#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkb n GLN 2004N 0.00 0.12 -2.42 3.44 3.00 -1.26 -4.78 117.38 115.48 3dkb n GLN 2004Ca 0.00 -0.13 -0.38 0.00 -0.01 0.00 0.00 57.00 56.48 3dkb n GLN 2004Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 30.24 28.66 3dkb n GLN 2004CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3dkb s VAL 2005N 3.95 3.90 -0.30 5.09 0.11 -1.26 -4.87 120.40 127.02 3dkb s VAL 2005Ca 1.26 -1.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 3dkb s VAL 2005Cb -0.78 -4.94 0.09 0.00 -1.53 0.00 0.00 36.38 29.21 3dkb s VAL 2005CO 0.48 -1.69 0.03 -0.22 -3.33 0.00 0.00 175.10 170.36 3dkb s LEU 2006N 6.37 3.48 0.20 2.54 2.96 -1.26 -5.10 118.68 127.87 3dkb s LEU 2006Ca 0.57 -1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 52.58 3dkb s LEU 2006Cb 0.01 -1.31 -0.11 0.00 0.50 0.00 0.00 46.19 45.29 3dkb s LEU 2006CO 0.05 -0.34 0.19 -0.81 -1.32 0.00 0.00 176.35 174.12 3dkb n PRO 2007N 4.52 0.00 0.15 0.98 -0.04 -1.26 -4.89 135.00 134.46 3dkb n PRO 2007Ca -0.03 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 3dkb n PRO 2007Cb 0.42 -0.66 0.43 0.00 -0.04 0.00 0.00 33.50 33.65 3dkb n PRO 2007CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3dkb h GLN 2008N 0.42 0.00 -4.57 0.54 4.15 -2.00 -3.42 115.11 110.24 3dkb h GLN 2008Ca -0.22 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 58.98 3dkb h GLN 2008Cb 0.96 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.48 3dkb h GLN 2008CO 0.34 0.00 -0.70 0.00 -1.93 0.00 0.00 178.83 176.54 3dkb s ALA 2009N -3.24 0.81 0.36 3.38 0.00 -1.26 -4.19 121.76 117.62 3dkb s ALA 2009Ca 0.07 -1.17 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3dkb s ALA 2009Cb 0.10 0.14 0.68 0.00 0.00 0.00 0.00 23.12 24.04 3dkb s ALA 2009CO 0.54 -0.19 1.89 -0.07 0.00 0.00 0.00 175.76 177.93 3dkb h LEU 2010N 3.41 0.38 -0.91 0.00 3.38 -1.88 -3.05 115.31 116.65 3dkb h LEU 2010Ca -0.35 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3dkb h LEU 2010Cb 1.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dkb h LEU 2010CO 0.58 0.49 0.00 0.10 0.09 0.00 0.00 178.44 179.70 3dkb h TYR 2011N 0.39 0.00 0.00 1.13 -0.00 -1.90 -3.13 116.97 113.47 3dkb h TYR 2011Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.81 3dkb h TYR 2011Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.07 3dkb h TYR 2011CO 0.01 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.10 3dkb h LEU 2012N 0.00 0.00 -1.67 0.10 3.38 -1.91 -3.03 115.31 112.18 3dkb h LEU 2012Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkb h LEU 2012Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dkb h LEU 2012CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 3dkb h SER 2013N 0.00 0.00 -0.58 -0.43 4.64 -1.72 -3.32 113.55 112.14 3dkb h SER 2013Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3dkb h SER 2013Cb 0.79 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.72 3dkb h SER 2013CO 0.00 0.00 -0.29 0.21 -0.87 0.00 0.00 176.83 175.88 3dkb s ASN 2014N -4.38 -0.84 0.52 4.97 3.84 -1.15 -4.81 114.94 113.09 3dkb s ASN 2014Ca -0.02 -0.92 0.20 0.00 0.21 0.00 0.00 52.86 52.33 3dkb s ASN 2014Cb 0.08 1.10 1.30 0.00 -0.55 0.00 0.00 41.25 43.18 3dkb s ASN 2014CO 0.28 -0.04 2.07 0.24 -2.79 0.00 0.00 177.10 176.86 3dkb h MET 2015N 4.81 0.04 0.24 0.43 2.86 -1.65 -2.16 114.93 119.50 3dkb h MET 2015Ca 0.02 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3dkb h MET 2015Cb 1.15 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.80 3dkb h MET 2015CO -0.04 0.03 -0.12 -0.09 1.06 0.00 0.00 176.91 177.75 3dkb h ARG 2016N 0.04 -0.31 -0.64 1.72 1.12 -1.95 -1.64 114.38 112.73 3dkb h ARG 2016Ca 0.13 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.00 3dkb h ARG 2016Cb 0.49 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.49 3dkb h ARG 2016CO -0.01 -0.12 0.28 -0.22 -3.11 0.00 0.00 179.97 176.80 3dkb h LYS 2017N -0.44 0.92 -0.97 0.20 3.64 -1.81 -1.22 116.57 116.88 3dkb h LYS 2017Ca -0.03 -0.13 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3dkb h LYS 2017Cb 0.34 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3dkb h LYS 2017CO 0.05 0.73 0.63 0.00 -2.27 0.00 0.00 179.45 178.59 3dkb h ALA 2018N 1.40 1.48 -0.21 5.00 0.00 -1.14 0.82 119.26 126.61 3dkb h ALA 2018Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3dkb h ALA 2018Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3dkb h ALA 2018CO -0.03 0.35 -0.28 0.28 0.00 0.00 0.00 179.25 179.58 3dkb h VAL 2019N 1.08 1.27 -0.12 0.00 2.07 -0.26 -0.94 116.25 119.35 3dkb h VAL 2019Ca 0.43 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3dkb h VAL 2019Cb 0.26 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3dkb h VAL 2019CO -0.18 0.40 0.08 0.50 0.02 0.00 0.00 177.57 178.39 3dkb h LYS 2020N 0.36 0.16 -0.00 1.57 3.64 -0.31 -0.65 116.57 121.34 3dkb h LYS 2020Ca 0.05 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dkb h LYS 2020Cb 0.68 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3dkb h LYS 2020CO 0.05 0.11 0.00 0.82 -2.27 0.00 0.00 179.45 178.16 3dkb h ILE 2021N 0.16 1.09 0.00 2.00 2.04 -1.04 -1.98 117.51 119.78 3dkb h ILE 2021Ca 0.04 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dkb h ILE 2021Cb -0.01 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3dkb h ILE 2021CO -0.01 0.07 0.00 0.03 0.00 0.00 0.00 178.15 178.24 3dkb h ARG 2022N -0.11 0.00 0.05 2.37 3.08 -1.00 -2.22 114.38 116.56 3dkb h ARG 2022Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3dkb h ARG 2022Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3dkb h ARG 2022CO -0.00 0.00 -1.99 0.39 -1.07 0.00 0.00 179.97 177.30 3dkb n GLU 2023N -2.53 0.69 0.15 0.04 1.02 -0.27 -4.20 120.64 115.54 3dkb n GLU 2023Ca -0.01 0.23 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 3dkb n GLU 2023Cb 0.09 -1.70 0.17 0.00 -0.02 0.00 0.00 31.44 29.97 3dkb n GLU 2023CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dkb h ARG 2024N 0.03 0.00 0.10 3.49 3.08 -0.84 -3.36 114.38 116.88 3dkb h ARG 2024Ca -0.40 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.67 3dkb h ARG 2024Cb 2.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.05 3dkb h ARG 2024CO 0.06 0.56 -0.27 1.79 -1.07 0.00 0.00 179.97 181.04 3dkb h THR 2025N 0.00 0.41 0.00 2.04 1.35 -1.59 -2.04 112.91 113.09 3dkb h THR 2025Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 3dkb h THR 2025Cb 1.17 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3dkb h THR 2025CO 0.07 0.00 -0.23 1.55 -0.25 0.00 0.00 175.52 176.66 3dkb h PRO 2026N -0.47 0.00 0.00 4.72 0.13 -1.78 -2.01 132.00 132.59 3dkb h PRO 2026Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3dkb h PRO 2026Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 3dkb h PRO 2026CO -0.17 0.23 0.00 0.93 -0.23 0.00 0.00 178.00 178.76 3dkb h GLU 2027N 0.00 0.00 -0.01 0.86 4.39 -1.64 -2.75 114.58 115.43 3dkb h GLU 2027Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dkb h GLU 2027Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3dkb h GLU 2027CO 0.03 0.00 -0.15 -3.47 -1.16 0.00 0.00 179.01 174.26 3dkb n ASP 2028N -2.81 1.10 -4.69 1.42 4.64 -0.76 -4.86 116.55 110.60 3dkb n ASP 2028Ca 0.03 -1.06 -0.40 0.00 -1.38 0.00 0.00 54.79 51.97 3dkb n ASP 2028Cb 0.37 0.06 -0.05 0.00 -1.04 0.00 0.00 41.12 40.47 3dkb n ASP 2028CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3dkb s ILE 2029N -2.32 4.98 -0.29 5.18 1.01 -1.04 -1.28 121.20 127.43 3dkb s ILE 2029Ca 0.30 1.46 -0.19 0.00 0.00 0.00 0.00 60.65 62.21 3dkb s ILE 2029Cb 0.20 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3dkb s ILE 2029CO 0.45 0.14 0.57 0.12 0.00 0.00 0.00 174.94 176.22 3dkb s PHE 2030N 1.55 3.23 -0.86 3.97 2.19 0.79 -4.95 117.98 123.90 3dkb s PHE 2030Ca 0.36 0.55 0.01 0.00 0.33 0.00 0.00 56.93 58.18 3dkb s PHE 2030Cb -0.17 -2.88 0.33 0.00 -1.31 0.00 0.00 43.02 39.00 3dkb s PHE 2030CO 0.14 -0.41 1.53 1.63 1.83 0.00 0.00 175.22 179.95 3dkb n LYS 2031N 5.73 4.59 -1.58 10.12 5.02 -1.26 -1.85 118.16 138.94 3dkb n LYS 2031Ca -0.03 -4.69 -0.48 0.00 -2.02 0.00 0.00 58.31 51.09 3dkb n LYS 2031Cb 0.49 -2.38 -0.05 0.00 -0.02 0.00 0.00 35.03 33.07 3dkb n LYS 2031CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3dkb n PRO 2032N -0.15 1.68 -0.24 1.97 -0.04 -1.26 -4.77 135.00 132.18 3dkb n PRO 2032Ca 0.42 0.53 0.04 0.00 -0.04 0.00 0.00 63.50 64.45 3dkb n PRO 2032Cb 0.31 -2.69 0.14 0.00 -0.04 0.00 0.00 33.50 31.22 3dkb n PRO 2032CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3dkb n THR 2033N 6.48 0.70 0.02 0.52 -1.04 -1.26 -4.18 114.28 115.52 3dkb n THR 2033Ca 0.31 -0.46 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 3dkb n THR 2033Cb 0.30 -0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 68.72 3dkb n THR 2033CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3dkb h ASN 2034N 1.62 -0.06 0.00 8.00 -1.24 -1.91 -3.49 115.58 118.50 3dkb h ASN 2034Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3dkb h ASN 2034Cb 0.70 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.77 3dkb h ASN 2034CO 0.09 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.87 3dkb n GLY 2035N 1.17 -0.00 3.76 1.57 0.00 -1.26 -5.03 105.19 105.40 3dkb n GLY 2035Ca -0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3dkb n GLY 2035CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dkb s ILE 2036N -1.31 3.11 0.79 -0.61 1.10 -1.26 -3.24 121.20 119.77 3dkb s ILE 2036Ca 0.00 0.53 -0.12 0.00 -0.51 0.00 0.00 60.65 60.55 3dkb s ILE 2036Cb 0.00 -3.06 0.07 0.00 0.15 0.00 0.00 42.46 39.63 3dkb s ILE 2036CO 0.00 -0.31 1.13 0.27 -2.11 0.00 0.00 174.94 173.92 3dkb s ILE 2037N -2.26 2.78 0.38 2.00 -4.36 -1.26 -4.62 121.20 113.86 3dkb s ILE 2037Ca 0.68 0.29 -0.26 0.00 -0.26 0.00 0.00 60.65 61.10 3dkb s ILE 2037Cb -0.22 -2.65 -0.09 0.00 1.25 0.00 0.00 42.46 40.76 3dkb s ILE 2037CO 0.41 -0.30 1.20 -1.00 0.24 0.00 0.00 174.94 175.50 3dkb s HIS 2038N -2.60 3.06 0.12 1.37 3.76 -1.26 -4.72 115.29 115.01 3dkb s HIS 2038Ca 0.66 1.52 -0.15 0.00 -0.15 0.00 0.00 55.06 56.94 3dkb s HIS 2038Cb -0.21 -3.47 0.03 0.00 1.11 0.00 0.00 32.58 30.04 3dkb s HIS 2038CO 0.53 -1.47 0.37 -3.38 -0.85 0.00 0.00 174.74 169.94 3dkb s HIS 2039N -1.33 -0.15 0.45 1.40 -3.43 -0.77 -4.41 115.29 107.05 3dkb s HIS 2039Ca 0.55 -0.18 -0.19 0.00 -0.80 0.00 0.00 55.06 54.44 3dkb s HIS 2039Cb -0.33 0.21 -0.10 0.00 -1.43 0.00 0.00 32.58 30.93 3dkb s HIS 2039CO 0.42 -0.68 0.94 -0.06 -2.00 0.00 0.00 174.74 173.37 3dkb s PHE 2040N -3.80 3.37 -0.12 0.38 0.40 -0.97 -0.15 117.98 117.09 3dkb s PHE 2040Ca 0.03 1.51 0.08 0.00 -0.60 0.00 0.00 56.93 57.96 3dkb s PHE 2040Cb 0.02 -2.79 -0.23 0.00 0.51 0.00 0.00 43.02 40.52 3dkb s PHE 2040CO -0.12 -0.19 0.35 1.63 0.70 0.00 0.00 175.22 177.59 3dkb n LYS 2041N -0.98 0.68 0.00 0.44 5.02 -0.40 -4.86 118.16 118.05 3dkb n LYS 2041Ca 0.06 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3dkb n LYS 2041Cb 0.54 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3dkb n LYS 2041CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3dkb n THR 2042N -3.10 0.00 0.29 -0.18 5.66 -1.26 -4.93 114.28 110.76 3dkb n THR 2042Ca -0.28 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 60.91 3dkb n THR 2042Cb 1.07 0.00 0.80 0.00 -1.55 0.00 0.00 70.33 70.65 3dkb n THR 2042CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 3dkb h MET 2043N 0.00 0.00 0.00 1.09 2.86 -1.90 -2.62 114.93 114.36 3dkb h MET 2043Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkb h MET 2043Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dkb h MET 2043CO 0.00 0.01 0.00 -2.39 1.06 0.00 0.00 176.91 175.59 3dkb n HIS 2044N -3.12 0.50 1.61 -0.22 1.44 -1.26 -1.77 115.22 112.40 3dkb n HIS 2044Ca -0.00 0.20 0.14 0.00 -2.01 0.00 0.00 57.72 56.05 3dkb n HIS 2044Cb 0.26 -0.83 0.63 0.00 0.12 0.00 0.00 29.99 30.17 3dkb n HIS 2044CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dkb n ARG 2045N -1.96 1.42 -2.96 -1.40 1.74 -0.99 -4.89 116.66 107.62 3dkb n ARG 2045Ca 0.02 -0.67 -0.36 0.00 -0.77 0.00 0.00 57.85 56.08 3dkb n ARG 2045Cb 0.19 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 3dkb n ARG 2045CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dkb s TYR 2046N -2.04 3.59 -0.09 -1.55 4.12 -0.73 -4.96 117.35 115.68 3dkb s TYR 2046Ca 0.39 1.53 -0.07 0.00 0.02 0.00 0.00 57.07 58.94 3dkb s TYR 2046Cb 0.21 -2.74 0.03 0.00 -1.52 0.00 0.00 41.96 37.94 3dkb s TYR 2046CO 0.36 0.20 0.23 0.99 0.02 0.00 0.00 175.55 177.36 3dkb s THR 2047N -1.70 -0.01 0.18 -0.71 2.01 -1.24 -4.36 115.64 109.80 3dkb s THR 2047Ca 0.49 0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.63 3dkb s THR 2047Cb -0.16 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3dkb s THR 2047CO 0.20 0.02 -0.16 -1.48 -0.69 0.00 0.00 174.62 172.51 3dkb s LEU 2048N 0.43 2.73 0.01 4.42 0.05 -0.96 -1.04 118.68 124.32 3dkb s LEU 2048Ca -0.03 -0.68 0.03 0.00 0.05 0.00 0.00 54.13 53.50 3dkb s LEU 2048Cb -0.04 -1.46 -0.01 0.00 -2.05 0.00 0.00 46.19 42.63 3dkb s LEU 2048CO -0.02 0.12 -0.09 -1.61 -0.55 0.00 0.00 176.35 174.20 3dkb s GLU 2049N -2.66 0.69 0.53 1.48 2.02 -1.26 -4.55 118.70 114.95 3dkb s GLU 2049Ca 0.22 -0.47 -0.18 0.00 0.02 0.00 0.00 54.97 54.56 3dkb s GLU 2049Cb -0.09 -0.64 -0.06 0.00 0.10 0.00 0.00 34.13 33.44 3dkb s GLU 2049CO 0.12 0.16 1.04 -1.64 0.02 0.00 0.00 175.26 174.97 3dkb s MET 2050N -0.65 3.61 0.55 1.61 -1.94 -0.92 -4.79 119.30 116.78 3dkb s MET 2050Ca 0.00 1.25 -0.08 0.00 -1.71 0.00 0.00 55.69 55.16 3dkb s MET 2050Cb -0.05 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 3dkb s MET 2050CO 0.00 -0.58 0.90 -0.59 -0.01 0.00 0.00 175.02 174.74 3dkb s PHE 2051N -2.25 3.57 -0.13 -0.03 -0.12 -1.26 -0.65 117.98 117.11 3dkb s PHE 2051Ca 0.65 1.01 -0.29 0.00 -0.05 0.00 0.00 56.93 58.24 3dkb s PHE 2051Cb -0.15 -2.51 -0.02 0.00 -0.63 0.00 0.00 43.02 39.71 3dkb s PHE 2051CO 0.28 -0.49 1.15 0.50 -0.05 0.00 0.00 175.22 176.61 3dkb s ARG 2052N -4.95 4.31 -0.00 1.99 6.06 -1.26 -4.76 118.95 120.35 3dkb s ARG 2052Ca 0.51 1.56 0.22 0.00 -2.50 0.00 0.00 55.73 55.51 3dkb s ARG 2052Cb -0.11 -3.63 -0.18 0.00 0.06 0.00 0.00 34.95 31.10 3dkb s ARG 2052CO 0.49 -0.53 0.88 -2.37 -2.50 0.00 0.00 175.30 171.27 3dkb n THR 2053N 4.95 0.01 0.90 4.11 5.66 -1.26 -4.28 114.28 124.37 3dkb n THR 2053Ca 0.12 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3dkb n THR 2053Cb 0.46 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 3dkb n THR 2053CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dkb n GLN 2055N -0.29 2.38 -4.37 0.00 10.64 -1.26 -4.99 117.38 119.49 3dkb n GLN 2055Ca 0.00 -1.86 -0.24 0.00 -1.83 0.00 0.00 57.00 53.06 3dkb n GLN 2055Cb 0.04 -1.26 -0.09 0.00 -0.86 0.00 0.00 30.24 28.07 3dkb n GLN 2055CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3dkb s PHE 2056N -0.98 2.50 0.61 2.61 2.99 -0.47 -5.10 117.98 120.14 3dkb s PHE 2056Ca 0.21 -0.27 -0.19 0.00 0.00 0.00 0.00 56.93 56.67 3dkb s PHE 2056Cb 0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 43.02 41.97 3dkb s PHE 2056CO 0.15 0.62 1.26 0.00 -0.00 0.00 0.00 175.22 177.26 3dkb h PRO 2058N 0.77 -0.42 -0.92 0.00 0.11 -1.98 0.38 132.00 129.94 3dkb h PRO 2058Ca -0.50 0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.85 3dkb h PRO 2058Cb 1.33 0.10 -0.07 0.00 0.11 0.00 0.00 31.00 32.47 3dkb h PRO 2058CO 0.54 -0.28 0.61 1.96 -0.21 0.00 0.00 178.00 180.62 3dkb h GLN 2059N -0.44 0.37 0.16 1.05 4.20 -2.01 -1.26 115.11 117.18 3dkb h GLN 2059Ca 0.09 -0.02 -0.27 0.00 0.06 0.00 0.00 58.65 58.50 3dkb h GLN 2059Cb 0.58 -0.08 0.02 0.00 0.30 0.00 0.00 27.48 28.30 3dkb h GLN 2059CO -0.37 0.24 -1.29 0.35 -0.67 0.00 0.00 178.83 177.10 3dkb h PHE 2060N 0.38 0.63 -0.95 2.96 3.04 -1.73 -3.20 116.94 118.08 3dkb h PHE 2060Ca 0.48 -0.46 0.20 0.00 3.98 0.00 0.00 57.97 62.18 3dkb h PHE 2060Cb 1.25 -0.03 -0.11 0.00 2.56 0.00 0.00 35.95 39.62 3dkb h PHE 2060CO -0.00 1.50 0.52 -0.09 -2.02 0.00 0.00 178.31 178.21 3dkb h ARG 2061N -0.17 0.58 -0.15 1.11 2.43 0.83 0.31 114.38 119.32 3dkb h ARG 2061Ca -0.25 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.78 3dkb h ARG 2061Cb 1.86 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.27 3dkb h ARG 2061CO 0.15 0.38 -0.37 1.49 -1.51 0.00 0.00 179.97 180.12 3dkb h GLU 2062N 0.60 0.32 -0.61 0.20 4.81 -1.39 -2.47 114.58 116.04 3dkb h GLU 2062Ca 0.57 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 3dkb h GLU 2062Cb 0.97 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3dkb h GLU 2062CO -0.44 0.65 0.39 0.82 -0.73 0.00 0.00 179.01 179.70 3dkb h ILE 2063N 0.28 1.11 0.16 2.32 2.04 -0.38 -0.26 117.51 122.77 3dkb h ILE 2063Ca 0.03 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3dkb h ILE 2063Cb 0.78 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3dkb h ILE 2063CO 0.06 0.14 -0.08 0.40 0.00 0.00 0.00 178.15 178.68 3dkb h ILE 2064N 0.78 0.98 -0.86 -0.67 2.04 -1.30 -2.98 117.51 115.50 3dkb h ILE 2064Ca 0.24 -0.84 0.11 0.00 1.00 0.00 0.00 64.86 65.37 3dkb h ILE 2064Cb -0.02 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 3dkb h ILE 2064CO -0.08 0.19 0.49 0.45 0.00 0.00 0.00 178.15 179.19 3dkb h HIS 2065N -0.63 0.87 -0.25 1.37 3.86 -1.30 0.59 115.15 119.66 3dkb h HIS 2065Ca -0.02 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3dkb h HIS 2065Cb 0.47 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 3dkb h HIS 2065CO 0.05 0.31 0.01 -0.22 0.86 0.00 0.00 177.93 178.95 3dkb h LYS 2066N 0.77 0.37 0.15 2.45 1.63 -1.08 -2.32 116.57 118.54 3dkb h LYS 2066Ca 0.43 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 3dkb h LYS 2066Cb 0.47 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3dkb h LYS 2066CO -0.28 0.39 -0.07 0.00 -3.45 0.00 0.00 179.45 176.04 3dkb h ALA 2067N 1.66 -0.20 0.09 5.00 0.00 -0.76 -3.41 119.26 121.64 3dkb h ALA 2067Ca 0.09 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 3dkb h ALA 2067Cb 0.22 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dkb h ALA 2067CO 0.00 -0.22 -1.53 -0.07 0.00 0.00 0.00 179.25 177.43 3dkb h LEU 2068N -0.98 0.31 -9.76 0.00 3.38 -1.33 -3.42 115.31 103.52 3dkb h LEU 2068Ca -0.02 -0.45 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 3dkb h LEU 2068Cb 0.42 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3dkb h LEU 2068CO 0.03 1.38 -0.09 -0.63 0.09 0.00 0.00 178.44 179.23 3dkb s ILE 2069N -2.62 4.85 -1.03 1.22 1.01 -0.87 -1.51 121.20 122.25 3dkb s ILE 2069Ca -0.08 0.96 -0.20 0.00 0.00 0.00 0.00 60.65 61.32 3dkb s ILE 2069Cb 0.07 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.85 3dkb s ILE 2069CO 0.84 0.41 1.35 -0.62 0.00 0.00 0.00 174.94 176.92 3dkb s ASP 2070N -1.41 6.63 0.43 3.58 -1.08 -0.25 -4.71 116.67 119.86 3dkb s ASP 2070Ca 0.32 -1.92 0.10 0.00 -0.52 0.00 0.00 52.55 50.54 3dkb s ASP 2070Cb -0.17 -2.49 0.96 0.00 -1.46 0.00 0.00 42.92 39.76 3dkb s ASP 2070CO 0.18 -1.23 2.05 0.03 0.52 0.00 0.00 175.17 176.72 3dkb h ARG 2071N 8.97 0.44 0.15 4.34 -0.00 -1.88 -2.09 114.38 124.30 3dkb h ARG 2071Ca 0.22 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.66 3dkb h ARG 2071Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.86 3dkb h ARG 2071CO 1.29 0.29 -0.07 -0.91 0.00 0.00 0.00 179.97 180.56 3dkb h ASN 2072N 0.45 -0.18 -0.24 7.04 2.35 -1.99 -1.13 115.58 121.87 3dkb h ASN 2072Ca 0.16 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3dkb h ASN 2072Cb 0.10 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3dkb h ASN 2072CO -0.04 0.05 -0.22 0.40 -1.65 0.00 0.00 177.43 175.97 3dkb h ILE 2073N -0.41 1.27 0.43 2.81 2.04 -1.97 -1.24 117.51 120.44 3dkb h ILE 2073Ca -0.02 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3dkb h ILE 2073Cb 0.32 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3dkb h ILE 2073CO 0.03 0.44 -0.42 1.56 0.00 0.00 0.00 178.15 179.76 3dkb h GLN 2074N 0.62 -0.83 -0.04 2.37 1.08 -1.32 -0.63 115.11 116.37 3dkb h GLN 2074Ca 0.09 0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 3dkb h GLN 2074Cb 0.71 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 3dkb h GLN 2074CO 0.05 -0.55 -0.15 0.00 -0.95 0.00 0.00 178.83 177.24 3dkb h ALA 2075N -0.53 -0.14 0.08 3.87 0.00 -1.13 -0.70 119.26 120.71 3dkb h ALA 2075Ca -0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dkb h ALA 2075Cb 0.76 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3dkb h ALA 2075CO -0.06 -0.63 -0.26 1.15 0.00 0.00 0.00 179.25 179.45 3dkb h THR 2076N -0.23 0.42 -0.12 0.00 2.02 -1.08 0.25 112.91 114.17 3dkb h THR 2076Ca 0.06 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 3dkb h THR 2076Cb 0.31 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3dkb h THR 2076CO -0.17 0.00 -0.24 -0.07 0.37 0.00 0.00 175.52 175.41 3dkb h LEU 2077N -0.45 0.21 -0.06 2.58 3.38 -1.02 -2.82 115.31 117.12 3dkb h LEU 2077Ca 0.04 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3dkb h LEU 2077Cb 0.49 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.20 3dkb h LEU 2077CO -0.17 0.45 -0.65 -0.33 0.09 0.00 0.00 178.44 177.83 3dkb h GLU 2078N 0.20 0.55 -0.67 1.13 5.08 -0.81 -0.15 114.58 119.91 3dkb h GLU 2078Ca 0.03 -0.51 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3dkb h GLU 2078Cb 0.53 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 3dkb h GLU 2078CO 0.04 1.14 0.44 1.03 -1.00 0.00 0.00 179.01 180.65 3dkb h SER 2079N 0.15 0.52 -0.65 1.42 0.87 -0.36 0.20 113.55 115.70 3dkb h SER 2079Ca -0.06 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 3dkb h SER 2079Cb 1.31 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 63.06 3dkb h SER 2079CO 0.13 0.32 0.24 0.00 -0.53 0.00 0.00 176.83 176.99 3dkb n GLN 2080N -4.48 3.39 -2.59 2.24 10.64 -1.08 -4.90 117.38 120.60 3dkb n GLN 2080Ca 0.10 -2.65 -0.12 0.00 -1.83 0.00 0.00 57.00 52.50 3dkb n GLN 2080Cb 0.30 -2.10 -0.00 0.00 -0.86 0.00 0.00 30.24 27.58 3dkb n GLN 2080CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3dkb n LYS 2081N -0.08 -2.52 0.08 2.61 4.76 0.06 -4.81 118.16 118.25 3dkb n LYS 2081Ca 0.36 0.49 0.11 0.00 -2.87 0.00 0.00 58.31 56.39 3dkb n LYS 2081Cb 1.26 -5.09 -0.04 0.00 -1.84 0.00 0.00 35.03 29.31 3dkb n LYS 2081CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3dkb n LYS 2082N -2.90 0.62 -4.20 1.97 4.76 -0.21 -4.55 118.16 113.65 3dkb n LYS 2082Ca -0.10 0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 3dkb n LYS 2082Cb 0.58 -1.76 -0.13 0.00 -1.84 0.00 0.00 35.03 31.88 3dkb n LYS 2082CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3dkb s LEU 2083N -5.22 2.12 -1.06 -0.35 2.96 -0.38 -4.82 118.68 111.94 3dkb s LEU 2083Ca -0.02 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3dkb s LEU 2083Cb 0.10 -0.33 0.00 0.00 0.50 0.00 0.00 46.19 46.46 3dkb s LEU 2083CO 0.82 -0.02 0.00 0.59 -1.32 0.00 0.00 176.35 176.41 3dkb n ASN 2084N 2.24 -3.22 0.04 3.68 3.02 -1.26 -4.40 115.26 115.35 3dkb n ASN 2084Ca -0.17 0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 3dkb n ASN 2084Cb 0.56 -2.92 -0.01 0.00 -0.61 0.00 0.00 39.78 36.80 3dkb n ASN 2084CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3dkb h TRP 2085N 0.00 0.67 -2.83 3.10 5.08 -1.88 -3.44 115.95 116.65 3dkb h TRP 2085Ca -0.24 -0.31 -0.55 0.00 1.08 0.00 0.00 58.89 58.87 3dkb h TRP 2085Cb 0.94 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 27.00 3dkb h TRP 2085CO 0.50 1.09 0.90 0.00 -1.28 0.00 0.00 178.44 179.66 3dkb n ARG 2087N 5.87 0.18 0.00 0.00 0.63 -1.26 -3.88 116.66 118.20 3dkb n ARG 2087Ca 0.14 -0.08 0.11 0.00 -0.92 0.00 0.00 57.85 57.11 3dkb n ARG 2087Cb 0.43 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.89 3dkb n ARG 2087CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3dkb n GLU 2088N -1.34 1.01 -4.40 -0.14 0.00 -1.26 -4.96 120.64 109.55 3dkb n GLU 2088Ca 0.08 -0.80 -0.24 0.00 0.00 0.00 0.00 57.16 56.19 3dkb n GLU 2088Cb 0.33 -1.48 -0.09 0.00 0.00 0.00 0.00 31.44 30.19 3dkb n GLU 2088CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3dkb s VAL 2089N -2.55 2.82 0.75 3.84 -7.23 -1.25 -3.04 120.40 113.74 3dkb s VAL 2089Ca 0.18 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 3dkb s VAL 2089Cb 0.18 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.70 3dkb s VAL 2089CO 0.60 -0.33 1.21 -0.13 -0.31 0.00 0.00 175.10 176.14 3dkb s ARG 2090N -3.39 2.00 0.26 4.82 1.81 -0.18 -4.82 118.95 119.45 3dkb s ARG 2090Ca 0.29 1.77 -0.22 0.00 -1.72 0.00 0.00 55.73 55.85 3dkb s ARG 2090Cb -0.06 -1.81 -0.09 0.00 -0.45 0.00 0.00 34.95 32.53 3dkb s ARG 2090CO 0.16 -1.95 0.81 0.21 -0.68 0.00 0.00 175.30 173.85 3dkb s LYS 2091N -3.96 4.37 0.02 3.54 2.20 -1.26 -4.87 119.74 119.78 3dkb s LYS 2091Ca 0.74 1.04 0.03 0.00 -0.36 0.00 0.00 55.97 57.42 3dkb s LYS 2091Cb -0.29 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3dkb s LYS 2091CO 0.47 0.34 -0.03 -0.51 -0.36 0.00 0.00 175.35 175.26 3dkb s LEU 2092N -2.03 3.35 0.03 5.43 1.43 -1.26 -1.91 118.68 123.72 3dkb s LEU 2092Ca 0.46 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3dkb s LEU 2092Cb -0.17 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3dkb s LEU 2092CO 0.22 0.26 -0.22 0.54 0.23 0.00 0.00 176.35 177.39 3dkb s VAL 2093N -1.08 1.72 -0.26 -1.59 0.11 0.16 -4.91 120.40 114.55 3dkb s VAL 2093Ca 0.19 -1.13 -0.16 0.00 -2.93 0.00 0.00 61.98 57.95 3dkb s VAL 2093Cb -0.11 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 3dkb s VAL 2093CO 0.10 0.31 0.42 0.00 -3.33 0.00 0.00 175.10 172.60 3dkb s ALA 2094N -0.71 3.57 0.01 1.54 0.00 -1.25 -1.64 121.76 123.28 3dkb s ALA 2094Ca 0.08 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 3dkb s ALA 2094Cb -0.09 -2.76 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 3dkb s ALA 2094CO 0.01 -0.66 0.55 -0.51 0.00 0.00 0.00 175.76 175.16 3dkb s LEU 2095N 2.09 4.45 0.37 0.00 1.43 -1.07 -1.10 118.68 124.86 3dkb s LEU 2095Ca 0.17 1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 54.15 3dkb s LEU 2095Cb -0.16 -2.85 -0.11 0.00 0.03 0.00 0.00 46.19 43.10 3dkb s LEU 2095CO 0.09 0.18 1.24 0.29 0.23 0.00 0.00 176.35 178.39 3dkb n LYS 2096N 2.34 1.95 -3.82 1.70 5.02 -0.57 -4.13 118.16 120.64 3dkb n LYS 2096Ca -0.09 0.69 -0.13 0.00 -2.02 0.00 0.00 58.31 56.76 3dkb n LYS 2096Cb 0.51 -2.29 -0.14 0.00 -0.02 0.00 0.00 35.03 33.09 3dkb n LYS 2096CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3dkb s THR 2097N -1.14 -0.02 0.11 -0.18 -4.23 -1.26 -4.96 115.64 103.97 3dkb s THR 2097Ca 0.58 0.06 -0.32 0.00 -1.18 0.00 0.00 61.69 60.84 3dkb s THR 2097Cb -0.56 -0.10 -0.11 0.00 1.34 0.00 0.00 72.50 73.07 3dkb s THR 2097CO 0.60 0.03 1.82 -3.20 -0.54 0.00 0.00 174.62 173.32 3dkb n ASN 2098N 3.41 3.91 -3.44 3.99 2.85 -1.26 -4.89 115.26 119.84 3dkb n ASN 2098Ca -0.17 1.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.90 3dkb n ASN 2098Cb 0.57 -1.52 0.01 0.00 1.24 0.00 0.00 39.78 40.07 3dkb n ASN 2098CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3dkb n GLY 2099N 4.16 5.59 1.32 8.20 0.00 -1.26 -3.92 105.19 119.29 3dkb n GLY 2099Ca 0.18 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 43.96 3dkb n GLY 2099CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dkb n ASP 2100N 0.71 3.86 0.00 1.61 5.75 -1.26 -4.86 116.55 122.36 3dkb n ASP 2100Ca 0.54 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3dkb n ASP 2100Cb 0.27 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3dkb n ASP 2100CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dkb n GLY 2101N 0.69 0.84 0.14 6.12 0.00 -1.26 -0.70 105.19 111.03 3dkb n GLY 2101Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3dkb n GLY 2101CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dkb n ASN 2102N 0.00 2.24 0.29 1.61 5.15 -1.26 -4.18 115.26 119.12 3dkb n ASN 2102Ca 0.00 -3.16 0.15 0.00 -0.60 0.00 0.00 54.58 50.97 3dkb n ASN 2102Cb 0.00 -0.44 0.90 0.00 -0.53 0.00 0.00 39.78 39.72 3dkb n ASN 2102CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dkb h LEU 2104N 0.00 0.87 -0.21 0.00 5.85 -1.87 0.24 115.31 120.19 3dkb h LEU 2104Ca -0.00 -0.28 -0.22 0.00 0.84 0.00 0.00 57.88 58.22 3dkb h LEU 2104Cb 0.04 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 40.85 3dkb h LEU 2104CO 0.00 0.93 -0.82 0.24 -0.34 0.00 0.00 178.44 178.45 3dkb h MET 2105N 0.77 0.63 -0.23 1.25 2.86 -1.77 -1.15 114.93 117.29 3dkb h MET 2105Ca 0.16 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 3dkb h MET 2105Cb 0.46 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3dkb h MET 2105CO 0.02 1.17 0.08 0.45 1.06 0.00 0.00 176.91 179.68 3dkb h HIS 2106N 0.41 0.37 0.24 -0.22 3.86 -1.16 0.24 115.15 118.88 3dkb h HIS 2106Ca -0.06 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 3dkb h HIS 2106Cb 1.44 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.80 3dkb h HIS 2106CO 0.07 0.42 -0.15 0.00 0.86 0.00 0.00 177.93 179.13 3dkb h ALA 2107N 0.91 -0.37 0.06 2.45 0.00 -0.54 -0.50 119.26 121.27 3dkb h ALA 2107Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dkb h ALA 2107Cb 0.22 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3dkb h ALA 2107CO -0.00 -0.72 -0.12 1.15 0.00 0.00 0.00 179.25 179.56 3dkb h THR 2108N -0.38 0.72 -0.67 0.00 2.02 -1.11 -2.10 112.91 111.39 3dkb h THR 2108Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.22 3dkb h THR 2108Cb 0.32 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 3dkb h THR 2108CO 0.02 0.00 0.36 0.28 0.37 0.00 0.00 175.52 176.55 3dkb h SER 2109N -0.23 0.52 -0.36 4.18 0.02 -0.44 -2.34 113.55 114.90 3dkb h SER 2109Ca 0.02 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3dkb h SER 2109Cb 0.25 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3dkb h SER 2109CO -0.07 0.33 -0.04 1.56 -1.14 0.00 0.00 176.83 177.47 3dkb h GLN 2110N 0.66 0.76 -0.33 3.45 4.20 -0.32 0.96 115.11 124.48 3dkb h GLN 2110Ca 0.31 -0.22 0.07 0.00 0.06 0.00 0.00 58.65 58.86 3dkb h GLN 2110Cb 0.23 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 3dkb h GLN 2110CO -0.20 0.80 -0.08 -0.92 -0.67 0.00 0.00 178.83 177.76 3dkb h TYR 2111N 0.70 -0.17 0.00 2.96 3.20 -0.82 -1.54 116.97 121.31 3dkb h TYR 2111Ca 0.13 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.80 3dkb h TYR 2111Cb 0.50 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 3dkb h TYR 2111CO 0.02 -0.14 -1.69 -1.33 -1.64 0.00 0.00 178.16 173.39 3dkb n MET 2112N -5.26 0.64 -0.04 1.82 0.00 -1.19 -2.26 117.12 110.83 3dkb n MET 2112Ca 0.01 0.19 -0.04 0.00 0.00 0.00 0.00 57.70 57.86 3dkb n MET 2112Cb 0.19 -1.75 -0.06 0.00 0.00 0.00 0.00 33.22 31.60 3dkb n MET 2112CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3dkb n TRP 2113N -2.89 0.00 0.00 2.03 8.01 0.33 -3.64 117.44 121.28 3dkb n TRP 2113Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3dkb n TRP 2113Cb 0.94 -0.36 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 3dkb n TRP 2113CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dkb n GLY 2114N 2.55 1.31 3.78 6.99 0.00 -0.59 -4.77 105.19 114.46 3dkb n GLY 2114Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 3dkb n GLY 2114CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dkb s VAL 2115N -2.30 4.25 0.63 1.61 -7.23 -1.26 -3.88 120.40 112.23 3dkb s VAL 2115Ca 0.00 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3dkb s VAL 2115Cb 0.00 -3.25 0.08 0.00 0.56 0.00 0.00 36.38 33.77 3dkb s VAL 2115CO 0.00 -0.27 0.88 -1.10 -0.31 0.00 0.00 175.10 174.30 3dkb s GLN 2116N -3.55 2.12 -0.69 4.82 -0.21 -1.26 -1.85 119.66 119.04 3dkb s GLN 2116Ca 0.32 -0.97 -0.06 0.00 0.02 0.00 0.00 55.36 54.66 3dkb s GLN 2116Cb -0.08 -2.42 -0.09 0.00 1.00 0.00 0.00 33.01 31.42 3dkb s GLN 2116CO 0.23 -1.07 3.08 -3.47 -2.12 0.00 0.00 175.29 171.94 3dkb n ASP 2117N -2.58 6.78 -0.25 5.90 4.64 -1.26 -4.57 116.55 125.22 3dkb n ASP 2117Ca 0.12 -2.78 0.03 0.00 -1.38 0.00 0.00 54.79 50.78 3dkb n ASP 2117Cb 0.60 -1.40 0.26 0.00 -1.04 0.00 0.00 41.12 39.55 3dkb n ASP 2117CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 3dkb h THR 2118N 2.32 1.10 -0.31 5.18 1.35 -1.96 -1.44 112.91 119.15 3dkb h THR 2118Ca 0.48 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 3dkb h THR 2118Cb 0.85 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3dkb h THR 2118CO 0.94 0.18 0.00 0.47 -0.25 0.00 0.00 175.52 176.85 3dkb n ASP 2119N -4.46 2.22 -2.36 5.36 10.43 -1.26 -4.93 116.55 121.55 3dkb n ASP 2119Ca 0.11 -1.87 -0.18 0.00 2.57 0.00 0.00 54.79 55.42 3dkb n ASP 2119Cb 0.14 -0.20 -0.01 0.00 1.84 0.00 0.00 41.12 42.89 3dkb n ASP 2119CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3dkb n LEU 2120N 0.69 -1.67 0.11 0.64 4.77 -0.54 -4.89 117.00 116.11 3dkb n LEU 2120Ca 0.16 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 3dkb n LEU 2120Cb 0.39 -2.68 -0.08 0.00 -2.33 0.00 0.00 43.42 38.72 3dkb n LEU 2120CO 0.12 -0.24 0.75 0.58 -1.33 0.00 0.00 177.39 177.27 3dkb h VAL 2121N 0.00 0.90 -0.21 4.08 2.07 -1.92 0.17 116.25 121.35 3dkb h VAL 2121Ca -0.43 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3dkb h VAL 2121Cb 1.31 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3dkb h VAL 2121CO 0.51 0.07 -0.01 0.25 0.02 0.00 0.00 177.57 178.40 3dkb h LEU 2122N -0.35 0.37 -1.79 2.57 5.85 -1.91 0.33 115.31 120.38 3dkb h LEU 2122Ca -0.02 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3dkb h LEU 2122Cb 0.27 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3dkb h LEU 2122CO 0.04 0.61 0.15 -0.09 -0.34 0.00 0.00 178.44 178.81 3dkb h ARG 2123N 0.13 0.28 -0.07 1.25 9.65 -1.91 -1.72 114.38 121.99 3dkb h ARG 2123Ca 0.06 -0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 58.76 3dkb h ARG 2123Cb 0.42 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3dkb h ARG 2123CO 0.01 0.19 -0.59 0.87 2.80 0.00 0.00 179.97 183.25 3dkb h LYS 2124N 0.29 0.52 -0.85 0.20 1.57 -0.29 -3.06 116.57 114.95 3dkb h LYS 2124Ca 0.09 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3dkb h LYS 2124Cb -0.00 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3dkb h LYS 2124CO -0.02 1.10 0.54 0.00 -0.57 0.00 0.00 179.45 180.50 3dkb h ALA 2125N 0.43 1.35 0.45 3.86 0.00 -0.25 0.03 119.26 125.12 3dkb h ALA 2125Ca -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3dkb h ALA 2125Cb 1.25 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3dkb h ALA 2125CO 0.12 0.58 -0.26 1.25 0.00 0.00 0.00 179.25 180.94 3dkb h LEU 2126N 1.17 -0.65 -1.13 0.00 5.85 -1.38 -0.79 115.31 118.38 3dkb h LEU 2126Ca 0.31 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 3dkb h LEU 2126Cb -0.09 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3dkb h LEU 2126CO -0.06 -0.42 0.34 0.15 -0.34 0.00 0.00 178.44 178.10 3dkb h PHE 2127N -0.67 0.93 -0.40 1.25 3.57 -1.40 -1.73 116.94 118.48 3dkb h PHE 2127Ca -0.05 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3dkb h PHE 2127Cb 0.55 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3dkb h PHE 2127CO -0.08 0.67 0.24 0.77 -2.23 0.00 0.00 178.31 177.68 3dkb h SER 2128N 0.94 0.49 -0.18 0.41 0.02 -0.73 -2.31 113.55 112.18 3dkb h SER 2128Ca 0.24 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3dkb h SER 2128Cb 0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3dkb h SER 2128CO -0.03 0.40 0.11 0.74 -1.14 0.00 0.00 176.83 176.91 3dkb h THR 2129N 0.53 1.07 0.00 -2.27 2.02 -0.72 0.36 112.91 113.90 3dkb h THR 2129Ca 0.15 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3dkb h THR 2129Cb 0.00 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3dkb h THR 2129CO -0.03 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.11 3dkb n LEU 2130N -4.94 0.00 -0.00 2.58 4.77 -0.69 -2.56 117.00 116.16 3dkb n LEU 2130Ca -0.04 0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 56.15 3dkb n LEU 2130Cb 0.05 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3dkb n LEU 2130CO 0.34 -0.10 -0.53 1.17 -1.33 0.00 0.00 177.39 176.94 3dkb n LYS 2131N -1.21 0.82 -0.79 3.23 3.00 -0.88 -4.80 118.16 117.53 3dkb n LYS 2131Ca 0.09 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.37 3dkb n LYS 2131Cb 0.11 -1.02 0.20 0.00 0.00 0.00 0.00 35.03 34.33 3dkb n LYS 2131CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3dkb n GLU 2132N -2.42 1.85 -4.10 1.64 1.02 0.12 -5.01 120.64 113.74 3dkb n GLU 2132Ca -0.01 -3.19 -0.10 0.00 -0.02 0.00 0.00 57.16 53.84 3dkb n GLU 2132Cb 0.52 -1.81 -0.09 0.00 -0.02 0.00 0.00 31.44 30.04 3dkb n GLU 2132CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dkb s THR 2133N -3.24 0.09 -0.25 2.62 2.01 -1.06 -4.86 115.64 110.96 3dkb s THR 2133Ca 0.44 -1.77 -0.25 0.00 0.31 0.00 0.00 61.69 60.42 3dkb s THR 2133Cb 0.40 -2.00 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 3dkb s THR 2133CO -0.00 -0.41 0.87 -0.62 -0.69 0.00 0.00 174.62 173.77 3dkb s ASP 2134N -3.03 6.88 -0.22 3.53 3.68 -1.20 -4.87 116.67 121.43 3dkb s ASP 2134Ca 0.22 1.08 0.14 0.00 2.13 0.00 0.00 52.55 56.12 3dkb s ASP 2134Cb 0.06 -2.46 0.51 0.00 -1.45 0.00 0.00 42.92 39.59 3dkb s ASP 2134CO 0.01 -0.56 1.44 0.35 0.13 0.00 0.00 175.17 176.54 3dkb n THR 2135N 5.30 2.39 -0.12 1.71 -2.24 -1.26 -4.67 114.28 115.39 3dkb n THR 2135Ca 0.07 -2.23 -0.08 0.00 -2.27 0.00 0.00 64.05 59.55 3dkb n THR 2135Cb 0.47 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 3dkb n THR 2135CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3dkb h ARG 2136N 1.38 0.45 -0.26 -0.78 3.08 -1.98 0.53 114.38 116.80 3dkb h ARG 2136Ca 0.10 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 3dkb h ARG 2136Cb 1.54 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 3dkb h ARG 2136CO 0.29 0.30 -0.39 -0.91 -1.07 0.00 0.00 179.97 178.19 3dkb h ASN 2137N 0.47 0.65 -0.04 7.04 4.21 -1.99 -1.29 115.58 124.62 3dkb h ASN 2137Ca 0.15 -0.28 -0.01 0.00 1.21 0.00 0.00 56.30 57.36 3dkb h ASN 2137Cb -0.01 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.01 3dkb h ASN 2137CO -0.06 0.97 -0.03 -0.26 -1.29 0.00 0.00 177.43 176.75 3dkb h PHE 2138N 0.50 0.11 -0.85 1.19 -1.00 -1.76 -1.73 116.94 113.41 3dkb h PHE 2138Ca 0.05 -0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.86 3dkb h PHE 2138Cb 0.90 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 40.37 3dkb h PHE 2138CO 0.04 0.52 0.52 -0.22 -1.61 0.00 0.00 178.31 177.56 3dkb h LYS 2139N -0.33 0.90 0.90 1.51 3.64 0.08 -0.20 116.57 123.07 3dkb h LYS 2139Ca 0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3dkb h LYS 2139Cb 0.50 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3dkb h LYS 2139CO 0.01 0.60 -0.43 0.35 -2.27 0.00 0.00 179.45 177.70 3dkb h PHE 2140N 0.93 -1.12 -0.10 1.91 3.57 -1.15 -0.89 116.94 120.10 3dkb h PHE 2140Ca 0.38 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.88 3dkb h PHE 2140Cb 0.21 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3dkb h PHE 2140CO -0.04 -0.69 0.09 0.00 -2.23 0.00 0.00 178.31 175.44 3dkb h ARG 2141N -1.24 0.00 0.06 1.11 -0.00 -1.06 -1.16 114.38 112.09 3dkb h ARG 2141Ca -0.12 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.35 3dkb h ARG 2141Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.90 3dkb h ARG 2141CO 0.20 0.00 -0.03 2.35 0.00 0.00 0.00 179.97 182.50 3dkb h TRP 2142N 0.00 -0.07 -0.86 3.04 7.01 -0.72 -2.53 115.95 121.83 3dkb h TRP 2142Ca 0.05 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.08 3dkb h TRP 2142Cb 0.23 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.26 3dkb h TRP 2142CO 0.00 0.48 0.55 1.96 -2.79 0.00 0.00 178.44 178.65 3dkb h GLN 2143N -0.69 1.04 0.64 2.65 4.20 -0.66 -1.49 115.11 120.80 3dkb h GLN 2143Ca -0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3dkb h GLN 2143Cb 0.58 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3dkb h GLN 2143CO 0.01 0.69 -0.34 1.25 -0.67 0.00 0.00 178.83 179.77 3dkb h LEU 2144N 1.07 -0.81 -1.68 1.46 5.85 -1.26 -2.34 115.31 117.60 3dkb h LEU 2144Ca 0.34 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3dkb h LEU 2144Cb 0.01 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3dkb h LEU 2144CO -0.12 -0.55 0.00 -0.08 -0.34 0.00 0.00 178.44 177.35 3dkb h GLU 2145N -0.90 0.00 0.22 1.25 4.81 -1.42 -1.15 114.58 117.39 3dkb h GLU 2145Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3dkb h GLU 2145Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3dkb h GLU 2145CO 0.13 0.00 -0.10 0.77 -0.73 0.00 0.00 179.01 179.07 3dkb h SER 2146N 0.00 -0.25 0.58 1.04 0.02 -0.98 -2.46 113.55 111.51 3dkb h SER 2146Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3dkb h SER 2146Cb 0.11 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3dkb h SER 2146CO 0.00 0.19 0.00 -0.07 -1.14 0.00 0.00 176.83 175.81 3dkb h LEU 2147N -0.74 0.00 -1.54 5.07 3.38 -0.88 -3.48 115.31 117.11 3dkb h LEU 2147Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dkb h LEU 2147Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3dkb h LEU 2147CO 0.05 0.00 -0.29 0.29 0.09 0.00 0.00 178.44 178.57 3dkb n LYS 2148N -2.32 -1.64 -2.85 1.13 4.01 -0.49 -5.08 118.16 110.92 3dkb n LYS 2148Ca 0.01 1.52 -0.05 0.00 -0.51 0.00 0.00 58.31 59.29 3dkb n LYS 2148Cb 0.19 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.17 3dkb n LYS 2148CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3dkb s SER 2149N -0.17 -1.27 0.00 4.39 0.15 -1.24 -4.92 113.70 110.64 3dkb s SER 2149Ca 0.00 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.95 3dkb s SER 2149Cb 0.00 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 3dkb s SER 2149CO 0.00 -0.07 0.00 0.00 1.20 0.00 0.00 173.24 174.37 3dkb n GLN 2150N 3.12 0.00 0.00 5.44 6.02 -1.26 -4.68 117.38 126.02 3dkb n GLN 2150Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3dkb n GLN 2150Cb 0.56 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.82 3dkb n GLN 2150CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3dkb n GLU 2151N 0.00 0.15 -2.62 -1.09 2.13 -1.26 -4.88 120.64 113.06 3dkb n GLU 2151Ca 0.00 -0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 3dkb n GLU 2151Cb 0.00 -0.33 0.02 0.00 0.27 0.00 0.00 31.44 31.41 3dkb n GLU 2151CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3dkb n PHE 2152N -0.03 1.68 -3.15 4.31 1.16 -1.26 -4.99 117.46 115.18 3dkb n PHE 2152Ca 0.00 -2.86 0.05 0.00 -1.87 0.00 0.00 57.45 52.77 3dkb n PHE 2152Cb 0.14 -0.31 -0.00 0.00 -1.61 0.00 0.00 39.48 37.69 3dkb n PHE 2152CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3dkb s VAL 2153N -3.69 -0.50 0.00 1.97 0.11 -1.26 -4.77 120.40 112.26 3dkb s VAL 2153Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 3dkb s VAL 2153Cb 0.45 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3dkb s VAL 2153CO -0.01 0.00 0.00 -1.84 -3.33 0.00 0.00 175.10 169.92 3dkb n GLU 2154N 5.29 0.00 0.00 1.54 -0.00 -1.26 -4.83 120.64 121.38 3dkb n GLU 2154Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.20 3dkb n GLU 2154Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 3dkb n GLU 2154CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3dkb n TYR 2159N 9.03 0.00 0.00 -1.84 4.02 -1.26 -5.18 117.16 121.93 3dkb n TYR 2159Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3dkb n TYR 2159Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3dkb n TYR 2159CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3dkb n ASP 2160N 0.00 0.00 -2.90 7.72 5.68 -1.26 -5.10 116.55 120.69 3dkb n ASP 2160Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 3dkb n ASP 2160Cb 0.00 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 39.99 3dkb n ASP 2160CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3dkb s THR 2161N 2.01 -0.79 0.01 2.12 2.01 -1.26 -5.08 115.64 114.66 3dkb s THR 2161Ca 0.00 -0.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 3dkb s THR 2161Cb 0.00 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.51 3dkb s THR 2161CO 0.00 0.00 0.00 -1.14 -0.69 0.00 0.00 174.62 172.79 3dkb n ARG 2162N 3.48 -2.90 -0.08 4.92 3.00 -1.26 -5.03 116.66 118.79 3dkb n ARG 2162Ca 0.13 2.32 0.00 0.00 -0.00 0.00 0.00 57.85 60.31 3dkb n ARG 2162Cb 0.58 -2.87 0.00 0.00 0.00 0.00 0.00 32.46 30.18 3dkb n ARG 2162CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3dkb n ASN 2163N 1.02 0.00 0.00 6.15 5.15 -1.26 -5.03 115.26 121.29 3dkb n ASN 2163Ca -0.00 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.97 3dkb n ASN 2163Cb 0.01 -0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 3dkb n ASN 2163CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3dkb n TRP 2164N 0.00 0.00 0.11 1.20 5.03 -1.26 0.48 117.44 123.00 3dkb n TRP 2164Ca 0.00 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.57 3dkb n TRP 2164Cb 0.50 -0.34 0.23 0.00 -1.03 0.00 0.00 31.31 30.67 3dkb n TRP 2164CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3dkb n ASN 2165N -1.51 0.22 0.00 -0.99 3.02 -1.26 -2.70 115.26 112.04 3dkb n ASN 2165Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 3dkb n ASN 2165Cb 0.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3dkb n ASN 2165CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3dkb n ASP 2166N -1.79 0.00 0.18 6.41 9.92 -1.13 -3.98 116.55 126.16 3dkb n ASP 2166Ca -0.01 0.25 0.05 0.00 -0.53 0.00 0.00 54.79 54.55 3dkb n ASP 2166Cb 0.30 -0.35 0.25 0.00 -0.64 0.00 0.00 41.12 40.68 3dkb n ASP 2166CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3dkb h GLU 2167N 0.00 0.00 0.13 -1.24 4.81 0.24 0.11 114.58 118.63 3dkb h GLU 2167Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3dkb h GLU 2167Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3dkb h GLU 2167CO 0.00 0.00 -1.79 2.35 -0.73 0.00 0.00 179.01 178.84 3dkb h TRP 2168N 0.00 0.52 -0.82 0.92 2.91 -1.72 -3.34 115.95 114.42 3dkb h TRP 2168Ca 0.00 -0.38 0.05 0.00 1.13 0.00 0.00 58.89 59.69 3dkb h TRP 2168Cb 0.97 -0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.54 3dkb h TRP 2168CO 0.00 1.59 0.51 -0.44 -1.03 0.00 0.00 178.44 179.07 3dkb h ASP 2169N 0.08 0.82 0.31 2.65 5.19 -0.91 -0.28 116.42 124.28 3dkb h ASP 2169Ca -0.34 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 3dkb h ASP 2169Cb 2.05 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 41.40 3dkb h ASP 2169CO 0.14 0.54 0.00 0.78 -3.12 0.00 0.00 179.24 177.58 3dkb h ASN 2170N 0.96 0.00 1.12 6.45 4.21 -1.70 0.59 115.58 127.21 3dkb h ASN 2170Ca 0.35 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.69 3dkb h ASN 2170Cb 0.11 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 3dkb h ASN 2170CO -0.15 0.00 -0.80 -0.07 -1.29 0.00 0.00 177.43 175.12 3dkb h LEU 2171N 0.00 0.00 -0.39 1.61 3.38 -1.17 -2.79 115.31 115.95 3dkb h LEU 2171Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3dkb h LEU 2171Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dkb h LEU 2171CO 0.00 0.80 -0.80 0.40 0.09 0.00 0.00 178.44 178.93 3dkb h ILE 2172N 0.00 1.46 -0.40 1.22 2.04 -0.70 -3.08 117.51 118.05 3dkb h ILE 2172Ca -0.01 -2.41 -0.14 0.00 1.00 0.00 0.00 64.86 63.30 3dkb h ILE 2172Cb 1.57 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 3dkb h ILE 2172CO 0.10 0.71 -0.29 0.11 0.00 0.00 0.00 178.15 178.78 3dkb h LYS 2173N 0.14 0.86 0.00 2.37 1.57 -1.38 -2.74 116.57 117.38 3dkb h LYS 2173Ca -0.03 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 3dkb h LYS 2173Cb 1.39 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 3dkb h LYS 2173CO 0.12 1.03 -0.18 0.52 -0.57 0.00 0.00 179.45 180.38 3dkb h MET 2174N 0.73 0.00 0.00 3.15 2.86 -1.45 -1.24 114.93 118.97 3dkb h MET 2174Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3dkb h MET 2174Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 3dkb h MET 2174CO 0.07 0.18 0.00 0.00 1.06 0.00 0.00 176.91 178.22 3dkb h ALA 2175N 1.82 1.00 -2.36 6.32 0.00 -1.40 -3.41 119.26 121.23 3dkb h ALA 2175Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3dkb h ALA 2175Cb 0.41 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.31 3dkb h ALA 2175CO 0.02 0.00 0.34 -1.54 0.00 0.00 0.00 179.25 178.08 3dkb s SER 2176N -4.62 4.81 0.00 0.00 1.04 -0.47 -4.22 113.70 110.24 3dkb s SER 2176Ca 0.06 1.50 0.21 0.00 0.48 0.00 0.00 55.95 58.19 3dkb s SER 2176Cb 0.10 -2.29 1.13 0.00 0.10 0.00 0.00 66.02 65.06 3dkb s SER 2176CO 0.49 -1.79 1.74 0.35 0.98 0.00 0.00 173.24 175.01 3dkb n THR 2177N -3.34 0.03 -1.36 2.02 -2.24 -1.26 -4.61 114.28 103.52 3dkb n THR 2177Ca 0.07 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 3dkb n THR 2177Cb 0.55 -0.19 0.10 0.00 -2.10 0.00 0.00 70.33 68.69 3dkb n THR 2177CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dkb s ASP 2178N -1.63 4.20 -0.12 3.42 -0.00 -1.26 -4.93 116.67 116.35 3dkb s ASP 2178Ca 0.31 2.21 -0.08 0.00 -0.00 0.00 0.00 52.55 54.98 3dkb s ASP 2178Cb 0.15 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.45 3dkb s ASP 2178CO 0.24 -2.25 0.16 -0.89 -0.00 0.00 0.00 175.17 172.43 3dkb s THR 2179N -2.25 5.46 0.77 -1.27 2.01 -1.26 -3.94 115.64 115.15 3dkb s THR 2179Ca 0.70 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.86 3dkb s THR 2179Cb -0.25 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 68.87 3dkb s THR 2179CO 0.48 0.59 1.08 -2.84 -0.69 0.00 0.00 174.62 173.24 3dkb s PRO 2180N -0.83 2.34 -0.11 4.92 0.02 -1.26 -4.89 135.00 135.18 3dkb s PRO 2180Ca 0.15 0.83 -0.05 0.00 0.02 0.00 0.00 61.00 61.95 3dkb s PRO 2180Cb -0.12 -1.93 -0.16 0.00 0.02 0.00 0.00 34.50 32.31 3dkb s PRO 2180CO 0.04 -1.49 3.25 -0.12 -0.33 0.00 0.00 177.00 178.34 3dkb n MET 2181N -3.37 2.00 -3.72 5.54 1.56 -1.26 -4.64 117.12 113.22 3dkb n MET 2181Ca 0.07 -1.24 -0.23 0.00 -0.27 0.00 0.00 57.70 56.04 3dkb n MET 2181Cb 0.55 -1.93 0.03 0.00 2.15 0.00 0.00 33.22 34.01 3dkb n MET 2181CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3dkb n ALA 2182N 1.98 -2.10 0.52 -5.12 0.00 -1.26 -4.83 120.51 109.69 3dkb n ALA 2182Ca 0.40 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.77 3dkb n ALA 2182Cb 0.79 -2.29 0.43 0.00 0.00 0.00 0.00 19.45 18.38 3dkb n ALA 2182CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dkb n ARG 2183N -4.23 0.12 0.00 0.00 0.63 -1.26 -3.95 116.66 107.96 3dkb n ARG 2183Ca -0.27 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3dkb n ARG 2183Cb 0.67 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.87 3dkb n ARG 2183CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3dkb n SER 2184N -1.93 0.00 0.00 6.15 7.64 -1.26 -5.06 113.62 119.16 3dkb n SER 2184Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3dkb n SER 2184Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3dkb n SER 2184CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dkb n GLY 2185N 0.00 1.99 3.51 0.23 0.00 -1.25 -5.13 105.19 104.53 3dkb n GLY 2185Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3dkb n GLY 2185CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dkb s LEU 2186N 0.00 2.73 0.46 0.99 2.01 -1.26 -5.04 118.68 118.57 3dkb s LEU 2186Ca 0.00 -0.91 0.18 0.00 0.01 0.00 0.00 54.13 53.40 3dkb s LEU 2186Cb 0.00 -1.27 1.08 0.00 0.01 0.00 0.00 46.19 46.01 3dkb s LEU 2186CO 0.00 0.04 1.99 -0.61 1.01 0.00 0.00 176.35 178.78 3dkb h GLN 2187N 2.27 0.00 -4.97 1.70 4.15 -1.87 -3.40 115.11 112.98 3dkb h GLN 2187Ca -0.42 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 58.66 3dkb h GLN 2187Cb 1.25 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.80 3dkb h GLN 2187CO 0.59 0.19 -0.66 0.71 -1.93 0.00 0.00 178.83 177.73 3dkb s TYR 2188N -4.46 1.42 0.40 3.99 4.12 0.13 -4.40 117.35 118.55 3dkb s TYR 2188Ca -0.03 -0.96 -0.25 0.00 0.02 0.00 0.00 57.07 55.84 3dkb s TYR 2188Cb 0.15 -0.81 -0.08 0.00 -1.52 0.00 0.00 41.96 39.69 3dkb s TYR 2188CO 0.67 -0.11 1.12 -0.80 0.02 0.00 0.00 175.55 176.45 3dkb s ASN 2189N -3.25 6.59 0.39 2.29 0.01 -1.25 -4.38 114.94 115.34 3dkb s ASN 2189Ca 0.27 2.23 -0.24 0.00 -0.71 0.00 0.00 52.86 54.41 3dkb s ASN 2189Cb 0.06 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 39.02 3dkb s ASN 2189CO 0.07 -0.62 1.02 -0.44 -1.51 0.00 0.00 177.10 175.62 3dkb s SER 2190N -1.30 6.86 0.14 -1.22 0.01 -1.26 -4.59 113.70 112.33 3dkb s SER 2190Ca 0.57 1.95 0.05 0.00 1.31 0.00 0.00 55.95 59.83 3dkb s SER 2190Cb -0.27 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 3dkb s SER 2190CO 0.34 -0.42 0.11 -0.76 0.41 0.00 0.00 173.24 172.92 3dkb s LEU 2191N -2.65 3.77 0.00 2.44 1.43 -1.26 -4.88 118.68 117.52 3dkb s LEU 2191Ca 0.57 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3dkb s LEU 2191Cb -0.19 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.62 3dkb s LEU 2191CO 0.25 0.10 0.00 -1.84 0.23 0.00 0.00 176.35 175.09 3dkb n GLU 2192N -0.07 1.05 -0.36 1.70 0.28 -1.26 -5.01 120.64 116.97 3dkb n GLU 2192Ca -0.09 -2.86 -0.09 0.00 -0.16 0.00 0.00 57.16 53.96 3dkb n GLU 2192Cb 0.54 0.76 -0.09 0.00 1.43 0.00 0.00 31.44 34.08 3dkb n GLU 2192CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3dkb n GLU 2193N -0.98 -0.38 -0.28 3.44 4.71 -1.26 -0.47 120.64 125.42 3dkb n GLU 2193Ca -0.16 1.35 0.19 0.00 -0.01 0.00 0.00 57.16 58.53 3dkb n GLU 2193Cb 0.50 -1.99 0.48 0.00 -1.01 0.00 0.00 31.44 29.41 3dkb n GLU 2193CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 3dkb h ILE 2194N 0.00 0.65 -0.59 -3.67 6.09 -1.99 0.24 117.51 118.25 3dkb h ILE 2194Ca 0.14 -0.16 -0.03 0.00 -1.37 0.00 0.00 64.86 63.43 3dkb h ILE 2194Cb 0.35 0.14 -0.03 0.00 0.47 0.00 0.00 36.82 37.75 3dkb h ILE 2194CO -0.80 0.09 0.24 0.45 -3.07 0.00 0.00 178.15 175.06 3dkb h HIS 2195N 0.47 0.89 -0.47 2.19 3.86 -1.17 -0.79 115.15 120.14 3dkb h HIS 2195Ca 0.52 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.61 3dkb h HIS 2195Cb 1.19 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 3dkb h HIS 2195CO -0.00 0.71 0.05 0.82 0.86 0.00 0.00 177.93 180.37 3dkb h ILE 2196N 0.81 1.22 -0.18 2.45 2.04 -0.22 -0.85 117.51 122.78 3dkb h ILE 2196Ca 0.20 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3dkb h ILE 2196Cb 0.19 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3dkb h ILE 2196CO -0.02 0.31 0.06 0.15 0.00 0.00 0.00 178.15 178.65 3dkb h PHE 2197N 0.70 0.29 -0.89 1.37 3.04 -0.75 -1.48 116.94 119.22 3dkb h PHE 2197Ca 0.15 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.09 3dkb h PHE 2197Cb 0.35 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.73 3dkb h PHE 2197CO 0.02 0.37 0.59 0.28 -2.02 0.00 0.00 178.31 177.54 3dkb h VAL 2198N 0.12 1.19 -0.29 1.41 2.07 -0.92 -2.80 116.25 117.03 3dkb h VAL 2198Ca 0.06 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3dkb h VAL 2198Cb 0.21 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3dkb h VAL 2198CO -0.00 0.21 0.14 0.25 0.02 0.00 0.00 177.57 178.19 3dkb h LEU 2199N 1.17 0.21 -1.96 2.57 6.46 -0.72 -1.44 115.31 121.60 3dkb h LEU 2199Ca 0.34 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.10 3dkb h LEU 2199Cb -0.07 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 3dkb h LEU 2199CO -0.09 0.16 -0.06 0.00 -0.62 0.00 0.00 178.44 177.83 3dkb h ASN 2201N 0.00 0.78 -0.24 0.00 2.35 -1.18 0.34 115.58 117.63 3dkb h ASN 2201Ca -0.00 -0.82 -0.03 0.00 -0.55 0.00 0.00 56.30 54.90 3dkb h ASN 2201Cb 0.35 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3dkb h ASN 2201CO 0.01 1.63 0.06 0.40 -1.65 0.00 0.00 177.43 177.89 3dkb h ILE 2202N 0.15 1.16 0.00 2.81 2.04 -0.66 -1.13 117.51 121.88 3dkb h ILE 2202Ca -0.23 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3dkb h ILE 2202Cb 2.10 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3dkb h ILE 2202CO 0.26 0.21 -0.70 -0.07 0.00 0.00 0.00 178.15 177.85 3dkb h LEU 2203N 0.47 0.00 -1.46 1.44 3.38 -1.27 -2.59 115.31 115.28 3dkb h LEU 2203Ca 0.11 -0.21 -0.42 0.00 0.09 0.00 0.00 57.88 57.45 3dkb h LEU 2203Cb 0.21 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.00 3dkb h LEU 2203CO -0.00 0.10 -0.79 0.54 0.09 0.00 0.00 178.44 178.38 3dkb n ARG 2204N -2.16 -5.53 -3.69 1.13 1.74 0.10 -4.79 116.66 103.46 3dkb n ARG 2204Ca 0.03 0.65 -0.11 0.00 -0.77 0.00 0.00 57.85 57.65 3dkb n ARG 2204Cb 0.45 -5.40 -0.09 0.00 -1.02 0.00 0.00 32.46 26.40 3dkb n ARG 2204CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3dkb s ARG 2205N -6.13 0.53 0.33 5.56 3.52 -0.10 -1.53 118.95 121.14 3dkb s ARG 2205Ca 0.24 0.81 -0.28 0.00 -0.13 0.00 0.00 55.73 56.36 3dkb s ARG 2205Cb -0.12 0.15 -0.09 0.00 -1.56 0.00 0.00 34.95 33.33 3dkb s ARG 2205CO 0.80 -0.11 1.18 -1.25 -0.81 0.00 0.00 175.30 175.11 3dkb s PRO 2206N 0.86 4.39 -0.12 5.12 0.04 -1.26 -4.51 135.00 139.53 3dkb s PRO 2206Ca -0.05 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 3dkb s PRO 2206Cb -0.05 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 3dkb s PRO 2206CO -0.07 -0.05 -0.11 0.42 0.04 0.00 0.00 177.00 177.23 3dkb s ILE 2207N -1.23 3.27 -0.17 0.56 1.01 -0.44 0.29 121.20 124.48 3dkb s ILE 2207Ca 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.55 3dkb s ILE 2207Cb -0.34 -2.37 0.03 0.00 0.01 0.00 0.00 42.46 39.79 3dkb s ILE 2207CO 0.44 0.53 -0.12 -0.63 0.00 0.00 0.00 174.94 175.16 3dkb s ILE 2208N 0.14 1.56 -0.26 2.92 1.01 0.10 -0.06 121.20 126.61 3dkb s ILE 2208Ca -0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 3dkb s ILE 2208Cb -0.15 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3dkb s ILE 2208CO 0.04 0.30 0.15 -0.69 0.00 0.00 0.00 174.94 174.75 3dkb s VAL 2209N 1.46 5.11 -0.43 2.92 1.01 -0.61 -0.88 120.40 128.97 3dkb s VAL 2209Ca 0.02 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3dkb s VAL 2209Cb -0.14 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.86 3dkb s VAL 2209CO -0.09 0.30 0.43 -0.63 0.00 0.00 0.00 175.10 175.11 3dkb s ILE 2210N 1.50 5.11 0.29 2.22 1.01 0.95 -1.78 121.20 130.49 3dkb s ILE 2210Ca 0.07 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.31 3dkb s ILE 2210Cb -0.15 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3dkb s ILE 2210CO 0.08 -0.46 0.16 -0.94 0.00 0.00 0.00 174.94 173.78 3dkb s SER 2211N 1.96 5.12 -0.04 3.58 1.04 -1.26 -0.33 113.70 123.76 3dkb s SER 2211Ca 0.10 -0.47 -0.26 0.00 0.48 0.00 0.00 55.95 55.80 3dkb s SER 2211Cb -0.18 -1.08 -0.03 0.00 0.10 0.00 0.00 66.02 64.82 3dkb s SER 2211CO 0.12 -0.14 0.83 -0.62 0.98 0.00 0.00 173.24 174.42 3dkb s ASP 2212N -3.84 7.15 -0.17 7.02 2.15 -0.40 -4.93 116.67 123.67 3dkb s ASP 2212Ca 0.35 1.40 0.13 0.00 0.43 0.00 0.00 52.55 54.86 3dkb s ASP 2212Cb -0.06 -2.48 -0.24 0.00 -0.30 0.00 0.00 42.92 39.84 3dkb s ASP 2212CO 0.24 -0.20 0.19 2.29 -0.17 0.00 0.00 175.17 177.51 3dkb n LYS 2213N 3.94 0.67 -1.54 4.34 2.85 -1.26 -4.85 118.16 122.31 3dkb n LYS 2213Ca 0.02 0.10 -0.18 0.00 -1.05 0.00 0.00 58.31 57.21 3dkb n LYS 2213Cb 0.51 -1.59 -0.11 0.00 -0.65 0.00 0.00 35.03 33.19 3dkb n LYS 2213CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3dkb n MET 2214N -2.93 0.44 -2.68 -1.58 2.81 -1.26 -4.63 117.12 107.30 3dkb n MET 2214Ca -0.31 -0.57 -0.08 0.00 -1.81 0.00 0.00 57.70 54.94 3dkb n MET 2214Cb 1.11 -2.97 0.08 0.00 -0.71 0.00 0.00 33.22 30.72 3dkb n MET 2214CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dkb n LEU 2215N 15.15 -0.22 0.30 4.03 4.77 -1.26 -4.91 117.00 134.86 3dkb n LEU 2215Ca 0.52 -3.57 0.18 0.00 -0.03 0.00 0.00 56.01 53.11 3dkb n LEU 2215Cb 0.36 0.23 0.92 0.00 -2.33 0.00 0.00 43.42 42.59 3dkb n LEU 2215CO 0.70 1.72 1.07 -0.09 -1.33 0.00 0.00 177.39 179.46 3dkb h ARG 2216N 2.48 0.00 -0.46 3.23 2.43 -2.03 -1.73 114.38 118.30 3dkb h ARG 2216Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3dkb h ARG 2216Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3dkb h ARG 2216CO 0.21 0.03 0.00 -1.13 -1.51 0.00 0.00 179.97 177.57 3dkb n SER 2217N -3.24 5.07 -4.75 -3.80 3.41 -1.26 -5.01 113.62 104.04 3dkb n SER 2217Ca -0.02 -2.96 -0.34 0.00 -0.26 0.00 0.00 58.87 55.30 3dkb n SER 2217Cb 0.19 -0.63 0.06 0.00 -0.26 0.00 0.00 64.21 63.57 3dkb n SER 2217CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dkb s LEU 2218N -2.78 3.39 -0.34 1.04 0.20 -0.65 -4.99 118.68 114.54 3dkb s LEU 2218Ca 0.50 2.20 0.15 0.00 0.69 0.00 0.00 54.13 57.67 3dkb s LEU 2218Cb 0.39 -4.57 0.41 0.00 -0.43 0.00 0.00 46.19 41.99 3dkb s LEU 2218CO 0.13 -1.90 0.85 -0.62 -0.29 0.00 0.00 176.35 174.53 3dkb n GLU 2219N -2.44 1.07 -1.22 1.98 1.02 -1.26 -4.94 120.64 114.84 3dkb n GLU 2219Ca 0.12 -3.30 -0.28 0.00 -0.02 0.00 0.00 57.16 53.68 3dkb n GLU 2219Cb 0.51 -1.44 0.06 0.00 -0.02 0.00 0.00 31.44 30.54 3dkb n GLU 2219CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3dkb n SER 2220N 0.09 7.20 0.00 1.62 3.41 -1.26 -5.17 113.62 119.51 3dkb n SER 2220Ca 0.16 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 3dkb n SER 2220Cb 0.75 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3dkb n SER 2220CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dkb n GLY 2221N -0.35 2.80 0.00 5.00 0.00 -1.26 -5.14 105.19 106.24 3dkb n GLY 2221Ca 0.50 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3dkb n GLY 2221CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkb n PRO 2226N 0.00 0.00 -2.23 1.61 -0.02 -1.26 -5.24 135.00 127.86 3dkb n PRO 2226Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 3dkb n PRO 2226Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3dkb n PRO 2226CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3dkb n LEU 2227N 0.00 -5.06 -4.39 2.45 7.94 -1.26 -4.92 117.00 111.76 3dkb n LEU 2227Ca 0.00 0.23 -0.43 0.00 -1.11 0.00 0.00 56.01 54.70 3dkb n LEU 2227Cb 0.00 -2.27 0.00 0.00 0.53 0.00 0.00 43.42 41.69 3dkb n LEU 2227CO 0.00 -1.15 1.97 2.29 -1.11 0.00 0.00 177.39 179.39 3dkb n LYS 2228N -0.56 3.21 0.09 1.96 0.00 -1.26 -4.77 118.16 116.83 3dkb n LYS 2228Ca 0.05 -3.31 -0.02 0.00 -0.00 0.00 0.00 58.31 55.04 3dkb n LYS 2228Cb 0.29 -3.34 -0.05 0.00 -0.00 0.00 0.00 35.03 31.92 3dkb n LYS 2228CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3dkb h VAL 2229N 5.04 1.09 -3.30 0.58 2.07 -1.98 -3.47 116.25 116.28 3dkb h VAL 2229Ca 0.44 -2.61 -0.58 0.00 0.82 0.00 0.00 66.70 64.77 3dkb h VAL 2229Cb 0.82 2.50 0.15 0.00 -1.52 0.00 0.00 31.29 33.24 3dkb h VAL 2229CO 1.49 0.62 0.13 0.61 0.02 0.00 0.00 177.57 180.44 3dkb n GLY 2230N 1.31 -0.30 0.00 2.17 0.00 -1.26 -4.75 105.19 102.35 3dkb n GLY 2230Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dkb n GLY 2230CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkb n GLY 2231N 1.25 0.93 3.34 -0.02 0.00 -0.74 -4.75 105.19 105.21 3dkb n GLY 2231Ca 0.11 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 3dkb n GLY 2231CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkb s ILE 2232N -2.11 3.38 -0.37 -0.61 1.01 0.20 -1.58 121.20 121.13 3dkb s ILE 2232Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 3dkb s ILE 2232Cb 0.00 -2.52 0.07 0.00 0.01 0.00 0.00 42.46 40.02 3dkb s ILE 2232CO 0.00 0.45 0.15 -0.31 0.00 0.00 0.00 174.94 175.23 3dkb s TYR 2233N 1.17 3.34 -0.05 3.97 1.51 0.91 -1.66 117.35 126.54 3dkb s TYR 2233Ca 0.02 -1.70 -0.05 0.00 -1.01 0.00 0.00 57.07 54.33 3dkb s TYR 2233Cb -0.14 -2.63 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 3dkb s TYR 2233CO -0.01 -0.82 0.18 -0.51 -1.11 0.00 0.00 175.55 173.28 3dkb s LEU 2234N 1.34 4.38 -0.91 -1.29 1.43 -1.26 -1.33 118.68 121.04 3dkb s LEU 2234Ca 0.01 0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 53.48 3dkb s LEU 2234Cb -0.21 -2.40 -0.11 0.00 0.03 0.00 0.00 46.19 43.50 3dkb s LEU 2234CO 0.01 0.32 2.66 -0.81 0.23 0.00 0.00 176.35 178.76 3dkb n PRO 2235N 1.41 2.52 0.33 1.29 -0.04 -1.26 -4.72 135.00 134.53 3dkb n PRO 2235Ca -0.15 -1.53 0.16 0.00 -0.04 0.00 0.00 63.50 61.94 3dkb n PRO 2235Cb 0.54 -2.41 0.84 0.00 -0.04 0.00 0.00 33.50 32.42 3dkb n PRO 2235CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3dkb h LEU 2236N 6.96 0.00 0.00 1.53 4.07 -1.94 -1.12 115.31 124.81 3dkb h LEU 2236Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.49 3dkb h LEU 2236Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 3dkb h LEU 2236CO 1.24 0.00 0.00 1.41 -1.08 0.00 0.00 178.44 180.01 3dkb n HIS 2237N -2.90 0.00 -4.17 1.13 8.25 -1.26 -4.74 115.22 111.52 3dkb n HIS 2237Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 3dkb n HIS 2237Cb 0.37 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 3dkb n HIS 2237CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dkb s TRP 2238N -2.00 0.90 0.19 4.41 0.52 -0.42 -5.07 118.94 117.46 3dkb s TRP 2238Ca 0.24 -0.94 -0.20 0.00 0.02 0.00 0.00 56.10 55.22 3dkb s TRP 2238Cb 0.11 -0.52 -0.08 0.00 -1.15 0.00 0.00 33.47 31.83 3dkb s TRP 2238CO 0.18 -0.18 0.69 -1.25 0.02 0.00 0.00 176.95 176.42 3dkb s PRO 2239N -3.85 4.25 0.53 4.98 0.04 -1.26 -4.93 135.00 134.76 3dkb s PRO 2239Ca 0.13 0.84 0.20 0.00 0.04 0.00 0.00 61.00 62.22 3dkb s PRO 2239Cb 0.06 -2.97 1.11 0.00 0.04 0.00 0.00 34.50 32.73 3dkb s PRO 2239CO -0.04 0.46 1.58 0.00 0.04 0.00 0.00 177.00 179.04 3dkb h ALA 2240N 3.67 1.35 -0.01 8.56 0.00 -1.90 0.14 119.26 131.07 3dkb h ALA 2240Ca -0.48 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 3dkb h ALA 2240Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dkb h ALA 2240CO 0.65 -0.35 -0.87 -0.56 0.00 0.00 0.00 179.25 178.12 3dkb h GLN 2241N 0.00 0.31 -0.27 0.00 3.07 -1.91 -3.17 115.11 113.14 3dkb h GLN 2241Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 58.65 58.42 3dkb h GLN 2241Cb 0.78 0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.43 3dkb h GLN 2241CO 0.00 1.01 0.00 0.39 0.09 0.00 0.00 178.83 180.32 3dkb n GLU 2242N -3.73 1.86 -4.44 0.06 1.02 0.48 -4.92 120.64 110.98 3dkb n GLU 2242Ca -0.05 -1.32 -0.24 0.00 -0.02 0.00 0.00 57.16 55.53 3dkb n GLU 2242Cb 0.80 -1.37 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 3dkb n GLU 2242CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dkb s TYR 2244N -2.50 3.56 -1.87 0.00 5.04 -0.58 -4.95 117.35 116.04 3dkb s TYR 2244Ca 0.31 1.40 0.05 0.00 -2.44 0.00 0.00 57.07 56.39 3dkb s TYR 2244Cb -0.03 -2.97 0.15 0.00 0.35 0.00 0.00 41.96 39.46 3dkb s TYR 2244CO 0.17 -0.04 1.08 0.54 -1.34 0.00 0.00 175.55 175.96 3dkb n ARG 2245N 4.26 1.43 -4.50 4.97 1.74 -1.26 -4.26 116.66 119.05 3dkb n ARG 2245Ca 0.03 -0.60 -0.34 0.00 -0.77 0.00 0.00 57.85 56.17 3dkb n ARG 2245Cb 0.50 -1.19 -0.12 0.00 -1.02 0.00 0.00 32.46 30.64 3dkb n ARG 2245CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3dkb s TYR 2246N -1.74 3.00 0.71 -1.55 1.51 -1.26 -3.02 117.35 115.00 3dkb s TYR 2246Ca 0.11 -0.16 -0.09 0.00 -1.01 0.00 0.00 57.07 55.92 3dkb s TYR 2246Cb 0.06 -1.85 0.05 0.00 -0.11 0.00 0.00 41.96 40.11 3dkb s TYR 2246CO 0.07 0.13 1.05 -1.25 -1.11 0.00 0.00 175.55 174.44 3dkb s PRO 2247N -0.16 2.37 -0.22 -1.71 0.04 -1.26 -4.29 135.00 129.77 3dkb s PRO 2247Ca 0.03 -0.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 3dkb s PRO 2247Cb -0.13 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 3dkb s PRO 2247CO 0.03 -1.20 -0.00 0.42 0.04 0.00 0.00 177.00 176.28 3dkb s ILE 2248N -3.30 3.80 -0.24 0.56 1.01 0.15 -4.77 121.20 118.40 3dkb s ILE 2248Ca 0.59 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 3dkb s ILE 2248Cb -0.11 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 3dkb s ILE 2248CO 0.47 0.40 0.10 -0.69 0.00 0.00 0.00 174.94 175.23 3dkb s VAL 2249N 1.35 4.78 0.23 2.92 1.01 -1.26 0.02 120.40 129.45 3dkb s VAL 2249Ca 0.04 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.11 3dkb s VAL 2249Cb -0.15 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3dkb s VAL 2249CO 0.00 0.35 -0.16 -0.76 0.00 0.00 0.00 175.10 174.54 3dkb s LEU 2250N 1.23 2.71 0.12 3.92 1.43 -0.06 -0.86 118.68 127.18 3dkb s LEU 2250Ca 0.06 -0.83 0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3dkb s LEU 2250Cb -0.14 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 3dkb s LEU 2250CO 0.04 0.07 -0.14 -0.83 0.23 0.00 0.00 176.35 175.73 3dkb s GLY 2251N -3.13 1.74 -0.08 -3.19 0.00 0.73 -0.03 107.32 103.35 3dkb s GLY 2251Ca 0.26 -1.34 -0.05 0.00 0.00 0.00 0.00 44.72 43.60 3dkb s GLY 2251CO 0.14 -1.32 0.19 -0.47 0.00 0.00 0.00 173.10 171.64 3dkb s TYR 2252N -1.27 -0.23 0.00 1.90 5.04 0.55 -1.97 117.35 121.36 3dkb s TYR 2252Ca 0.20 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 3dkb s TYR 2252Cb -0.10 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.21 3dkb s TYR 2252CO 0.12 -0.17 0.00 -0.40 -1.34 0.00 0.00 175.55 173.77 3dkb n ASP 2253N 3.82 0.00 0.37 4.32 5.68 -1.11 -1.27 116.55 128.37 3dkb n ASP 2253Ca -0.22 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 53.91 3dkb n ASP 2253Cb 0.54 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.45 3dkb n ASP 2253CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dkb h SER 2254N 0.00 -0.96 -0.04 -1.12 4.64 -1.99 -3.42 113.55 110.66 3dkb h SER 2254Ca 0.00 0.05 -0.23 0.00 -0.47 0.00 0.00 61.79 61.14 3dkb h SER 2254Cb 0.00 0.27 -0.16 0.00 -0.31 0.00 0.00 62.40 62.20 3dkb h SER 2254CO 0.00 -0.62 -0.39 1.57 -0.87 0.00 0.00 176.83 176.52 3dkb n HIS 2255N -4.87 -2.41 -3.80 4.77 -0.00 -1.26 -5.12 115.22 102.54 3dkb n HIS 2255Ca -0.12 -1.98 -0.13 0.00 0.46 0.00 0.00 57.72 55.95 3dkb n HIS 2255Cb 0.41 1.54 -0.13 0.00 -0.12 0.00 0.00 29.99 31.69 3dkb n HIS 2255CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3dkb s HIS 2256N 0.09 -0.19 0.01 1.57 5.04 -1.26 -5.07 115.29 115.48 3dkb s HIS 2256Ca 0.22 0.48 -0.00 0.00 -1.54 0.00 0.00 55.06 54.22 3dkb s HIS 2256Cb 0.39 0.05 -0.04 0.00 0.04 0.00 0.00 32.58 33.02 3dkb s HIS 2256CO -0.08 -0.11 0.10 -0.06 -2.34 0.00 0.00 174.74 172.26 3dkb s PHE 2257N 0.28 3.33 0.01 3.88 0.40 -1.26 -2.75 117.98 121.88 3dkb s PHE 2257Ca -0.02 0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.44 3dkb s PHE 2257Cb -0.03 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 41.76 3dkb s PHE 2257CO -0.01 0.57 0.18 0.08 0.70 0.00 0.00 175.22 176.74 3dkb s VAL 2258N -1.25 0.08 0.29 -0.44 1.01 -0.83 -4.71 120.40 114.55 3dkb s VAL 2258Ca 0.25 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 3dkb s VAL 2258Cb -0.12 -0.55 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 3dkb s VAL 2258CO 0.16 -0.38 0.77 -2.84 0.00 0.00 0.00 175.10 172.82 3dkb s PRO 2259N -1.57 4.19 -0.83 2.72 0.02 -1.26 -0.19 135.00 138.07 3dkb s PRO 2259Ca -0.13 0.86 0.01 0.00 0.02 0.00 0.00 61.00 61.76 3dkb s PRO 2259Cb -0.06 -2.63 0.22 0.00 0.02 0.00 0.00 34.50 32.05 3dkb s PRO 2259CO 0.01 0.25 0.74 1.28 -0.33 0.00 0.00 177.00 178.95 3dkb n LEU 2260N 0.15 3.97 -4.77 -5.54 4.77 -0.04 -2.59 117.00 112.95 3dkb n LEU 2260Ca 0.01 -5.20 -0.38 0.00 -0.03 0.00 0.00 56.01 50.42 3dkb n LEU 2260Cb 0.52 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3dkb n LEU 2260CO 0.42 1.68 0.75 0.68 -1.33 0.00 0.00 177.39 179.59 3dkb s VAL 2261N -1.62 3.65 0.69 4.08 -7.23 -0.65 -4.61 120.40 114.71 3dkb s VAL 2261Ca 0.29 1.40 -0.11 0.00 -1.81 0.00 0.00 61.98 61.75 3dkb s VAL 2261Cb -0.03 -3.79 0.01 0.00 0.56 0.00 0.00 36.38 33.12 3dkb s VAL 2261CO -0.11 0.14 1.06 -0.89 -0.31 0.00 0.00 175.10 174.99 3dkb s THR 2262N -1.47 4.01 0.30 5.32 2.01 -1.26 0.37 115.64 124.91 3dkb s THR 2262Ca 0.53 0.65 -0.12 0.00 0.31 0.00 0.00 61.69 63.06 3dkb s THR 2262Cb -0.26 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 3dkb s THR 2262CO 0.32 -0.85 0.66 -0.76 -0.69 0.00 0.00 174.62 173.31 3dkb s LEU 2263N -5.49 4.06 0.01 4.42 1.43 -0.80 -2.16 118.68 120.15 3dkb s LEU 2263Ca 0.58 1.09 -0.21 0.00 -1.03 0.00 0.00 54.13 54.56 3dkb s LEU 2263Cb -0.13 -3.90 -0.19 0.00 0.03 0.00 0.00 46.19 42.00 3dkb s LEU 2263CO 0.54 -0.19 1.21 0.50 0.23 0.00 0.00 176.35 178.64 3dkb h LYS 2264N 2.14 0.34 0.00 1.70 3.64 -1.18 -3.46 116.57 119.75 3dkb h LYS 2264Ca -0.47 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 3dkb h LYS 2264Cb 1.18 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3dkb h LYS 2264CO 0.66 0.89 0.00 -0.25 -2.27 0.00 0.00 179.45 178.48 3dkb n ASP 2265N -4.44 0.00 0.00 4.20 9.92 -1.26 -5.04 116.55 119.93 3dkb n ASP 2265Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 3dkb n ASP 2265Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 3dkb n ASP 2265CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3dkb n SER 2266N 0.00 0.00 -1.44 -2.24 2.88 -1.26 -4.88 113.62 106.68 3dkb n SER 2266Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 3dkb n SER 2266Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3dkb n SER 2266CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dkb n GLY 2267N 0.00 -3.19 0.39 0.46 0.00 -1.26 -4.71 105.19 96.89 3dkb n GLY 2267Ca 0.00 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.18 3dkb n GLY 2267CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dkb n PRO 2268N -4.33 1.49 -1.14 1.61 -0.02 -1.26 -4.96 135.00 126.39 3dkb n PRO 2268Ca -0.09 -0.79 -0.33 0.00 -2.02 0.00 0.00 63.50 60.26 3dkb n PRO 2268Cb 0.67 -1.48 0.12 0.00 -0.02 0.00 0.00 33.50 32.79 3dkb n PRO 2268CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3dkb s GLU 2269N -2.05 1.68 0.25 -0.52 8.01 -1.26 -5.01 118.70 119.79 3dkb s GLU 2269Ca 0.38 1.75 0.03 0.00 0.01 0.00 0.00 54.97 57.14 3dkb s GLU 2269Cb 0.21 -1.78 -0.03 0.00 -4.31 0.00 0.00 34.13 28.22 3dkb s GLU 2269CO 0.36 -2.18 0.40 0.96 0.01 0.00 0.00 175.26 174.80 3dkb s ILE 2270N -2.14 5.22 -0.68 -1.63 -4.36 -1.17 -4.64 121.20 111.80 3dkb s ILE 2270Ca 0.73 -0.73 -0.27 0.00 -0.26 0.00 0.00 60.65 60.12 3dkb s ILE 2270Cb -0.29 -3.83 0.04 0.00 1.25 0.00 0.00 42.46 39.63 3dkb s ILE 2270CO 0.50 -0.33 1.20 -0.13 0.24 0.00 0.00 174.94 176.42 3dkb s ARG 2271N -3.87 3.28 -0.01 0.37 0.52 -1.26 -1.01 118.95 116.97 3dkb s ARG 2271Ca 0.36 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.11 3dkb s ARG 2271Cb -0.10 -4.13 0.08 0.00 0.52 0.00 0.00 34.95 31.32 3dkb s ARG 2271CO 0.31 -1.95 0.71 0.00 0.02 0.00 0.00 175.30 174.39 3dkb s ALA 2272N 5.24 -1.75 -0.24 2.13 0.00 -1.26 -0.95 121.76 124.93 3dkb s ALA 2272Ca 0.35 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.45 3dkb s ALA 2272Cb -0.09 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.26 3dkb s ALA 2272CO 0.17 -0.49 -0.07 0.54 0.00 0.00 0.00 175.76 175.91 3dkb s VAL 2273N -1.98 1.72 0.26 0.00 0.11 0.54 -4.57 120.40 116.49 3dkb s VAL 2273Ca -0.06 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.39 3dkb s VAL 2273Cb -0.00 -1.92 -0.14 0.00 -1.53 0.00 0.00 36.38 32.78 3dkb s VAL 2273CO 0.02 -0.05 1.07 -0.81 -3.33 0.00 0.00 175.10 172.00 3dkb n PRO 2274N 4.61 1.34 -0.79 1.54 -0.04 -1.26 -1.79 135.00 138.61 3dkb n PRO 2274Ca -0.13 0.47 -0.07 0.00 -0.04 0.00 0.00 63.50 63.74 3dkb n PRO 2274Cb 0.44 -1.89 0.22 0.00 -0.04 0.00 0.00 33.50 32.22 3dkb n PRO 2274CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dkb n LEU 2275N 1.49 5.17 -4.11 1.53 4.77 0.20 -4.84 117.00 121.22 3dkb n LEU 2275Ca 0.11 -2.69 -0.08 0.00 -0.03 0.00 0.00 56.01 53.31 3dkb n LEU 2275Cb 0.30 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 3dkb n LEU 2275CO 0.60 0.72 -0.31 0.68 -1.33 0.00 0.00 177.39 177.76 3dkb s VAL 2276N -2.38 0.15 -0.04 4.08 -7.23 -1.26 -1.97 120.40 111.76 3dkb s VAL 2276Ca 0.41 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3dkb s VAL 2276Cb 0.33 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3dkb s VAL 2276CO 0.10 -0.70 0.06 0.20 -0.31 0.00 0.00 175.10 174.45 3dkb s ASN 2277N -2.98 5.58 -1.47 4.85 0.01 0.83 -4.88 114.94 116.88 3dkb s ASN 2277Ca 0.16 0.17 -0.12 0.00 -0.71 0.00 0.00 52.86 52.35 3dkb s ASN 2277Cb 0.07 -1.61 0.03 0.00 0.41 0.00 0.00 41.25 40.16 3dkb s ASN 2277CO -0.04 0.32 2.37 -1.14 -1.51 0.00 0.00 177.10 177.10 3dkb n ARG 2278N 1.54 3.27 0.00 -0.60 0.63 -1.26 -2.36 116.66 117.88 3dkb n ARG 2278Ca -0.15 -2.68 0.00 0.00 -0.92 0.00 0.00 57.85 54.09 3dkb n ARG 2278Cb 0.53 -3.08 0.00 0.00 0.45 0.00 0.00 32.46 30.36 3dkb n ARG 2278CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3dkb n ASP 2279N 4.91 -1.50 -4.57 6.15 4.64 -0.69 -4.76 116.55 120.72 3dkb n ASP 2279Ca 0.58 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.64 3dkb n ASP 2279Cb 0.34 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.38 3dkb n ASP 2279CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3dkb s ARG 2280N -2.24 3.14 0.00 -0.67 1.70 -1.26 -4.10 118.95 115.52 3dkb s ARG 2280Ca 0.00 -1.31 0.00 0.00 -0.47 0.00 0.00 55.73 53.95 3dkb s ARG 2280Cb 0.00 -5.33 0.00 0.00 -0.57 0.00 0.00 34.95 29.05 3dkb s ARG 2280CO 0.00 -3.09 0.00 0.41 -1.08 0.00 0.00 175.30 171.54 3dkb n GLY 2281N 5.96 2.83 3.73 3.88 0.00 -1.26 -5.00 105.19 115.34 3dkb n GLY 2281Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 3dkb n GLY 2281CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dkb s ARG 2282N -0.11 2.31 -0.45 1.61 1.70 -1.26 -4.95 118.95 117.81 3dkb s ARG 2282Ca 0.00 -1.64 -0.09 0.00 -0.47 0.00 0.00 55.73 53.52 3dkb s ARG 2282Cb 0.00 -2.11 0.10 0.00 -0.57 0.00 0.00 34.95 32.37 3dkb s ARG 2282CO 0.00 0.04 0.31 -0.06 -1.08 0.00 0.00 175.30 174.51 3dkb s PHE 2283N -2.48 3.38 0.01 5.89 0.40 -1.26 -1.71 117.98 122.20 3dkb s PHE 2283Ca 0.39 -1.69 -0.20 0.00 -0.60 0.00 0.00 56.93 54.83 3dkb s PHE 2283Cb -0.01 -3.25 -0.06 0.00 0.51 0.00 0.00 43.02 40.22 3dkb s PHE 2283CO 0.23 -0.92 0.58 -2.00 0.70 0.00 0.00 175.22 173.80 3dkb s GLU 2284N 1.40 4.28 0.51 0.44 2.56 -1.00 -4.83 118.70 122.06 3dkb s GLU 2284Ca 0.04 0.71 -0.22 0.00 0.00 0.00 0.00 54.97 55.50 3dkb s GLU 2284Cb -0.25 -3.32 -0.06 0.00 2.00 0.00 0.00 34.13 32.50 3dkb s GLU 2284CO 0.01 0.42 1.27 0.34 -0.56 0.00 0.00 175.26 176.74 3dkb s ASP 2285N -0.36 5.67 0.42 -1.70 3.68 -1.26 -0.12 116.67 123.00 3dkb s ASP 2285Ca 0.30 2.55 -0.24 0.00 2.13 0.00 0.00 52.55 57.30 3dkb s ASP 2285Cb -0.18 -2.62 -0.08 0.00 -1.45 0.00 0.00 42.92 38.58 3dkb s ASP 2285CO 0.17 -1.28 1.10 -0.76 0.13 0.00 0.00 175.17 174.53 3dkb s LEU 2286N -3.31 4.10 0.15 -1.34 1.02 -0.83 -4.77 118.68 113.70 3dkb s LEU 2286Ca 0.68 2.15 -0.30 0.00 0.02 0.00 0.00 54.13 56.68 3dkb s LEU 2286Cb -0.35 -4.19 -0.07 0.00 0.02 0.00 0.00 46.19 41.60 3dkb s LEU 2286CO 0.42 -0.64 1.18 -0.75 0.02 0.00 0.00 176.35 176.57 3dkb s LYS 2287N -2.54 4.50 -0.37 1.70 2.36 -1.26 -4.83 119.74 119.29 3dkb s LYS 2287Ca 0.59 1.81 -0.10 0.00 -2.55 0.00 0.00 55.97 55.72 3dkb s LYS 2287Cb -0.25 -3.28 0.03 0.00 -1.05 0.00 0.00 37.83 33.28 3dkb s LYS 2287CO 0.31 -0.10 0.19 0.08 1.55 0.00 0.00 175.35 177.38 3dkb s VAL 2288N 0.21 4.46 0.60 4.02 1.01 -1.26 0.59 120.40 130.03 3dkb s VAL 2288Ca 0.54 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 3dkb s VAL 2288Cb -0.31 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3dkb s VAL 2288CO 0.34 -0.24 1.17 -1.00 0.00 0.00 0.00 175.10 175.37 3dkb s HIS 2289N 1.53 2.47 -1.61 5.22 0.09 -0.67 -4.15 115.29 118.17 3dkb s HIS 2289Ca 0.01 1.54 -0.11 0.00 -0.00 0.00 0.00 55.06 56.51 3dkb s HIS 2289Cb -0.19 -3.38 0.09 0.00 -0.00 0.00 0.00 32.58 29.10 3dkb s HIS 2289CO 0.06 -1.99 0.52 1.19 -0.00 0.00 0.00 174.74 174.52 3dkb n PHE 2290N -1.74 -1.56 -3.10 1.40 3.01 -1.26 -4.78 117.46 109.42 3dkb n PHE 2290Ca 0.13 0.74 -0.30 0.00 1.01 0.00 0.00 57.45 59.02 3dkb n PHE 2290Cb 0.50 -3.02 -0.04 0.00 -0.01 0.00 0.00 39.48 36.92 3dkb n PHE 2290CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dkb s LEU 2291N -7.20 3.97 0.32 4.37 1.43 -1.26 -4.94 118.68 115.38 3dkb s LEU 2291Ca 0.41 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 3dkb s LEU 2291Cb -0.23 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 3dkb s LEU 2291CO 0.94 -0.27 0.55 0.42 0.23 0.00 0.00 176.35 178.22 3dkb s THR 2292N -2.16 5.08 0.24 5.49 -4.23 -1.26 -4.83 115.64 113.97 3dkb s THR 2292Ca 0.49 -0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.62 3dkb s THR 2292Cb -0.11 -3.81 0.33 0.00 1.34 0.00 0.00 72.50 70.25 3dkb s THR 2292CO 0.28 -0.47 1.58 0.44 -0.54 0.00 0.00 174.62 175.90 3dkb h ASP 2293N 1.11 -0.97 0.57 3.99 5.19 -1.99 0.24 116.42 124.57 3dkb h ASP 2293Ca -0.49 0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 3dkb h ASP 2293Cb 1.21 0.59 -0.02 0.00 0.18 0.00 0.00 39.33 41.29 3dkb h ASP 2293CO 0.63 -0.29 -0.51 -0.65 -3.12 0.00 0.00 179.24 175.31 3dkb h PRO 2294N -0.02 -1.02 -0.99 3.56 0.11 -1.99 -2.88 132.00 128.76 3dkb h PRO 2294Ca 0.39 0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.63 3dkb h PRO 2294Cb 0.63 0.23 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 3dkb h PRO 2294CO -0.90 -0.68 0.64 0.93 -0.21 0.00 0.00 178.00 177.79 3dkb h GLU 2295N -1.06 1.15 -0.34 1.05 5.08 -1.70 -1.02 114.58 117.73 3dkb h GLU 2295Ca -0.07 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3dkb h GLU 2295Cb 0.90 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3dkb h GLU 2295CO -0.03 0.76 0.26 -0.97 -1.00 0.00 0.00 179.01 178.03 3dkb h ASN 2296N 1.18 0.00 -0.19 1.42 -0.73 -0.42 0.22 115.58 117.06 3dkb h ASN 2296Ca 0.42 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.46 3dkb h ASN 2296Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 3dkb h ASN 2296CO -0.16 0.00 -0.38 -0.33 -0.37 0.00 0.00 177.43 176.20 3dkb h GLU 2297N 0.00 0.60 -0.97 6.67 4.39 -0.98 -3.18 114.58 121.11 3dkb h GLU 2297Ca 0.16 -0.39 -0.50 0.00 0.34 0.00 0.00 59.36 58.98 3dkb h GLU 2297Cb 0.68 0.05 -0.30 0.00 -0.10 0.00 0.00 28.75 29.08 3dkb h GLU 2297CO -0.00 1.00 0.63 0.00 -1.16 0.00 0.00 179.01 179.47 3dkb n MET 2298N -4.27 2.30 -0.23 2.33 0.00 -0.11 -4.68 117.12 112.46 3dkb n MET 2298Ca -0.06 -3.02 0.02 0.00 0.00 0.00 0.00 57.70 54.64 3dkb n MET 2298Cb 0.52 -2.17 0.14 0.00 0.00 0.00 0.00 33.22 31.71 3dkb n MET 2298CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 3dkb h LYS 2299N 1.06 0.43 0.00 3.17 2.10 -0.65 -0.19 116.57 122.50 3dkb h LYS 2299Ca 0.62 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3dkb h LYS 2299Cb 2.83 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 34.06 3dkb h LYS 2299CO 1.08 0.29 -0.02 1.49 -2.00 0.00 0.00 179.45 180.28 3dkb h GLU 2300N 0.45 0.00 -0.00 0.07 4.81 -1.87 -1.97 114.58 116.06 3dkb h GLU 2300Ca 0.35 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.54 3dkb h GLU 2300Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3dkb h GLU 2300CO -0.34 0.02 -0.16 0.87 -0.73 0.00 0.00 179.01 178.68 3dkb h LYS 2301N 0.00 0.11 -0.89 1.92 6.56 -1.41 -3.09 116.57 119.77 3dkb h LYS 2301Ca -0.00 -0.12 0.06 0.00 -1.06 0.00 0.00 60.65 59.53 3dkb h LYS 2301Cb 0.06 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 31.69 3dkb h LYS 2301CO 0.00 0.86 0.58 -0.07 -2.06 0.00 0.00 179.45 178.76 3dkb h LEU 2302N -0.59 0.90 -0.65 2.94 3.38 -0.92 -1.32 115.31 119.04 3dkb h LEU 2302Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3dkb h LEU 2302Cb 0.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3dkb h LEU 2302CO 0.03 0.59 0.15 -0.07 0.09 0.00 0.00 178.44 179.23 3dkb h LEU 2303N 1.03 1.00 -1.31 1.67 3.38 -1.45 0.52 115.31 120.14 3dkb h LEU 2303Ca 0.38 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dkb h LEU 2303Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3dkb h LEU 2303CO -0.13 0.98 0.00 0.11 0.09 0.00 0.00 178.44 179.48 3dkb h LYS 2304N 0.97 0.00 0.06 1.13 1.57 -1.31 0.71 116.57 119.71 3dkb h LYS 2304Ca 0.20 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.72 3dkb h LYS 2304Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3dkb h LYS 2304CO 0.00 0.00 -1.40 1.49 -0.57 0.00 0.00 179.45 178.97 3dkb h GLU 2305N 0.00 0.12 0.00 3.15 4.81 -0.37 -3.39 114.58 118.90 3dkb h GLU 2305Ca 0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3dkb h GLU 2305Cb 0.55 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3dkb h GLU 2305CO 0.00 1.10 -0.49 1.88 -0.73 0.00 0.00 179.01 180.77 3dkb h TYR 2306N -0.58 0.00 -3.24 0.92 -1.99 -0.00 -3.45 116.97 108.63 3dkb h TYR 2306Ca -0.34 0.00 -0.40 0.00 2.00 0.00 0.00 58.73 59.99 3dkb h TYR 2306Cb 1.57 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 40.16 3dkb h TYR 2306CO 0.11 0.00 -0.65 -0.51 -0.00 0.00 0.00 178.16 177.11 3dkb s LEU 2307N -4.60 2.15 -1.11 3.88 1.43 0.24 -4.34 118.68 116.34 3dkb s LEU 2307Ca 0.06 -1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 3dkb s LEU 2307Cb 0.12 -0.29 0.25 0.00 0.03 0.00 0.00 46.19 46.31 3dkb s LEU 2307CO 0.70 -0.54 1.15 -0.04 0.23 0.00 0.00 176.35 177.85 3dkb s MET 2308N -3.87 4.13 0.30 1.70 -1.94 -1.17 -4.35 119.30 114.10 3dkb s MET 2308Ca 0.31 -3.02 -0.29 0.00 -1.71 0.00 0.00 55.69 50.98 3dkb s MET 2308Cb 0.06 -4.65 -0.10 0.00 2.01 0.00 0.00 34.83 32.16 3dkb s MET 2308CO 0.10 -1.35 1.12 0.08 -0.01 0.00 0.00 175.02 174.96 3dkb s VAL 2309N -0.55 3.40 0.06 -6.03 1.01 -1.26 -2.04 120.40 114.99 3dkb s VAL 2309Ca 0.32 1.37 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 3dkb s VAL 2309Cb -0.09 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3dkb s VAL 2309CO -0.07 0.30 0.02 0.27 0.00 0.00 0.00 175.10 175.62 3dkb s ILE 2310N -1.21 0.20 -0.16 2.22 -4.36 0.07 -4.96 121.20 112.99 3dkb s ILE 2310Ca 0.47 -1.63 -0.07 0.00 -0.26 0.00 0.00 60.65 59.15 3dkb s ILE 2310Cb -0.32 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 3dkb s ILE 2310CO 0.41 -0.90 0.08 -1.61 0.24 0.00 0.00 174.94 173.16 3dkb s GLU 2311N -3.80 3.75 -0.09 0.37 8.01 -1.26 -0.91 118.70 124.77 3dkb s GLU 2311Ca 0.06 -0.28 0.01 0.00 0.01 0.00 0.00 54.97 54.77 3dkb s GLU 2311Cb 0.07 -3.19 0.02 0.00 -4.31 0.00 0.00 34.13 26.72 3dkb s GLU 2311CO -0.10 0.46 -0.12 0.42 0.01 0.00 0.00 175.26 175.94 3dkb s ILE 2312N -0.15 1.17 -0.61 -1.63 1.09 0.53 -4.93 121.20 116.67 3dkb s ILE 2312Ca 0.08 -0.46 -0.27 0.00 -1.10 0.00 0.00 60.65 58.90 3dkb s ILE 2312Cb -0.12 -1.10 -0.00 0.00 -1.06 0.00 0.00 42.46 40.18 3dkb s ILE 2312CO 0.01 0.37 1.63 -2.84 -0.10 0.00 0.00 174.94 174.02 3dkb s PRO 2313N 0.99 2.94 0.18 2.79 0.02 -1.26 -1.62 135.00 139.04 3dkb s PRO 2313Ca -0.08 0.44 0.01 0.00 0.02 0.00 0.00 61.00 61.39 3dkb s PRO 2313Cb -0.15 -4.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.06 3dkb s PRO 2313CO -0.00 -2.38 0.34 0.08 -0.33 0.00 0.00 177.00 174.70 3dkb s VAL 2314N 7.57 5.27 0.35 3.83 1.01 0.52 -4.93 120.40 134.02 3dkb s VAL 2314Ca 0.58 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 3dkb s VAL 2314Cb -0.12 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 3dkb s VAL 2314CO 0.21 -0.16 1.45 0.00 0.00 0.00 0.00 175.10 176.59 3dkb n GLN 2315N -0.72 2.51 0.00 2.72 6.02 -1.26 -1.60 117.38 125.05 3dkb n GLN 2315Ca -0.06 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 3dkb n GLN 2315Cb 0.54 -2.58 0.00 0.00 1.02 0.00 0.00 30.24 29.23 3dkb n GLN 2315CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dkb n GLY 2316N 0.83 -1.29 2.87 1.08 0.00 0.28 -4.57 105.19 104.38 3dkb n GLY 2316Ca 0.03 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 3dkb n GLY 2316CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3dkb n TRP 2317N 0.00 2.55 -3.59 1.61 -0.00 -1.26 -4.80 117.44 111.94 3dkb n TRP 2317Ca 0.00 -2.86 -0.24 0.00 -0.00 0.00 0.00 57.50 54.41 3dkb n TRP 2317Cb 0.00 -1.11 0.04 0.00 -0.00 0.00 0.00 31.31 30.24 3dkb n TRP 2317CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3dkb n ASP 2318N 1.06 -3.89 -2.69 5.87 8.00 -1.26 -4.96 116.55 118.68 3dkb n ASP 2318Ca 0.29 -0.87 -0.05 0.00 0.71 0.00 0.00 54.79 54.87 3dkb n ASP 2318Cb 0.34 -4.06 0.10 0.00 -0.02 0.00 0.00 41.12 37.47 3dkb n ASP 2318CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dkb n HIS 2319N -4.01 -1.28 -0.11 1.24 1.44 -1.26 -4.99 115.22 106.24 3dkb n HIS 2319Ca -0.17 -1.15 0.00 0.00 -2.01 0.00 0.00 57.72 54.38 3dkb n HIS 2319Cb 0.63 1.31 0.00 0.00 0.12 0.00 0.00 29.99 32.05 3dkb n HIS 2319CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dkb n GLY 2320N 0.74 0.00 3.90 -1.39 0.00 -1.26 -4.86 105.19 102.31 3dkb n GLY 2320Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3dkb n GLY 2320CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dkb s THR 2321N -0.25 4.98 -0.02 2.61 2.01 -1.26 -4.96 115.64 118.76 3dkb s THR 2321Ca 0.00 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.20 3dkb s THR 2321Cb 0.00 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.81 3dkb s THR 2321CO 0.00 -0.32 -0.01 0.42 -0.69 0.00 0.00 174.62 174.02 3dkb s THR 2322N -2.09 0.15 0.16 -0.82 -4.23 -1.26 1.00 115.64 108.55 3dkb s THR 2322Ca 0.45 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 61.06 3dkb s THR 2322Cb -0.11 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 3dkb s THR 2322CO 0.29 0.10 -0.04 -1.00 -0.54 0.00 0.00 174.62 173.43 3dkb s HIS 2323N 0.58 2.79 -0.28 3.99 3.76 -0.63 -4.83 115.29 120.67 3dkb s HIS 2323Ca -0.05 -0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.59 3dkb s HIS 2323Cb -0.08 -1.37 -0.05 0.00 1.11 0.00 0.00 32.58 32.18 3dkb s HIS 2323CO -0.01 0.50 0.19 -1.17 -0.85 0.00 0.00 174.74 173.40 3dkb s LEU 2324N -2.78 4.02 0.27 0.89 2.96 -1.26 -0.35 118.68 122.43 3dkb s LEU 2324Ca 0.26 -0.03 0.11 0.00 -0.22 0.00 0.00 54.13 54.25 3dkb s LEU 2324Cb -0.10 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 3dkb s LEU 2324CO 0.17 -0.06 -0.17 0.27 -1.32 0.00 0.00 176.35 175.24 3dkb s ILE 2325N 1.76 2.26 -0.01 6.68 -4.36 -0.64 -4.90 121.20 121.99 3dkb s ILE 2325Ca 0.07 -2.33 -0.21 0.00 -0.26 0.00 0.00 60.65 57.92 3dkb s ILE 2325Cb -0.16 -2.28 -0.05 0.00 1.25 0.00 0.00 42.46 41.21 3dkb s ILE 2325CO 0.11 -0.42 0.60 0.20 0.24 0.00 0.00 174.94 175.67 3dkb s ASN 2326N -3.47 6.98 -0.01 4.36 0.02 -1.26 -0.35 114.94 121.20 3dkb s ASN 2326Ca 0.29 1.16 -0.02 0.00 -1.02 0.00 0.00 52.86 53.27 3dkb s ASN 2326Cb -0.03 -2.37 -0.00 0.00 0.02 0.00 0.00 41.25 38.87 3dkb s ASN 2326CO 0.13 0.10 0.04 0.00 0.02 0.00 0.00 177.10 177.39 3dkb s ALA 2327N -0.17 -0.08 -0.08 0.60 0.00 -0.09 0.61 121.76 122.54 3dkb s ALA 2327Ca 0.31 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 3dkb s ALA 2327Cb -0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 3dkb s ALA 2327CO 0.17 -0.07 0.41 0.00 0.00 0.00 0.00 175.76 176.28 3dkb s ALA 2328N -0.44 3.58 0.25 0.00 0.00 -0.74 -0.75 121.76 123.66 3dkb s ALA 2328Ca -0.05 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3dkb s ALA 2328Cb -0.03 -2.50 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 3dkb s ALA 2328CO -0.00 0.20 1.30 0.21 0.00 0.00 0.00 175.76 177.47 3dkb s LYS 2329N -0.03 4.39 -0.12 0.00 2.36 -0.86 -0.34 119.74 125.14 3dkb s LYS 2329Ca 0.23 2.11 -0.12 0.00 -2.55 0.00 0.00 55.97 55.64 3dkb s LYS 2329Cb -0.15 -3.14 -0.05 0.00 -1.05 0.00 0.00 37.83 33.44 3dkb s LYS 2329CO 0.10 -0.21 0.27 -0.51 1.55 0.00 0.00 175.35 176.55 3dkb s LEU 2330N -0.80 4.32 0.85 5.43 1.43 -0.13 -4.46 118.68 125.33 3dkb s LEU 2330Ca 0.53 0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 54.10 3dkb s LEU 2330Cb -0.38 -2.32 0.10 0.00 0.03 0.00 0.00 46.19 43.63 3dkb s LEU 2330CO 0.44 0.23 1.11 -0.62 0.23 0.00 0.00 176.35 177.74 3dkb s ASP 2331N -0.23 3.68 0.11 2.29 2.15 -1.26 -4.76 116.67 118.65 3dkb s ASP 2331Ca 0.17 1.96 0.05 0.00 0.43 0.00 0.00 52.55 55.16 3dkb s ASP 2331Cb -0.13 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 3dkb s ASP 2331CO 0.05 -2.58 0.06 -1.83 -0.17 0.00 0.00 175.17 170.70 3dkb s GLU 2332N -4.78 2.73 -0.44 4.34 -1.05 -1.26 -4.98 118.70 113.25 3dkb s GLU 2332Ca 0.64 -0.82 -0.45 0.00 -0.15 0.00 0.00 54.97 54.18 3dkb s GLU 2332Cb -0.20 -2.61 -0.19 0.00 -0.44 0.00 0.00 34.13 30.69 3dkb s GLU 2332CO 0.57 0.53 1.62 0.00 0.95 0.00 0.00 175.26 178.93 3dkb n ALA 2333N 0.24 -1.13 -1.45 -0.84 0.00 -1.26 -4.71 120.51 111.35 3dkb n ALA 2333Ca -0.09 0.48 0.03 0.00 0.00 0.00 0.00 53.44 53.85 3dkb n ALA 2333Cb 0.53 -1.99 0.04 0.00 0.00 0.00 0.00 19.45 18.03 3dkb n ALA 2333CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dkb n ASN 2334N 4.27 0.79 -4.69 0.00 2.04 -0.21 -4.99 115.26 112.47 3dkb n ASN 2334Ca 0.30 -2.15 -0.42 0.00 -0.44 0.00 0.00 54.58 51.86 3dkb n ASN 2334Cb -0.01 -0.22 -0.03 0.00 -2.53 0.00 0.00 39.78 36.99 3dkb n ASN 2334CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3dkb s LEU 2335N -0.86 4.29 0.56 -4.53 1.43 -1.25 -4.84 118.68 113.48 3dkb s LEU 2335Ca 0.09 1.74 -0.21 0.00 -1.03 0.00 0.00 54.13 54.72 3dkb s LEU 2335Cb 0.08 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3dkb s LEU 2335CO 0.01 -0.50 1.34 -2.65 0.23 0.00 0.00 176.35 174.78 3dkb n PRO 2336N 4.85 1.63 -0.27 1.29 -0.02 -1.26 -4.62 135.00 136.60 3dkb n PRO 2336Ca 0.10 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 62.26 3dkb n PRO 2336Cb 0.47 -2.56 0.22 0.00 -0.02 0.00 0.00 33.50 31.61 3dkb n PRO 2336CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dkb h LYS 2337N 1.34 0.22 0.00 -0.52 1.63 -1.94 0.96 116.57 118.25 3dkb h LYS 2337Ca -0.51 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 3dkb h LYS 2337Cb 1.31 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3dkb h LYS 2337CO 0.57 0.14 0.11 -0.85 -3.45 0.00 0.00 179.45 175.97 3dkb n GLU 2338N -5.21 0.10 -0.37 1.90 0.00 -1.26 -1.17 120.64 114.63 3dkb n GLU 2338Ca 0.17 0.58 0.03 0.00 0.00 0.00 0.00 57.16 57.94 3dkb n GLU 2338Cb 0.54 -1.94 0.04 0.00 0.00 0.00 0.00 31.44 30.08 3dkb n GLU 2338CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3dkb n ILE 2339N -2.06 0.54 -3.39 3.84 -5.35 0.20 -4.95 119.36 108.19 3dkb n ILE 2339Ca -0.01 -0.65 -0.44 0.00 -0.27 0.00 0.00 62.75 61.37 3dkb n ILE 2339Cb 0.13 0.29 -0.07 0.00 -1.74 0.00 0.00 39.64 38.26 3dkb n ILE 2339CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dkb s ASN 2340N -1.54 6.06 0.37 7.28 3.04 -0.32 -4.80 114.94 125.04 3dkb s ASN 2340Ca 0.09 -1.67 0.22 0.00 0.04 0.00 0.00 52.86 51.55 3dkb s ASN 2340Cb 0.08 -2.16 0.24 0.00 -1.54 0.00 0.00 41.25 37.88 3dkb s ASN 2340CO 0.01 -0.75 1.48 -0.07 -3.04 0.00 0.00 177.10 174.72 3dkb h LEU 2341N 8.75 0.00 -0.83 3.21 3.38 -1.86 -3.29 115.31 124.68 3dkb h LEU 2341Ca -0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3dkb h LEU 2341Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3dkb h LEU 2341CO 0.95 0.07 -0.18 0.58 0.09 0.00 0.00 178.44 179.95 3dkb h VAL 2342N 0.00 1.26 -0.23 1.22 2.07 -1.91 -1.11 116.25 117.55 3dkb h VAL 2342Ca -0.00 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 3dkb h VAL 2342Cb 1.06 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3dkb h VAL 2342CO 0.01 0.41 0.06 -0.78 0.02 0.00 0.00 177.57 177.29 3dkb h ASP 2343N 0.61 0.35 -0.39 0.57 1.82 -1.96 0.30 116.42 117.72 3dkb h ASP 2343Ca 0.10 -0.23 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 3dkb h ASP 2343Cb 0.64 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 3dkb h ASP 2343CO 0.05 0.49 0.23 0.44 -1.61 0.00 0.00 179.24 178.84 3dkb h ASP 2344N 0.20 0.47 -0.32 2.28 3.32 -1.61 0.38 116.42 121.14 3dkb h ASP 2344Ca 0.07 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3dkb h ASP 2344Cb 0.27 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3dkb h ASP 2344CO 0.00 0.39 0.05 0.22 -1.72 0.00 0.00 179.24 178.18 3dkb h TYR 2345N 0.51 0.65 -0.44 4.55 -0.00 -1.09 -2.03 116.97 119.12 3dkb h TYR 2345Ca 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.73 58.80 3dkb h TYR 2345Cb 0.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 36.73 36.53 3dkb h TYR 2345CO -0.03 0.59 0.25 0.35 -0.00 0.00 0.00 178.16 179.32 3dkb h PHE 2346N 0.60 0.59 -0.69 -3.82 3.57 -0.10 -2.08 116.94 115.01 3dkb h PHE 2346Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3dkb h PHE 2346Cb 0.31 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3dkb h PHE 2346CO 0.01 0.43 0.42 0.93 -2.23 0.00 0.00 178.31 177.87 3dkb h GLU 2347N 0.57 0.93 0.29 1.11 4.39 -0.38 0.72 114.58 122.21 3dkb h GLU 2347Ca 0.16 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3dkb h GLU 2347Cb 0.03 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3dkb h GLU 2347CO -0.03 0.65 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.26 3dkb h LEU 2348N 0.95 -0.33 -1.34 1.33 4.07 -0.78 -1.74 115.31 117.46 3dkb h LEU 2348Ca 0.25 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 3dkb h LEU 2348Cb -0.04 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3dkb h LEU 2348CO -0.05 -0.20 -0.22 -0.37 -1.08 0.00 0.00 178.44 176.53 3dkb h VAL 2349N -0.44 1.20 -0.75 1.22 -1.51 -1.07 -0.86 116.25 114.05 3dkb h VAL 2349Ca -0.04 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.46 3dkb h VAL 2349Cb 0.34 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 3dkb h VAL 2349CO 0.07 0.28 0.37 1.56 -1.23 0.00 0.00 177.57 178.62 3dkb h GLN 2350N 0.16 1.07 0.01 5.19 4.20 -0.56 -2.16 115.11 123.01 3dkb h GLN 2350Ca 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3dkb h GLN 2350Cb 0.47 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dkb h GLN 2350CO 0.03 0.83 -0.06 1.25 -0.67 0.00 0.00 178.83 180.21 3dkb h HIS 2351N 1.05 0.05 0.00 2.96 2.76 -0.95 -2.87 115.15 118.15 3dkb h HIS 2351Ca 0.26 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3dkb h HIS 2351Cb 0.10 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 3dkb h HIS 2351CO 0.01 0.92 0.00 0.39 -1.30 0.00 0.00 177.93 177.95 3dkb n GLU 2352N -4.62 0.11 -0.05 5.26 -0.58 -0.36 -1.62 120.64 118.78 3dkb n GLU 2352Ca -0.10 0.51 -0.15 0.00 -0.42 0.00 0.00 57.16 57.00 3dkb n GLU 2352Cb 0.46 -1.80 -0.13 0.00 -0.57 0.00 0.00 31.44 29.40 3dkb n GLU 2352CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3dkb h TYR 2353N 0.00 0.09 -0.75 -0.32 3.20 -1.40 -1.13 116.97 116.66 3dkb h TYR 2353Ca 0.00 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.87 3dkb h TYR 2353Cb 0.13 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 3dkb h TYR 2353CO 0.00 1.03 0.49 0.87 -1.64 0.00 0.00 178.16 178.91 3dkb h LYS 2354N -0.88 0.80 0.00 1.82 1.57 -1.13 0.82 116.57 119.58 3dkb h LYS 2354Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3dkb h LYS 2354Cb 1.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3dkb h LYS 2354CO 0.02 0.53 0.00 1.17 -0.57 0.00 0.00 179.45 180.61 3dkb n LYS 2355N -4.47 0.51 -0.07 3.15 4.81 -0.64 -2.02 118.16 119.42 3dkb n LYS 2355Ca 0.11 0.01 -0.05 0.00 -0.87 0.00 0.00 58.31 57.50 3dkb n LYS 2355Cb 0.20 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.59 3dkb n LYS 2355CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 3dkb n TRP 2356N -1.23 0.07 -0.01 5.64 -0.00 0.26 -3.33 117.44 118.83 3dkb n TRP 2356Ca 0.15 0.03 -0.16 0.00 -0.00 0.00 0.00 57.50 57.52 3dkb n TRP 2356Cb 0.21 -0.91 -0.13 0.00 -0.00 0.00 0.00 31.31 30.48 3dkb n TRP 2356CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 3dkb h GLN 2357N 0.00 0.18 0.00 5.87 4.20 -0.51 -1.43 115.11 123.42 3dkb h GLN 2357Ca -0.42 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 57.98 3dkb h GLN 2357Cb 1.97 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.82 3dkb h GLN 2357CO 0.03 1.04 -0.32 0.93 -0.67 0.00 0.00 178.83 179.84 3dkb h GLU 2358N -0.55 0.00 0.14 1.46 5.08 -1.61 -3.09 114.58 116.01 3dkb h GLU 2358Ca -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.04 3dkb h GLU 2358Cb 1.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.47 3dkb h GLU 2358CO 0.07 0.32 -1.11 -0.91 -1.00 0.00 0.00 179.01 176.38 3dkb h ASN 2359N 0.00 0.74 0.00 1.42 4.21 -1.58 -3.26 115.58 117.11 3dkb h ASN 2359Ca -0.00 -0.86 0.00 0.00 1.21 0.00 0.00 56.30 56.64 3dkb h ASN 2359Cb 0.64 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3dkb h ASN 2359CO 0.04 1.53 0.00 -1.54 -1.29 0.00 0.00 177.43 176.17 3dkb n SER 2360N -3.91 0.35 -0.59 5.81 3.41 -0.54 -2.82 113.62 115.33 3dkb n SER 2360Ca -0.14 -0.61 0.05 0.00 -0.26 0.00 0.00 58.87 57.92 3dkb n SER 2360Cb 0.93 -0.15 0.15 0.00 -0.26 0.00 0.00 64.21 64.88 3dkb n SER 2360CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3dkb n GLU 2361N 0.39 1.74 0.00 4.33 2.13 -1.23 -5.06 120.64 122.94 3dkb n GLU 2361Ca 0.00 -1.15 0.08 0.00 0.66 0.00 0.00 57.16 56.75 3dkb n GLU 2361Cb 0.08 -1.25 0.07 0.00 0.27 0.00 0.00 31.44 30.61 3dkb n GLU 2361CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76