -0.10 -1.43 3.84 -1.20 -1.69 116.67 118.89 2pga s ASP 2117Ca 0.56 -1.57 0.09 0.00 -0.00 0.00 0.00 52.55 51.63 2pga s ASP 2117Cb 0.47 0.60 -0.12 0.00 -1.38 0.00 0.00 42.92 42.49 2pga s ASP 2117CO 0.09 -0.98 0.04 0.61 -0.00 0.00 0.00 175.17 174.92 2pga n GLY 2118N -1.45 -0.49 0.21 2.12 0.00 -1.26 -4.72 105.19 99.59 2pga n GLY 2118Ca -0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 2pga n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga h ALA 2119N 0.50 1.21 -0.51 4.61 0.00 -1.98 -2.49 119.26 120.60 2pga h ALA 2119Ca -0.27 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.32 2pga h ALA 2119Cb 1.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2pga h ALA 2119CO 0.01 0.53 0.34 0.66 0.00 0.00 0.00 179.25 180.80 2pga h SER 2120N 0.21 0.49 0.45 0.00 4.64 -1.85 -0.21 113.55 117.27 2pga h SER 2120Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2pga h SER 2120Cb 0.71 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2pga h SER 2120CO 0.05 0.33 0.00 0.18 -0.87 0.00 0.00 176.83 176.53 2pga n LEU 2121N -4.47 0.64 -0.12 5.97 4.77 -0.94 -1.22 117.00 121.64 2pga n LEU 2121Ca 0.06 0.71 0.14 0.00 -0.03 0.00 0.00 56.01 56.89 2pga n LEU 2121Cb 0.16 -0.68 0.63 0.00 -2.33 0.00 0.00 43.42 41.20 2pga n LEU 2121CO 0.35 -0.72 0.89 1.41 -1.33 0.00 0.00 177.39 177.98 2pga n HIS 2122N -2.26 0.00 -0.01 -1.77 8.25 -0.09 -4.06 115.22 115.27 2pga n HIS 2122Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2pga n HIS 2122Cb 0.15 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 2pga n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pga n PHE 2123N -0.92 0.00 -3.69 4.41 3.01 -0.35 -5.08 117.46 114.83 2pga n PHE 2123Ca 0.15 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.47 2pga n PHE 2123Cb 0.27 -0.10 -0.08 0.00 -0.01 0.00 0.00 39.48 39.55 2pga n PHE 2123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pga s ALA 2124N -2.05 -1.19 1.00 4.37 0.00 -0.68 -5.00 121.76 118.20 2pga s ALA 2124Ca -0.02 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2pga s ALA 2124Cb 0.01 -0.36 0.19 0.00 0.00 0.00 0.00 23.12 22.96 2pga s ALA 2124CO 0.07 -0.27 1.08 -1.25 0.00 0.00 0.00 175.76 175.40 2pga s PRO 2125N -0.54 0.37 0.52 0.00 0.04 -1.26 -3.98 135.00 130.15 2pga s PRO 2125Ca -0.07 0.96 0.20 0.00 0.04 0.00 0.00 61.00 62.13 2pga s PRO 2125Cb -0.03 -1.70 1.36 0.00 0.04 0.00 0.00 34.50 34.17 2pga s PRO 2125CO 0.04 -2.89 2.14 1.98 0.04 0.00 0.00 177.00 178.31 2pga h MET 2126N -2.02 0.00 -0.09 4.56 4.05 -1.94 -1.21 114.93 118.27 2pga h MET 2126Ca -0.53 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 58.92 2pga h MET 2126Cb 1.30 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.10 2pga h MET 2126CO 0.51 0.05 0.08 0.93 0.23 0.00 0.00 176.91 178.71 2pga h GLU 2127N 0.00 0.00 -6.64 0.39 3.07 -2.03 -3.42 114.58 105.94 2pga h GLU 2127Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 2pga h GLU 2127Cb 0.10 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2pga h GLU 2127CO 0.01 0.00 0.57 0.12 -1.40 0.00 0.00 179.01 178.31 2pga s PHE 2128N -4.85 3.41 0.03 4.33 2.19 -0.46 -4.99 117.98 117.65 2pga s PHE 2128Ca -0.05 1.38 -0.30 0.00 0.33 0.00 0.00 56.93 58.29 2pga s PHE 2128Cb 0.16 -3.45 -0.04 0.00 -1.31 0.00 0.00 43.02 38.38 2pga s PHE 2128CO 0.62 -1.30 1.08 -1.25 1.83 0.00 0.00 175.22 176.19 2pga s PRO 2129N -0.04 4.51 -1.34 10.12 0.04 -1.26 -4.93 135.00 142.09 2pga s PRO 2129Ca 0.54 1.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 2pga s PRO 2129Cb -0.33 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 30.81 2pga s PRO 2129CO 0.36 -0.13 2.17 0.00 0.04 0.00 0.00 177.00 179.43 2pga n ALA 2130N 3.87 5.11 -2.79 8.56 0.00 -1.26 -4.76 120.51 129.23 2pga n ALA 2130Ca 0.07 -3.78 -0.35 0.00 0.00 0.00 0.00 53.44 49.38 2pga n ALA 2130Cb 0.49 -3.56 -0.07 0.00 0.00 0.00 0.00 19.45 16.31 2pga n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pga s VAL 2131N 3.56 4.94 0.59 0.00 0.11 -1.26 -0.71 120.40 127.63 2pga s VAL 2131Ca 0.49 -0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.31 2pga s VAL 2131Cb 0.14 -3.16 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2pga s VAL 2131CO -0.05 0.55 1.04 0.00 -3.33 0.00 0.00 175.10 173.30 2pga s ALA 2132N -1.03 2.85 0.32 1.54 0.00 -0.03 -4.66 121.76 120.76 2pga s ALA 2132Ca 0.17 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 2pga s ALA 2132Cb -0.12 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2pga s ALA 2132CO 0.06 -0.72 1.33 0.34 0.00 0.00 0.00 175.76 176.77 2pga s ASP 2133N -3.16 6.74 0.14 0.00 -1.08 0.76 -4.94 116.67 115.13 2pga s ASP 2133Ca 0.61 2.70 -0.14 0.00 -0.52 0.00 0.00 52.55 55.19 2pga s ASP 2133Cb -0.14 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 2pga s ASP 2133CO 0.40 -0.57 1.63 0.15 0.52 0.00 0.00 175.17 177.30 2pga h PHE 2134N 3.58 0.76 -0.48 -5.34 3.57 -1.95 -1.39 116.94 115.67 2pga h PHE 2134Ca -0.49 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 60.90 2pga h PHE 2134Cb 1.23 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2pga h PHE 2134CO 0.56 0.71 0.23 0.00 -2.23 0.00 0.00 178.31 177.59 2pga h ALA 2135N 0.96 0.62 -0.34 2.41 0.00 -1.96 0.38 119.26 121.34 2pga h ALA 2135Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2pga h ALA 2135Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2pga h ALA 2135CO 0.00 0.19 0.13 0.00 0.00 0.00 0.00 179.25 179.57 2pga h THR 2137N 0.40 1.22 0.05 0.00 2.02 -1.10 -0.42 112.91 115.08 2pga h THR 2137Ca 0.11 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2pga h THR 2137Cb 0.21 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2pga h THR 2137CO -0.01 0.25 -0.05 0.74 0.37 0.00 0.00 175.52 176.82 2pga h THR 2138N 0.93 0.89 -0.91 3.16 2.02 -0.72 -1.03 112.91 117.24 2pga h THR 2138Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2pga h THR 2138Cb 0.09 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2pga h THR 2138CO -0.03 0.00 0.59 0.00 0.37 0.00 0.00 175.52 176.44 2pga h ALA 2139N 0.83 1.32 -0.46 6.16 0.00 -0.72 -0.12 119.26 126.27 2pga h ALA 2139Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2pga h ALA 2139Cb 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2pga h ALA 2139CO -0.01 0.62 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 2pga h LEU 2140N 1.25 0.80 -0.28 0.00 3.38 -0.82 -0.60 115.31 119.04 2pga h LEU 2140Ca 0.33 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2pga h LEU 2140Cb -0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 2pga h LEU 2140CO -0.07 0.91 0.00 0.58 0.09 0.00 0.00 178.44 179.96 2pga h VAL 2141N 0.66 1.25 -0.25 1.22 2.07 -0.73 -1.09 116.25 119.39 2pga h VAL 2141Ca 0.13 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 2pga h VAL 2141Cb 0.50 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2pga h VAL 2141CO 0.02 0.29 -0.25 -0.33 0.02 0.00 0.00 177.57 177.33 2pga h GLU 2142N 0.27 0.48 -0.46 1.57 5.08 -0.98 -0.53 114.58 120.01 2pga h GLU 2142Ca 0.08 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2pga h GLU 2142Cb 0.42 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2pga h GLU 2142CO 0.01 0.69 -0.07 0.00 -1.00 0.00 0.00 179.01 178.64 2pga h ALA 2143N 1.31 0.64 -0.23 3.43 0.00 -1.01 -1.04 119.26 122.35 2pga h ALA 2143Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2pga h ALA 2143Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2pga h ALA 2143CO 0.05 0.50 0.05 0.00 0.00 0.00 0.00 179.25 179.85 2pga h ALA 2144N 0.89 1.65 -0.29 0.00 0.00 -0.82 -2.64 119.26 118.05 2pga h ALA 2144Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2pga h ALA 2144Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pga h ALA 2144CO 0.04 0.27 -0.52 -0.22 0.00 0.00 0.00 179.25 178.81 2pga h LYS 2145N 0.33 0.88 0.00 0.00 1.63 -0.50 -0.63 116.57 118.27 2pga h LYS 2145Ca 0.08 -0.55 -0.06 0.00 -0.85 0.00 0.00 60.65 59.27 2pga h LYS 2145Cb 0.15 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 2pga h LYS 2145CO -0.00 1.18 -0.31 0.66 -3.45 0.00 0.00 179.45 177.54 2pga h SER 2146N 0.66 0.00 -0.20 4.20 4.64 -0.84 -1.99 113.55 120.02 2pga h SER 2146Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2pga h SER 2146Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2pga h SER 2146CO 0.12 0.31 0.00 2.30 -0.87 0.00 0.00 176.83 178.69 2pga n ILE 2147N -3.84 0.24 -2.02 0.95 -5.35 -1.14 -4.96 119.36 103.26 2pga n ILE 2147Ca -0.01 -0.54 -0.09 0.00 -0.27 0.00 0.00 62.75 61.84 2pga n ILE 2147Cb 0.39 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.22 2pga n ILE 2147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pga n GLY 2148N 1.35 0.18 3.77 3.28 0.00 -0.75 -5.00 105.19 108.02 2pga n GLY 2148Ca 0.17 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 2pga n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pga s ALA 2149N -2.42 3.25 -0.54 4.61 0.00 -0.27 -4.98 121.76 121.42 2pga s ALA 2149Ca 0.00 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 2pga s ALA 2149Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 2pga s ALA 2149CO 0.00 -0.36 1.30 0.99 0.00 0.00 0.00 175.76 177.69 2pga s THR 2150N -1.36 3.94 -0.04 0.00 2.01 -1.26 -4.74 115.64 114.18 2pga s THR 2150Ca 0.52 0.85 0.02 0.00 0.31 0.00 0.00 61.69 63.39 2pga s THR 2150Cb -0.30 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.63 2pga s THR 2150CO 0.38 -1.18 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.17 2pga s THR 2151N 5.37 3.64 -0.09 -0.82 2.01 -1.26 -1.15 115.64 123.33 2pga s THR 2151Ca 0.49 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.94 2pga s THR 2151Cb -0.09 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2pga s THR 2151CO 0.27 0.53 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.51 2pga s HIS 2152N -0.86 2.37 -0.15 4.92 3.76 0.11 -4.95 115.29 120.48 2pga s HIS 2152Ca 0.14 -0.96 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2pga s HIS 2152Cb -0.11 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.98 2pga s HIS 2152CO 0.03 -0.40 -0.17 0.08 -0.85 0.00 0.00 174.74 173.43 2pga s VAL 2153N 0.40 2.51 -2.75 -0.90 1.01 -1.26 -0.71 120.40 118.70 2pga s VAL 2153Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2pga s VAL 2153Cb -0.18 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2pga s VAL 2153CO 0.08 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2pga n GLY 2154N 4.00 -0.60 3.84 4.51 0.00 -0.69 -4.96 105.19 111.29 2pga n GLY 2154Ca -0.19 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2pga n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 2155N -3.66 4.96 -0.03 1.61 1.01 -1.26 -1.33 120.40 121.70 2pga s VAL 2155Ca 0.00 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.91 2pga s VAL 2155Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2pga s VAL 2155CO 0.00 0.49 -0.24 -0.89 0.00 0.00 0.00 175.10 174.46 2pga s THR 2156N -1.18 1.95 -0.21 3.92 2.01 -0.95 -0.43 115.64 120.74 2pga s THR 2156Ca 0.28 -1.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.06 2pga s THR 2156Cb -0.17 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 2pga s THR 2156CO 0.16 0.55 0.49 0.00 -0.69 0.00 0.00 174.62 175.12 2pga s ALA 2157N -0.44 3.56 -0.30 7.40 0.00 0.46 -0.27 121.76 132.17 2pga s ALA 2157Ca 0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 2pga s ALA 2157Cb -0.11 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2pga s ALA 2157CO 0.00 -0.48 0.03 0.45 0.00 0.00 0.00 175.76 175.76 2pga s SER 2158N 1.22 4.91 -0.06 0.00 0.15 -0.62 -1.65 113.70 117.65 2pga s SER 2158Ca 0.22 -1.05 0.03 0.00 0.70 0.00 0.00 55.95 55.85 2pga s SER 2158Cb -0.15 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 2pga s SER 2158CO 0.09 -0.24 -0.13 -0.55 1.20 0.00 0.00 173.24 173.62 2pga s SER 2159N 1.35 4.15 0.00 5.45 0.15 -0.05 -1.13 113.70 123.62 2pga s SER 2159Ca -0.02 -0.17 0.18 0.00 0.70 0.00 0.00 55.95 56.63 2pga s SER 2159Cb -0.19 -0.98 0.76 0.00 -1.71 0.00 0.00 66.02 63.91 2pga s SER 2159CO -0.00 0.33 1.56 0.47 1.20 0.00 0.00 173.24 176.80 2pga n ASP 2160N 2.40 0.00 -4.28 5.45 10.43 -0.68 -4.33 116.55 125.54 2pga n ASP 2160Ca -0.17 0.45 -0.20 0.00 2.57 0.00 0.00 54.79 57.44 2pga n ASP 2160Cb 0.52 -0.48 -0.11 0.00 1.84 0.00 0.00 41.12 42.89 2pga n ASP 2160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pga s THR 2161N -2.96 1.56 0.04 -3.53 -4.23 -1.26 -5.01 115.64 100.24 2pga s THR 2161Ca 0.09 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.89 2pga s THR 2161Cb 0.12 -1.68 -0.22 0.00 1.34 0.00 0.00 72.50 72.05 2pga s THR 2161CO 0.32 -0.37 0.97 0.15 -0.54 0.00 0.00 174.62 175.14 2pga h PHE 2162N 3.39 0.00 0.00 3.99 3.04 -1.97 -3.40 116.94 121.99 2pga h PHE 2162Ca -0.41 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.54 2pga h PHE 2162Cb 1.20 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2pga h PHE 2162CO 0.66 1.00 0.00 0.66 -2.02 0.00 0.00 178.31 178.62 2pga n TYR 2163N -3.20 0.00 0.15 0.41 4.02 -1.26 -4.39 117.16 112.90 2pga n TYR 2163Ca -0.09 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.81 2pga n TYR 2163Cb 1.00 0.00 0.31 0.00 -0.02 0.00 0.00 39.34 40.63 2pga n TYR 2163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2pga h PRO 2164N 0.00 0.08 0.00 -0.72 0.13 -1.87 -0.67 132.00 128.95 2pga h PRO 2164Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2pga h PRO 2164Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2pga h PRO 2164CO 0.00 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 2pga n GLY 2165N -0.38 -1.22 1.03 1.56 0.00 -1.26 -0.94 105.19 103.98 2pga n GLY 2165Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2pga n GLY 2165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pga n GLN 2166N -1.89 2.94 -4.19 1.61 6.02 -0.81 -4.93 117.38 116.14 2pga n GLN 2166Ca 0.03 -2.91 -0.32 0.00 -0.01 0.00 0.00 57.00 53.79 2pga n GLN 2166Cb 0.23 -1.89 -0.06 0.00 1.02 0.00 0.00 30.24 29.54 2pga n GLN 2166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pga n GLU 2167N -0.51 -1.40 -3.28 -1.09 2.13 -0.12 -4.93 120.64 111.45 2pga n GLU 2167Ca 0.24 0.17 -0.38 0.00 0.66 0.00 0.00 57.16 57.85 2pga n GLU 2167Cb 0.95 -3.68 -0.06 0.00 0.27 0.00 0.00 31.44 28.93 2pga n GLU 2167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2pga s ARG 2168N -7.16 4.28 0.00 5.31 0.52 -0.32 -4.97 118.95 116.61 2pga s ARG 2168Ca 0.08 0.58 0.15 0.00 -0.52 0.00 0.00 55.73 56.01 2pga s ARG 2168Cb -0.04 -3.37 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 2pga s ARG 2168CO 0.97 0.31 0.71 0.66 0.02 0.00 0.00 175.30 177.97 2pga n TYR 2169N 3.04 0.00 -1.74 -0.53 4.02 -1.26 -4.43 117.16 116.26 2pga n TYR 2169Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.40 2pga n TYR 2169Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.83 2pga n TYR 2169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2pga n ASP 2170N -0.73 5.78 -4.00 7.72 3.85 -1.26 -4.21 116.55 123.70 2pga n ASP 2170Ca 0.04 -2.84 -0.17 0.00 -0.71 0.00 0.00 54.79 51.11 2pga n ASP 2170Cb 0.27 -1.57 -0.09 0.00 -1.35 0.00 0.00 41.12 38.37 2pga n ASP 2170CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2pga s THR 2171N 2.05 0.26 0.17 2.12 -4.23 -1.26 -5.01 115.64 109.74 2pga s THR 2171Ca 0.53 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.86 2pga s THR 2171Cb 0.15 -2.52 0.11 0.00 1.34 0.00 0.00 72.50 71.58 2pga s THR 2171CO -0.07 0.00 1.64 0.22 -0.54 0.00 0.00 174.62 175.88 2pga h TYR 2172N 2.30 -0.41 0.00 3.99 5.03 -1.99 -2.87 116.97 123.03 2pga h TYR 2172Ca -0.34 0.04 -0.23 0.00 2.58 0.00 0.00 58.73 60.79 2pga h TYR 2172Cb 1.25 0.24 -0.04 0.00 1.55 0.00 0.00 36.73 39.74 2pga h TYR 2172CO 0.90 -0.25 -1.30 0.66 -1.32 0.00 0.00 178.16 176.85 2pga h SER 2173N -0.08 0.00 -0.28 -2.11 4.64 -1.97 -3.47 113.55 110.29 2pga h SER 2173Ca 0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 2pga h SER 2173Cb 0.40 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.44 2pga h SER 2173CO -0.48 0.89 -0.11 0.61 -0.87 0.00 0.00 176.83 176.87 2pga n GLY 2174N 1.43 0.72 3.61 -0.77 0.00 -1.09 -4.99 105.19 104.10 2pga n GLY 2174Ca -0.08 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2pga n GLY 2174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pga s ARG 2175N -2.07 2.60 -0.10 1.61 3.52 -1.26 -4.91 118.95 118.34 2pga s ARG 2175Ca 0.00 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 2pga s ARG 2175Cb 0.00 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.87 2pga s ARG 2175CO 0.00 0.61 -0.12 0.08 -0.81 0.00 0.00 175.30 175.06 2pga s VAL 2176N -1.01 1.25 0.57 7.11 1.01 -1.26 -4.92 120.40 123.16 2pga s VAL 2176Ca 0.17 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 2pga s VAL 2176Cb -0.11 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 2pga s VAL 2176CO 0.08 0.40 0.90 0.55 0.00 0.00 0.00 175.10 177.02 2pga n VAL 2177N 4.41 3.31 -0.31 2.92 3.14 -1.26 -4.46 118.33 126.09 2pga n VAL 2177Ca -0.18 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.79 2pga n VAL 2177Cb 0.51 -1.08 0.20 0.00 -1.06 0.00 0.00 33.84 32.41 2pga n VAL 2177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2pga h ARG 2178N 0.58 0.04 -1.03 1.45 2.43 -2.00 0.90 114.38 116.75 2pga h ARG 2178Ca -0.48 -0.00 0.25 0.00 -0.81 0.00 0.00 59.98 58.95 2pga h ARG 2178Cb 1.37 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.81 2pga h ARG 2178CO 0.51 0.03 0.64 -0.09 -1.51 0.00 0.00 179.97 179.55 2pga h ARG 2179N 0.04 0.46 -0.00 0.20 2.43 -2.02 -2.58 114.38 112.90 2pga h ARG 2179Ca 0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2pga h ARG 2179Cb 0.90 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2pga h ARG 2179CO -0.84 0.30 -0.78 1.19 -1.51 0.00 0.00 179.97 178.33 2pga n PHE 2180N -4.70 0.00 -1.90 2.20 3.01 0.25 -4.75 117.46 111.57 2pga n PHE 2180Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 2pga n PHE 2180Cb 0.82 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.26 2pga n PHE 2180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pga s LYS 2181N -2.58 4.19 0.00 -1.08 1.02 -0.81 -1.69 119.74 118.79 2pga s LYS 2181Ca 0.07 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.42 2pga s LYS 2181Cb 0.13 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 2pga s LYS 2181CO 0.69 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 2pga n GLY 2182N 4.05 0.75 0.14 -3.33 0.00 -1.26 -4.93 105.19 100.62 2pga n GLY 2182Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2pga n GLY 2182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pga h SER 2183N 0.00 0.28 -0.42 1.61 4.64 -1.62 -2.99 113.55 115.05 2pga h SER 2183Ca 0.00 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 2pga h SER 2183Cb 0.03 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2pga h SER 2183CO 0.00 0.95 0.22 -0.03 -0.87 0.00 0.00 176.83 177.10 2pga h MET 2184N 0.14 0.60 -0.60 4.77 -1.53 -1.92 -0.40 114.93 115.99 2pga h MET 2184Ca -0.03 -0.08 -0.00 0.00 -3.44 0.00 0.00 59.70 56.15 2pga h MET 2184Cb 1.37 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 32.27 2pga h MET 2184CO 0.12 0.50 0.36 1.49 0.14 0.00 0.00 176.91 179.52 2pga h GLU 2185N 0.54 0.80 -0.31 0.39 4.81 -1.96 -0.55 114.58 118.30 2pga h GLU 2185Ca 0.15 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2pga h GLU 2185Cb 0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2pga h GLU 2185CO -0.02 0.56 0.06 0.93 -0.73 0.00 0.00 179.01 179.81 2pga h GLU 2186N 0.82 0.51 -0.38 1.92 5.08 -1.18 -0.76 114.58 120.59 2pga h GLU 2186Ca 0.22 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 2pga h GLU 2186Cb -0.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2pga h GLU 2186CO -0.04 0.59 -0.14 -1.49 -1.00 0.00 0.00 179.01 176.93 2pga h TRP 2187N 0.35 0.75 -0.21 4.33 -0.00 -0.77 -2.00 115.95 118.39 2pga h TRP 2187Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 58.89 58.85 2pga h TRP 2187Cb 0.32 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 2pga h TRP 2187CO 0.02 0.79 0.14 1.96 -0.00 0.00 0.00 178.44 181.35 2pga h GLN 2188N 0.62 0.28 0.00 0.49 4.20 -0.88 -0.96 115.11 118.85 2pga h GLN 2188Ca 0.10 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2pga h GLN 2188Cb 0.60 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2pga h GLN 2188CO 0.04 0.19 -0.10 0.00 -0.67 0.00 0.00 178.83 178.28 2pga h ALA 2189N 1.07 1.76 -0.17 3.87 0.00 -0.92 -1.67 119.26 123.20 2pga h ALA 2189Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pga h ALA 2189Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2pga h ALA 2189CO -0.02 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 2pga n MET 2190N -4.31 1.60 -0.62 0.00 2.81 -0.77 -4.92 117.12 110.91 2pga n MET 2190Ca -0.03 -0.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.95 2pga n MET 2190Cb 0.18 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2pga n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pga n GLY 2191N 1.04 0.74 3.75 3.03 0.00 -0.63 -5.02 105.19 108.09 2pga n GLY 2191Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2pga n GLY 2191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pga s VAL 2192N -2.47 2.22 0.03 1.61 1.01 -0.43 -4.60 120.40 117.77 2pga s VAL 2192Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2pga s VAL 2192Cb 0.00 -3.12 -0.31 0.00 0.00 0.00 0.00 36.38 32.95 2pga s VAL 2192CO 0.00 0.03 0.98 0.24 0.00 0.00 0.00 175.10 176.35 2pga h MET 2193N 4.78 0.35 -2.02 2.72 0.00 -1.08 -3.42 114.93 116.27 2pga h MET 2193Ca -0.47 -0.61 0.20 0.00 0.00 0.00 0.00 59.70 58.83 2pga h MET 2193Cb 1.22 0.23 -0.12 0.00 0.00 0.00 0.00 31.60 32.92 2pga h MET 2193CO 0.78 1.26 0.60 0.54 0.00 0.00 0.00 176.91 180.10 2pga s ASN 2194N -7.24 -0.20 -0.06 1.22 4.22 -1.26 -0.71 114.94 110.92 2pga s ASN 2194Ca -0.08 -0.19 -0.01 0.00 -2.14 0.00 0.00 52.86 50.45 2pga s ASN 2194Cb 0.06 0.35 -0.03 0.00 1.28 0.00 0.00 41.25 42.90 2pga s ASN 2194CO 0.89 -0.61 0.00 -0.31 -2.04 0.00 0.00 177.10 175.03 2pga s TYR 2195N -2.95 3.13 0.00 1.54 2.02 -1.26 -0.40 117.35 119.43 2pga s TYR 2195Ca 0.10 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 2pga s TYR 2195Cb 0.00 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 2pga s TYR 2195CO -0.03 0.46 0.00 -0.85 -1.57 0.00 0.00 175.55 173.56 2pga n GLU 2196N 1.90 0.00 0.00 -0.62 -0.00 -0.66 -4.50 120.64 116.76 2pga n GLU 2196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 2pga n GLU 2196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 2pga n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pga n MET 2197N 0.00 0.61 0.00 3.44 2.81 -1.26 -0.87 117.12 121.85 2pga n MET 2197Ca 0.00 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 2pga n MET 2197Cb 0.00 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2pga n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2pga n GLU 2198N -0.14 2.69 -0.04 0.03 4.71 -1.26 -3.30 120.64 123.32 2pga n GLU 2198Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2pga n GLU 2198Cb 0.25 -0.77 0.08 0.00 -1.01 0.00 0.00 31.44 30.00 2pga n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2pga h SER 2199N 0.00 0.71 -0.36 1.62 4.64 -1.94 -1.64 113.55 116.57 2pga h SER 2199Ca 0.00 -0.30 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2pga h SER 2199Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 2pga h SER 2199CO 0.00 0.99 0.10 0.00 -0.87 0.00 0.00 176.83 177.05 2pga h ALA 2200N 1.04 0.41 0.34 5.18 0.00 -1.86 0.27 119.26 124.63 2pga h ALA 2200Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2pga h ALA 2200Cb 0.87 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2pga h ALA 2200CO 0.08 -0.30 -0.16 1.15 0.00 0.00 0.00 179.25 180.01 2pga h THR 2201N 0.24 0.68 0.17 0.00 2.02 -1.88 -1.35 112.91 112.78 2pga h THR 2201Ca 0.17 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.10 2pga h THR 2201Cb 0.17 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2pga h THR 2201CO -0.20 0.05 -0.29 0.25 0.37 0.00 0.00 175.52 175.70 2pga h LEU 2202N -0.60 -0.83 -0.69 2.58 5.85 -1.05 -0.77 115.31 119.81 2pga h LEU 2202Ca -0.05 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2pga h LEU 2202Cb 0.44 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2pga h LEU 2202CO 0.08 -0.39 0.11 -0.07 -0.34 0.00 0.00 178.44 177.83 2pga h LEU 2203N -0.54 1.08 -0.15 2.25 3.38 -0.51 -2.08 115.31 118.75 2pga h LEU 2203Ca 0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2pga h LEU 2203Cb 0.55 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2pga h LEU 2203CO -0.14 1.06 -0.10 0.74 0.09 0.00 0.00 178.44 180.09 2pga h THR 2204N 1.05 1.33 -0.09 0.22 2.02 -1.14 -0.43 112.91 115.86 2pga h THR 2204Ca 0.21 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 2pga h THR 2204Cb 0.44 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 2pga h THR 2204CO 0.01 0.35 -0.21 0.00 0.37 0.00 0.00 175.52 176.04 2pga h MET 2205N -0.02 0.15 0.04 6.66 -0.00 -1.07 -2.06 114.93 118.62 2pga h MET 2205Ca 0.03 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 2pga h MET 2205Cb 0.59 -0.02 0.01 0.00 -0.00 0.00 0.00 31.60 32.18 2pga h MET 2205CO 0.03 0.36 -0.28 0.00 -0.00 0.00 0.00 176.91 177.01 2pga h ALA 2207N 0.08 1.40 -0.48 0.00 0.00 -0.97 -1.56 119.26 117.73 2pga h ALA 2207Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pga h ALA 2207Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pga h ALA 2207CO 0.05 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 2pga n SER 2208N -3.77 3.31 -0.26 0.00 3.41 -0.79 -4.32 113.62 111.20 2pga n SER 2208Ca -0.02 -1.97 0.01 0.00 -0.26 0.00 0.00 58.87 56.63 2pga n SER 2208Cb 0.18 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 2pga n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pga n GLN 2209N 1.35 0.32 -1.07 4.33 6.02 -0.78 -5.01 117.38 122.53 2pga n GLN 2209Ca 0.20 -1.02 -0.03 0.00 -0.01 0.00 0.00 57.00 56.15 2pga n GLN 2209Cb 0.56 -0.63 -0.01 0.00 1.02 0.00 0.00 30.24 31.18 2pga n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pga n GLY 2210N -0.17 0.59 3.81 1.08 0.00 -1.02 -5.03 105.19 104.45 2pga n GLY 2210Ca 0.02 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2pga n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pga s LEU 2211N -0.59 3.94 -0.13 0.99 1.43 -0.66 -5.05 118.68 118.62 2pga s LEU 2211Ca 0.00 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 2pga s LEU 2211Cb 0.00 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2pga s LEU 2211CO 0.00 0.21 0.37 -0.13 0.23 0.00 0.00 176.35 177.03 2pga s ARG 2212N -2.20 4.23 0.04 1.70 0.52 0.02 -3.96 118.95 119.31 2pga s ARG 2212Ca 0.28 0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.77 2pga s ARG 2212Cb -0.12 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 2pga s ARG 2212CO 0.20 0.27 -0.08 0.00 0.02 0.00 0.00 175.30 175.72 2pga s ALA 2213N 0.32 0.59 0.20 2.13 0.00 -1.26 0.29 121.76 124.03 2pga s ALA 2213Ca 0.21 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 2pga s ALA 2213Cb -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2pga s ALA 2213CO 0.07 0.02 0.25 0.20 0.00 0.00 0.00 175.76 176.30 2pga s GLY 2214N -1.32 1.00 -0.12 0.00 0.00 -0.57 -0.17 107.32 106.13 2pga s GLY 2214Ca -0.07 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 2pga s GLY 2214CO 0.00 -1.08 0.31 -0.29 0.00 0.00 0.00 173.10 172.04 2pga s MET 2215N -4.08 0.33 0.03 2.90 1.75 -1.26 -0.82 119.30 118.14 2pga s MET 2215Ca 0.30 0.50 0.03 0.00 -1.25 0.00 0.00 55.69 55.26 2pga s MET 2215Cb 0.04 0.08 -0.02 0.00 2.84 0.00 0.00 34.83 37.78 2pga s MET 2215CO 0.09 -0.08 -0.09 0.54 -0.65 0.00 0.00 175.02 174.82 2pga s VAL 2216N 0.57 0.72 -0.04 10.11 0.11 -0.49 -1.99 120.40 129.39 2pga s VAL 2216Ca -0.03 -0.78 -0.12 0.00 -2.93 0.00 0.00 61.98 58.12 2pga s VAL 2216Cb -0.05 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2pga s VAL 2216CO -0.03 -0.07 0.27 0.00 -3.33 0.00 0.00 175.10 171.93 2pga s ALA 2217N -0.78 -0.68 -0.02 1.54 0.00 -0.14 -1.85 121.76 119.83 2pga s ALA 2217Ca -0.02 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 2pga s ALA 2217Cb -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2pga s ALA 2217CO 0.00 -0.22 0.37 0.20 0.00 0.00 0.00 175.76 176.12 2pga s GLY 2218N -0.91 2.43 -0.25 0.00 0.00 -0.51 0.15 107.32 108.22 2pga s GLY 2218Ca -0.10 -0.29 -0.24 0.00 0.00 0.00 0.00 44.72 44.09 2pga s GLY 2218CO 0.03 0.08 0.81 0.14 0.00 0.00 0.00 173.10 174.16 2pga s VAL 2219N -1.01 4.84 -0.26 1.40 1.01 0.79 -0.56 120.40 126.61 2pga s VAL 2219Ca 0.22 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.79 2pga s VAL 2219Cb -0.16 -4.11 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 2pga s VAL 2219CO 0.12 -0.08 0.29 2.30 0.00 0.00 0.00 175.10 177.72 2pga n ILE 2220N 5.28 0.00 -3.76 2.22 -5.35 -0.30 0.20 119.36 117.64 2pga n ILE 2220Ca 0.05 -0.27 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 2pga n ILE 2220Cb 0.48 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 39.10 2pga n ILE 2220CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 2pga s VAL 2221N -2.04 0.04 -0.26 7.28 -7.23 -1.24 -4.66 120.40 112.28 2pga s VAL 2221Ca 0.01 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2pga s VAL 2221Cb 0.06 -1.57 0.15 0.00 0.56 0.00 0.00 36.38 35.58 2pga s VAL 2221CO 0.34 -0.17 0.46 0.21 -0.31 0.00 0.00 175.10 175.63 2pga s ASN 2222N -2.88 -0.39 0.36 4.85 3.84 -1.26 -2.08 114.94 117.37 2pga s ASN 2222Ca 0.10 0.49 0.12 0.00 0.21 0.00 0.00 52.86 53.77 2pga s ASN 2222Cb 0.00 1.53 0.68 0.00 -0.55 0.00 0.00 41.25 42.91 2pga s ASN 2222CO -0.03 -0.28 1.81 0.08 -2.79 0.00 0.00 177.10 175.88 2pga h ARG 2223N 8.11 0.03 0.00 0.43 0.11 -1.97 -2.40 114.38 118.68 2pga h ARG 2223Ca -0.21 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.78 2pga h ARG 2223Cb 1.16 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 2pga h ARG 2223CO 0.27 0.40 -0.39 1.79 0.10 0.00 0.00 179.97 182.14 2pga h THR 2224N 0.02 1.19 0.00 0.08 1.35 -1.90 -3.53 112.91 110.13 2pga h THR 2224Ca -0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 2pga h THR 2224Cb 0.68 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2pga h THR 2224CO 0.05 0.38 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 2pga n GLN 2225N -3.94 0.00 0.00 4.72 6.02 -0.91 -5.03 117.38 118.25 2pga n GLN 2225Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2pga n GLN 2225Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 2pga n GLN 2225CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2pga n MET 2234N 0.00 0.00 0.03 -1.09 1.56 -1.26 -4.94 117.12 111.42 2pga n MET 2234Ca 0.00 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.37 2pga n MET 2234Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 2pga n MET 2234CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 2pga h LYS 2235N 0.00 -0.18 -0.43 2.12 3.64 -2.00 -2.55 116.57 117.16 2pga h LYS 2235Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2pga h LYS 2235Cb 0.00 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2pga h LYS 2235CO 0.00 0.07 0.13 1.96 -2.27 0.00 0.00 179.45 179.34 2pga h GLN 2236N -1.01 0.27 -0.25 1.90 7.50 -2.02 0.05 115.11 121.55 2pga h GLN 2236Ca -0.02 -0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.17 2pga h GLN 2236Cb 0.34 -0.06 -0.06 0.00 0.05 0.00 0.00 27.48 27.75 2pga h GLN 2236CO 0.03 0.18 -0.11 1.15 -1.50 0.00 0.00 178.83 178.58 2pga h THR 2237N 0.28 0.64 0.37 -0.54 2.02 -1.89 0.52 112.91 114.30 2pga h THR 2237Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 2pga h THR 2237Cb 0.23 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2pga h THR 2237CO -0.24 0.00 -0.52 -0.33 0.37 0.00 0.00 175.52 174.80 2pga h GLU 2238N -0.07 -0.90 -0.89 6.66 5.08 -0.95 -0.96 114.58 122.56 2pga h GLU 2238Ca 0.13 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.73 2pga h GLU 2238Cb 0.27 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.62 2pga h GLU 2238CO -0.30 -0.60 0.45 0.77 -1.00 0.00 0.00 179.01 178.33 2pga h SER 2239N -0.93 0.50 0.50 1.42 0.02 -0.69 0.10 113.55 114.46 2pga h SER 2239Ca -0.04 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2pga h SER 2239Cb 0.84 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 2pga h SER 2239CO -0.14 0.15 -0.29 0.45 -1.14 0.00 0.00 176.83 175.86 2pga h HIS 2240N 0.56 -0.75 -0.74 3.45 3.86 -0.57 0.13 115.15 121.10 2pga h HIS 2240Ca 0.51 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.84 2pga h HIS 2240Cb 0.83 0.26 -0.09 0.00 1.06 0.00 0.00 27.41 29.48 2pga h HIS 2240CO -0.09 -0.45 0.31 0.00 0.86 0.00 0.00 177.93 178.56 2pga h ALA 2241N -0.27 1.03 -0.50 2.45 0.00 0.12 0.15 119.26 122.24 2pga h ALA 2241Ca -0.06 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2pga h ALA 2241Cb 0.59 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2pga h ALA 2241CO 0.07 -0.17 -0.07 0.28 0.00 0.00 0.00 179.25 179.36 2pga h VAL 2242N 0.48 1.27 -0.74 0.00 2.07 -0.55 -0.76 116.25 118.01 2pga h VAL 2242Ca 0.39 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2pga h VAL 2242Cb 0.55 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2pga h VAL 2242CO -0.36 0.42 0.35 0.11 0.02 0.00 0.00 177.57 178.10 2pga h LYS 2243N 0.79 1.08 -0.07 1.57 1.57 0.07 -1.67 116.57 119.91 2pga h LYS 2243Ca 0.13 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2pga h LYS 2243Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2pga h LYS 2243CO 0.04 0.85 -0.02 0.82 -0.57 0.00 0.00 179.45 180.57 2pga h ILE 2244N 1.05 0.93 -0.09 1.86 2.04 -0.42 -0.15 117.51 122.73 2pga h ILE 2244Ca 0.25 -0.00 -0.10 0.00 1.00 0.00 0.00 64.86 66.02 2pga h ILE 2244Cb 0.14 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2pga h ILE 2244CO -0.03 0.00 -0.38 1.62 0.00 0.00 0.00 178.15 179.36 2pga h VAL 2245N 0.00 1.29 -0.12 1.67 3.04 -0.92 0.11 116.25 121.33 2pga h VAL 2245Ca 0.03 -1.42 -0.09 0.00 -1.01 0.00 0.00 66.70 64.22 2pga h VAL 2245Cb 0.05 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 2pga h VAL 2245CO -0.07 0.42 -0.26 0.58 -1.01 0.00 0.00 177.57 177.23 2pga h VAL 2246N 0.16 1.38 -0.53 1.51 2.07 -1.16 -1.37 116.25 118.32 2pga h VAL 2246Ca 0.02 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 2pga h VAL 2246Cb 0.75 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 2pga h VAL 2246CO 0.06 0.45 0.19 -0.08 0.02 0.00 0.00 177.57 178.21 2pga h GLU 2247N -0.04 0.77 -0.52 1.57 4.57 -0.79 -1.92 114.58 118.21 2pga h GLU 2247Ca 0.00 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 2pga h GLU 2247Cb 0.86 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2pga h GLU 2247CO 0.06 0.65 -0.06 0.00 -1.18 0.00 0.00 179.01 178.48 2pga h ALA 2248N 1.46 0.71 -0.41 2.92 0.00 -0.75 -2.89 119.26 120.29 2pga h ALA 2248Ca 0.18 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2pga h ALA 2248Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2pga h ALA 2248CO -0.01 0.58 0.27 0.00 0.00 0.00 0.00 179.25 180.09 2pga h ALA 2249N 0.93 1.78 -0.45 0.00 0.00 -0.50 -1.32 119.26 119.71 2pga h ALA 2249Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2pga h ALA 2249Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pga h ALA 2249CO 0.04 0.18 0.05 -0.09 0.00 0.00 0.00 179.25 179.43 2pga h ARG 2250N 0.49 0.70 0.00 0.00 2.43 -1.19 -2.00 114.38 114.81 2pga h ARG 2250Ca 0.16 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2pga h ARG 2250Cb 0.04 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2pga h ARG 2250CO -0.04 0.68 0.00 0.54 -1.51 0.00 0.00 179.97 179.64 2pga n ARG 2251N -4.26 0.03 -0.08 0.20 1.74 -0.51 -3.57 116.66 110.21 2pga n ARG 2251Ca 0.03 0.08 0.04 0.00 -0.77 0.00 0.00 57.85 57.23 2pga n ARG 2251Cb 0.25 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.27 2pga n ARG 2251CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pga n LEU 2252N -1.48 2.31 -0.13 0.55 4.77 -0.76 -5.07 117.00 117.19 2pga n LEU 2252Ca 0.06 -1.65 0.15 0.00 -0.03 0.00 0.00 56.01 54.54 2pga n LEU 2252Cb 0.27 -0.11 0.84 0.00 -2.33 0.00 0.00 43.42 42.09 2pga n LEU 2252CO 0.22 0.55 1.05 0.18 -1.33 0.00 0.00 177.39 178.05