#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ftf s ILE 2004N 0.00 3.86 0.00 3.17 1.01 -1.26 -0.96 121.20 127.02 1ftf s ILE 2004Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1ftf s ILE 2004Cb 0.00 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1ftf s ILE 2004CO 0.00 0.22 0.82 1.33 0.00 0.00 0.00 174.94 177.31 1ftf n VAL 2005N 2.79 0.66 0.00 2.92 0.24 0.15 -4.92 118.33 120.18 1ftf n VAL 2005Ca 0.05 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 1ftf n VAL 2005Cb 0.46 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1ftf n VAL 2005CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ftf n GLY 2006N -0.33 1.64 3.15 7.63 0.00 -1.22 -4.91 105.19 111.14 1ftf n GLY 2006Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 1ftf n GLY 2006CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ftf s HIS 2007N -2.00 -0.40 -0.05 1.61 5.04 -1.25 -0.57 115.29 117.67 1ftf s HIS 2007Ca 0.00 0.93 -0.14 0.00 -1.54 0.00 0.00 55.06 54.31 1ftf s HIS 2007Cb 0.00 0.12 0.02 0.00 0.04 0.00 0.00 32.58 32.77 1ftf s HIS 2007CO 0.00 -0.24 0.31 0.20 -2.34 0.00 0.00 174.74 172.67 1ftf s GLY 2008N 1.00 -0.17 0.09 1.59 0.00 -0.06 -4.17 107.32 105.60 1ftf s GLY 2008Ca -0.07 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.17 1ftf s GLY 2008CO -0.07 0.31 -0.08 -0.26 0.00 0.00 0.00 173.10 172.99 1ftf s ILE 2009N -0.87 0.77 -0.17 0.90 -4.36 -1.26 0.17 121.20 116.37 1ftf s ILE 2009Ca -0.10 -1.65 -0.23 0.00 -0.26 0.00 0.00 60.65 58.41 1ftf s ILE 2009Cb -0.04 -1.35 0.06 0.00 1.25 0.00 0.00 42.46 42.38 1ftf s ILE 2009CO 0.03 -0.65 0.60 -0.62 0.24 0.00 0.00 174.94 174.54 1ftf s ASP 2010N -2.52 -0.61 -0.04 4.36 -1.08 -0.27 -4.67 116.67 111.84 1ftf s ASP 2010Ca 0.05 1.03 0.05 0.00 -0.52 0.00 0.00 52.55 53.16 1ftf s ASP 2010Cb -0.01 1.03 -0.01 0.00 -1.46 0.00 0.00 42.92 42.47 1ftf s ASP 2010CO -0.02 -0.31 -0.19 -0.63 0.52 0.00 0.00 175.17 174.54 1ftf s ILE 2011N -0.13 1.60 0.03 4.11 1.01 -1.26 -0.70 121.20 125.86 1ftf s ILE 2011Ca -0.03 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.85 1ftf s ILE 2011Cb -0.03 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1ftf s ILE 2011CO 0.03 0.46 -0.14 -1.61 0.00 0.00 0.00 174.94 173.67 1ftf s GLU 2012N -0.05 0.97 -0.16 2.79 0.41 -0.06 -4.97 118.70 117.63 1ftf s GLU 2012Ca -0.03 -0.72 -0.20 0.00 -0.41 0.00 0.00 54.97 53.61 1ftf s GLU 2012Cb -0.12 -0.97 -0.03 0.00 -1.78 0.00 0.00 34.13 31.22 1ftf s GLU 2012CO 0.02 0.25 0.56 -2.00 -0.49 0.00 0.00 175.26 173.60 1ftf s GLU 2013N -1.01 4.28 0.23 1.61 2.12 -1.26 -1.24 118.70 123.43 1ftf s GLU 2013Ca 0.02 0.55 -0.06 0.00 0.36 0.00 0.00 54.97 55.84 1ftf s GLU 2013Cb -0.07 -3.51 0.35 0.00 0.26 0.00 0.00 34.13 31.16 1ftf s GLU 2013CO 0.01 -0.05 1.81 -0.07 -0.54 0.00 0.00 175.26 176.42 1ftf h LEU 2014N 7.48 0.64 -1.14 2.70 3.38 -1.33 -2.17 115.31 124.86 1ftf h LEU 2014Ca -0.36 0.04 0.12 0.00 0.09 0.00 0.00 57.88 57.77 1ftf h LEU 2014Cb 1.16 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1ftf h LEU 2014CO 0.76 0.38 0.60 0.00 0.09 0.00 0.00 178.44 180.26 1ftf h ALA 2015N 1.43 1.64 -0.58 1.53 0.00 -1.93 -1.13 119.26 120.22 1ftf h ALA 2015Ca 0.37 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1ftf h ALA 2015Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ftf h ALA 2015CO -0.23 0.13 -0.00 0.77 0.00 0.00 0.00 179.25 179.91 1ftf h SER 2016N 0.88 1.00 0.17 0.00 0.02 -1.79 -0.69 113.55 113.13 1ftf h SER 2016Ca 0.46 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1ftf h SER 2016Cb 0.54 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1ftf h SER 2016CO -0.22 1.07 -0.08 0.40 -1.14 0.00 0.00 176.83 176.85 1ftf h ILE 2017N 0.91 0.86 -0.49 3.27 1.08 -1.09 -0.88 117.51 121.17 1ftf h ILE 2017Ca 0.16 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 1ftf h ILE 2017Cb 0.55 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 1ftf h ILE 2017CO 0.03 0.03 0.32 1.05 -0.69 0.00 0.00 178.15 178.89 1ftf h GLU 2018N -0.28 0.64 -0.73 2.37 4.11 -1.20 -0.10 114.58 119.39 1ftf h GLU 2018Ca -0.02 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.45 1ftf h GLU 2018Cb 0.22 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1ftf h GLU 2018CO 0.04 0.42 0.48 0.77 0.07 0.00 0.00 179.01 180.79 1ftf h SER 2019N 0.66 0.63 -0.48 3.06 0.02 -0.94 0.31 113.55 116.80 1ftf h SER 2019Ca 0.18 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 1ftf h SER 2019Cb -0.07 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1ftf h SER 2019CO -0.04 0.39 -0.15 0.00 -1.14 0.00 0.00 176.83 175.89 1ftf h ALA 2020N 1.62 0.78 0.00 3.77 0.00 0.11 -1.21 119.26 124.33 1ftf h ALA 2020Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ftf h ALA 2020Cb 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ftf h ALA 2020CO -0.11 0.66 0.00 0.28 0.00 0.00 0.00 179.25 180.08 1ftf n VAL 2021N -4.13 1.09 -0.09 0.00 0.31 0.01 -2.01 118.33 113.51 1ftf n VAL 2021Ca 0.01 0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 64.70 1ftf n VAL 2021Cb 0.42 -1.46 -0.06 0.00 -0.91 0.00 0.00 33.84 31.83 1ftf n VAL 2021CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ftf n THR 2022N -2.10 1.48 0.41 2.52 -1.04 -0.57 -4.27 114.28 110.71 1ftf n THR 2022Ca 0.00 0.05 0.07 0.00 -2.04 0.00 0.00 64.05 62.12 1ftf n THR 2022Cb 0.10 -2.20 0.29 0.00 -1.82 0.00 0.00 70.33 66.70 1ftf n THR 2022CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1ftf n ARG 2023N -4.49 0.03 -3.43 -2.82 3.00 -0.56 -4.22 116.66 104.17 1ftf n ARG 2023Ca -0.23 0.32 -0.21 0.00 -0.00 0.00 0.00 57.85 57.73 1ftf n ARG 2023Cb 0.52 -1.55 -0.11 0.00 0.00 0.00 0.00 32.46 31.32 1ftf n ARG 2023CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ftf s HIS 2024N -3.05 -0.19 0.41 -0.14 3.76 -0.85 -5.02 115.29 110.21 1ftf s HIS 2024Ca 0.05 -0.51 0.19 0.00 -0.15 0.00 0.00 55.06 54.65 1ftf s HIS 2024Cb 0.08 -0.58 1.13 0.00 1.11 0.00 0.00 32.58 34.31 1ftf s HIS 2024CO 0.24 -0.90 1.79 0.93 -0.85 0.00 0.00 174.74 175.95 1ftf h GLU 2025N 8.06 0.36 -0.73 1.40 5.08 -1.74 0.11 114.58 127.12 1ftf h GLU 2025Ca -0.11 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 1ftf h GLU 2025Cb 1.05 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.14 1ftf h GLU 2025CO 0.34 0.24 0.16 0.41 -1.00 0.00 0.00 179.01 179.16 1ftf n GLY 2026N -1.50 3.24 0.25 -3.84 0.00 -1.26 -4.56 105.19 97.52 1ftf n GLY 2026Ca 0.24 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1ftf n GLY 2026CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ftf h PHE 2027N 2.88 -0.56 -0.40 1.61 3.57 -1.07 -2.77 116.94 120.21 1ftf h PHE 2027Ca 0.16 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1ftf h PHE 2027Cb 2.09 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 40.98 1ftf h PHE 2027CO 1.12 -0.32 0.01 0.00 -2.23 0.00 0.00 178.31 176.90 1ftf h ALA 2028N 0.25 0.37 -0.58 2.41 0.00 -1.81 -2.05 119.26 117.85 1ftf h ALA 2028Ca -0.01 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1ftf h ALA 2028Cb 0.43 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ftf h ALA 2028CO -0.04 -0.38 0.39 -0.22 0.00 0.00 0.00 179.25 179.00 1ftf h LYS 2029N 0.12 0.29 0.00 0.00 1.63 -1.81 0.97 116.57 117.76 1ftf h LYS 2029Ca 0.19 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.79 1ftf h LYS 2029Cb 0.27 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1ftf h LYS 2029CO -0.32 0.19 -1.04 0.00 -3.45 0.00 0.00 179.45 174.83 1ftf h ARG 2030N 0.30 0.00 0.11 1.90 3.08 -1.11 -3.34 114.38 115.31 1ftf h ARG 2030Ca 0.27 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.03 1ftf h ARG 2030Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1ftf h ARG 2030CO -0.06 0.66 -1.46 0.28 -1.07 0.00 0.00 179.97 178.31 1ftf h VAL 2031N 0.00 1.23 -3.19 2.04 2.07 -0.72 -3.41 116.25 114.28 1ftf h VAL 2031Ca -0.08 -2.87 -0.65 0.00 0.82 0.00 0.00 66.70 63.92 1ftf h VAL 2031Cb 1.67 2.78 -0.10 0.00 -1.52 0.00 0.00 31.29 34.12 1ftf h VAL 2031CO 0.09 0.82 -0.60 -0.76 0.02 0.00 0.00 177.57 177.14 1ftf s LEU 2032N -6.96 3.78 1.04 2.57 1.43 0.24 -4.67 118.68 116.11 1ftf s LEU 2032Ca -0.07 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 1ftf s LEU 2032Cb 0.07 -2.37 0.24 0.00 0.03 0.00 0.00 46.19 44.15 1ftf s LEU 2032CO 0.86 0.21 1.29 0.42 0.23 0.00 0.00 176.35 179.35 1ftf s THR 2033N -1.31 1.89 0.15 5.49 -4.23 -1.26 -4.73 115.64 111.65 1ftf s THR 2033Ca 0.27 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.62 1ftf s THR 2033Cb -0.12 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1ftf s THR 2033CO 0.19 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 176.04 1ftf h ALA 2034N -1.94 0.54 -0.70 3.99 0.00 -1.97 0.12 119.26 119.29 1ftf h ALA 2034Ca -0.44 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1ftf h ALA 2034Cb 1.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1ftf h ALA 2034CO 0.33 0.03 0.15 1.25 0.00 0.00 0.00 179.25 181.02 1ftf h LEU 2035N 0.55 1.08 -0.97 0.00 5.85 -2.00 -1.22 115.31 118.61 1ftf h LEU 2035Ca 0.15 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1ftf h LEU 2035Cb 0.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1ftf h LEU 2035CO -0.03 1.04 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.40 1ftf h GLU 2036N 1.07 0.25 -0.53 1.25 5.08 -1.84 -2.98 114.58 116.88 1ftf h GLU 2036Ca 0.22 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1ftf h GLU 2036Cb 0.40 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1ftf h GLU 2036CO 0.01 0.61 0.01 0.52 -1.00 0.00 0.00 179.01 179.15 1ftf h MET 2037N 0.21 0.93 -0.22 2.33 2.86 -0.19 -0.27 114.93 120.58 1ftf h MET 2037Ca 0.02 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1ftf h MET 2037Cb 0.79 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1ftf h MET 2037CO 0.06 0.94 0.08 0.93 1.06 0.00 0.00 176.91 179.98 1ftf h GLU 2038N 0.80 0.31 0.00 1.72 5.08 -1.10 0.24 114.58 121.63 1ftf h GLU 2038Ca 0.15 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ftf h GLU 2038Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ftf h GLU 2038CO 0.03 0.26 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.10 1ftf h ARG 2039N 0.31 0.07 -0.65 2.33 9.65 -1.35 -3.21 114.38 121.53 1ftf h ARG 2039Ca 0.08 -0.08 0.11 0.00 -1.10 0.00 0.00 59.98 58.99 1ftf h ARG 2039Cb 0.07 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.60 1ftf h ARG 2039CO -0.01 0.86 0.23 0.35 2.80 0.00 0.00 179.97 184.20 1ftf h PHE 2040N -0.69 0.39 0.00 2.20 3.57 -0.50 -0.93 116.94 120.98 1ftf h PHE 2040Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ftf h PHE 2040Cb 0.90 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1ftf h PHE 2040CO 0.20 0.07 0.00 0.25 -2.23 0.00 0.00 178.31 176.60 1ftf n THR 2041N -5.02 0.89 1.12 4.41 -2.24 0.80 -2.47 114.28 111.77 1ftf n THR 2041Ca 0.10 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 1ftf n THR 2041Cb 0.32 -1.09 0.19 0.00 -2.10 0.00 0.00 70.33 67.65 1ftf n THR 2041CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ftf n SER 2042N -1.94 1.48 -4.96 3.42 7.64 -0.36 -4.93 113.62 113.97 1ftf n SER 2042Ca 0.03 -1.17 -0.20 0.00 1.01 0.00 0.00 58.87 58.53 1ftf n SER 2042Cb 0.21 0.32 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 1ftf n SER 2042CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ftf s LEU 2043N -2.51 3.28 0.16 -3.43 1.43 -1.03 -5.11 118.68 111.47 1ftf s LEU 2043Ca 0.21 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 1ftf s LEU 2043Cb 0.19 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1ftf s LEU 2043CO 0.56 -0.92 0.29 -0.75 0.23 0.00 0.00 176.35 175.76 1ftf s LYS 2044N -4.34 1.14 4.28 1.70 2.20 -1.26 -4.77 119.74 118.68 1ftf s LYS 2044Ca 0.51 -1.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 1ftf s LYS 2044Cb -0.05 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1ftf s LYS 2044CO 0.31 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1ftf n GLY 2045N -0.21 3.02 0.08 5.54 0.00 -1.26 -2.69 105.19 109.67 1ftf n GLY 2045Ca -0.08 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1ftf n GLY 2045CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ftf h ARG 2046N 0.00 -0.01 -0.71 1.61 3.08 -2.00 -2.80 114.38 113.56 1ftf h ARG 2046Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1ftf h ARG 2046Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1ftf h ARG 2046CO 0.00 -0.01 0.47 0.00 -1.07 0.00 0.00 179.97 179.36 1ftf h ARG 2047N -0.01 0.58 -0.16 0.04 3.08 -1.95 0.70 114.38 116.66 1ftf h ARG 2047Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1ftf h ARG 2047Cb 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ftf h ARG 2047CO -0.11 0.38 -0.02 0.37 -1.07 0.00 0.00 179.97 179.52 1ftf h GLN 2048N 0.59 0.29 -0.53 0.04 4.15 -1.28 -0.74 115.11 117.64 1ftf h GLN 2048Ca 0.33 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 1ftf h GLN 2048Cb 0.49 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1ftf h GLN 2048CO -0.11 0.55 0.26 0.82 -1.93 0.00 0.00 178.83 178.42 1ftf h ILE 2049N 0.01 1.19 -0.82 2.39 1.08 -1.19 -2.30 117.51 117.88 1ftf h ILE 2049Ca 0.04 -0.53 0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1ftf h ILE 2049Cb 0.43 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 1ftf h ILE 2049CO 0.01 0.21 0.54 -0.08 -0.69 0.00 0.00 178.15 178.15 1ftf h GLU 2050N 0.70 1.06 0.43 2.37 4.57 -0.78 0.10 114.58 123.04 1ftf h GLU 2050Ca 0.18 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1ftf h GLU 2050Cb 0.10 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1ftf h GLU 2050CO -0.03 0.70 -0.21 -0.92 -1.18 0.00 0.00 179.01 177.38 1ftf h TYR 2051N 1.09 -0.54 -0.41 0.92 5.03 -0.69 0.14 116.97 122.50 1ftf h TYR 2051Ca 0.31 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.64 1ftf h TYR 2051Cb -0.09 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 1ftf h TYR 2051CO -0.00 -0.28 0.21 1.25 -1.32 0.00 0.00 178.16 178.02 1ftf h LEU 2052N -0.69 0.30 -0.77 2.82 5.85 -1.06 -0.57 115.31 121.19 1ftf h LEU 2052Ca -0.06 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1ftf h LEU 2052Cb 0.50 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1ftf h LEU 2052CO 0.10 0.22 0.04 0.00 -0.34 0.00 0.00 178.44 178.45 1ftf h ALA 2053N 1.22 0.98 -0.26 1.25 0.00 -0.74 -1.52 119.26 120.18 1ftf h ALA 2053Ca 0.18 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1ftf h ALA 2053Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ftf h ALA 2053CO -0.12 0.63 -0.28 0.78 0.00 0.00 0.00 179.25 180.25 1ftf h GLY 2054N 1.01 0.56 1.22 0.00 0.00 -0.37 -0.46 103.07 105.04 1ftf h GLY 2054Ca 0.17 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 1ftf h GLY 2054CO 0.02 0.44 -0.22 3.21 0.00 0.00 0.00 176.54 179.99 1ftf h ARG 2055N 0.45 0.89 -0.23 4.80 -0.00 -0.77 -0.09 114.38 119.43 1ftf h ARG 2055Ca 0.06 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.98 59.15 1ftf h ARG 2055Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.65 1ftf h ARG 2055CO 0.06 1.02 0.08 2.35 0.00 0.00 0.00 179.97 183.48 1ftf h TRP 2056N 0.77 0.35 -0.21 3.04 2.91 -0.95 -0.48 115.95 121.38 1ftf h TRP 2056Ca 0.10 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.11 1ftf h TRP 2056Cb 0.77 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.30 1ftf h TRP 2056CO 0.05 0.39 0.08 0.77 -1.03 0.00 0.00 178.44 178.70 1ftf h SER 2057N 0.21 0.11 -0.39 2.65 0.02 -0.87 -0.72 113.55 114.56 1ftf h SER 2057Ca 0.07 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1ftf h SER 2057Cb 0.19 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1ftf h SER 2057CO -0.01 0.09 0.23 0.00 -1.14 0.00 0.00 176.83 176.01 1ftf h ALA 2058N 1.12 0.49 -0.37 3.77 0.00 -0.87 0.18 119.26 123.58 1ftf h ALA 2058Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ftf h ALA 2058Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ftf h ALA 2058CO -0.08 -0.10 -0.09 0.87 0.00 0.00 0.00 179.25 179.84 1ftf h LYS 2059N 0.47 0.64 -0.12 0.00 1.57 -0.86 -1.02 116.57 117.25 1ftf h LYS 2059Ca 0.15 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 1ftf h LYS 2059Cb -0.01 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ftf h LYS 2059CO -0.06 0.73 -0.56 1.49 -0.57 0.00 0.00 179.45 180.48 1ftf h GLU 2060N 0.59 0.60 -0.94 3.15 4.57 -0.84 -1.14 114.58 120.57 1ftf h GLU 2060Ca 0.11 -0.48 0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1ftf h GLU 2060Cb 0.52 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 1ftf h GLU 2060CO 0.03 1.10 0.61 0.00 -1.18 0.00 0.00 179.01 179.57 1ftf h ALA 2061N 0.50 1.27 -0.09 2.92 0.00 -0.47 0.28 119.26 123.67 1ftf h ALA 2061Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ftf h ALA 2061Cb 1.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ftf h ALA 2061CO 0.12 0.45 -0.01 0.35 0.00 0.00 0.00 179.25 180.15 1ftf h PHE 2062N 1.16 0.19 -0.89 0.00 3.04 -1.13 -0.96 116.94 118.34 1ftf h PHE 2062Ca 0.39 -0.04 0.09 0.00 3.98 0.00 0.00 57.97 62.39 1ftf h PHE 2062Cb 0.06 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 38.45 1ftf h PHE 2062CO -0.01 0.46 0.54 0.77 -2.02 0.00 0.00 178.31 178.04 1ftf h SER 2063N -0.13 0.81 0.35 0.41 0.02 -0.64 0.14 113.55 114.50 1ftf h SER 2063Ca 0.03 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1ftf h SER 2063Cb 0.39 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1ftf h SER 2063CO 0.01 0.47 -0.43 0.11 -1.14 0.00 0.00 176.83 175.86 1ftf h LYS 2064N 0.92 0.10 0.00 3.45 1.57 -0.81 0.14 116.57 121.93 1ftf h LYS 2064Ca 0.42 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.08 1ftf h LYS 2064Cb 0.32 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1ftf h LYS 2064CO -0.22 0.51 -0.34 0.00 -0.57 0.00 0.00 179.45 178.83 1ftf h ALA 2065N 1.48 1.28 -0.01 3.86 0.00 0.58 -1.01 119.26 125.44 1ftf h ALA 2065Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ftf h ALA 2065Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ftf h ALA 2065CO 0.06 0.43 -0.06 -1.33 0.00 0.00 0.00 179.25 178.35 1ftf n MET 2066N -3.90 1.09 -0.45 0.00 2.81 0.08 -3.90 117.12 112.85 1ftf n MET 2066Ca -0.02 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.45 1ftf n MET 2066Cb 0.41 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1ftf n MET 2066CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ftf n GLY 2067N 1.18 0.77 0.00 3.03 0.00 -0.38 -5.04 105.19 104.75 1ftf n GLY 2067Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ftf n GLY 2067CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ftf n THR 2068N -2.45 0.00 -4.27 2.61 -2.24 0.40 -4.96 114.28 103.37 1ftf n THR 2068Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1ftf n THR 2068Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1ftf n THR 2068CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ftf s GLY 2069N 0.00 1.16 0.32 3.38 0.00 -1.26 -2.88 107.32 108.04 1ftf s GLY 2069Ca 0.00 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.35 1ftf s GLY 2069CO 0.00 -1.46 1.89 1.19 0.00 0.00 0.00 173.10 174.73 1ftf h ILE 2070N 3.27 1.20 0.00 0.90 6.09 -1.85 -0.61 117.51 126.51 1ftf h ILE 2070Ca -0.39 -0.65 -0.01 0.00 -1.37 0.00 0.00 64.86 62.43 1ftf h ILE 2070Cb 1.20 0.63 -0.00 0.00 0.47 0.00 0.00 36.82 39.12 1ftf h ILE 2070CO 0.54 0.25 -0.05 -1.28 -3.07 0.00 0.00 178.15 174.54 1ftf h SER 2071N 0.73 0.00 0.16 2.19 0.87 -1.97 0.25 113.55 115.78 1ftf h SER 2071Ca 0.17 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.37 1ftf h SER 2071Cb 0.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1ftf h SER 2071CO -0.01 0.05 -2.03 0.29 -0.53 0.00 0.00 176.83 174.59 1ftf n LYS 2072N -3.24 0.73 -0.07 2.24 5.02 -0.71 -4.28 118.16 117.85 1ftf n LYS 2072Ca -0.01 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1ftf n LYS 2072Cb 0.24 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 1ftf n LYS 2072CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1ftf h LEU 2073N 0.05 0.98 0.00 -0.35 7.12 -0.88 -3.50 115.31 118.73 1ftf h LEU 2073Ca -0.43 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.02 1ftf h LEU 2073Cb 2.02 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 41.87 1ftf h LEU 2073CO 0.06 1.36 0.00 0.61 -0.13 0.00 0.00 178.44 180.35 1ftf n GLY 2074N 0.46 1.55 0.35 3.75 0.00 0.87 -4.76 105.19 107.41 1ftf n GLY 2074Ca -0.05 -1.17 0.02 0.00 0.00 0.00 0.00 46.02 44.82 1ftf n GLY 2074CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ftf h PHE 2075N 0.00 0.95 0.00 1.61 -1.00 -1.84 -2.62 116.94 114.04 1ftf h PHE 2075Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1ftf h PHE 2075Cb 0.00 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.24 1ftf h PHE 2075CO 0.00 0.57 0.00 1.04 -1.61 0.00 0.00 178.31 178.31 1ftf n GLN 2076N -4.44 0.06 0.00 1.51 1.13 -1.26 -2.46 117.38 111.92 1ftf n GLN 2076Ca 0.09 0.28 0.13 0.00 -1.94 0.00 0.00 57.00 55.57 1ftf n GLN 2076Cb 0.08 -1.61 0.38 0.00 0.11 0.00 0.00 30.24 29.20 1ftf n GLN 2076CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ftf n ASP 2077N -1.72 1.99 -4.19 1.08 9.92 -0.99 -4.85 116.55 117.80 1ftf n ASP 2077Ca 0.03 -1.66 -0.26 0.00 -0.53 0.00 0.00 54.79 52.37 1ftf n ASP 2077Cb 0.20 0.01 -0.16 0.00 -0.64 0.00 0.00 41.12 40.53 1ftf n ASP 2077CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1ftf s LEU 2078N -2.01 2.02 -0.02 0.64 1.43 -1.03 -3.87 118.68 115.83 1ftf s LEU 2078Ca 0.34 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1ftf s LEU 2078Cb 0.21 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1ftf s LEU 2078CO 0.33 0.22 0.03 -0.70 0.23 0.00 0.00 176.35 176.46 1ftf s GLU 2079N -0.36 -0.03 -0.22 1.70 2.12 -0.60 -4.73 118.70 116.57 1ftf s GLU 2079Ca 0.05 0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.58 1ftf s GLU 2079Cb -0.08 -0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.13 1ftf s GLU 2079CO -0.00 -0.15 -0.12 0.08 -0.54 0.00 0.00 175.26 174.52 1ftf s VAL 2080N 0.98 1.93 0.30 3.70 1.01 -1.26 -1.18 120.40 125.88 1ftf s VAL 2080Ca -0.08 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.66 1ftf s VAL 2080Cb -0.12 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1ftf s VAL 2080CO -0.03 0.15 0.13 0.18 0.00 0.00 0.00 175.10 175.53 1ftf n LEU 2081N 4.57 0.00 -4.26 3.92 4.77 -0.61 -4.89 117.00 120.51 1ftf n LEU 2081Ca -0.16 -1.72 -0.32 0.00 -0.03 0.00 0.00 56.01 53.79 1ftf n LEU 2081Cb 0.45 0.08 -0.17 0.00 -2.33 0.00 0.00 43.42 41.46 1ftf n LEU 2081CO 0.22 -0.36 -0.56 0.20 -1.33 0.00 0.00 177.39 175.55 1ftf s ASN 2082N -2.73 3.11 0.86 -1.43 0.01 -1.26 -1.19 114.94 112.31 1ftf s ASN 2082Ca 0.10 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1ftf s ASN 2082Cb -0.01 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.64 1ftf s ASN 2082CO 0.06 0.22 0.00 -0.46 -1.51 0.00 0.00 177.10 175.41 1ftf n ASN 2083N 3.11 0.00 -0.07 -1.22 0.23 -0.70 -4.84 115.26 111.76 1ftf n ASN 2083Ca -0.18 -0.87 0.02 0.00 -0.53 0.00 0.00 54.58 53.02 1ftf n ASN 2083Cb 0.52 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.57 1ftf n ASN 2083CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1ftf h GLU 2084N 0.00 0.68 -0.01 -3.83 3.07 -2.01 -1.75 114.58 110.75 1ftf h GLU 2084Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1ftf h GLU 2084Cb 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1ftf h GLU 2084CO 0.00 0.48 -0.07 0.54 -1.40 0.00 0.00 179.01 178.56 1ftf n ARG 2085N -4.43 0.92 -0.44 2.33 1.74 -1.26 -4.92 116.66 110.60 1ftf n ARG 2085Ca 0.04 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1ftf n ARG 2085Cb 0.08 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1ftf n ARG 2085CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ftf n GLY 2086N 1.21 0.75 3.79 -0.13 0.00 -0.66 -5.06 105.19 105.09 1ftf n GLY 2086Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1ftf n GLY 2086CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ftf s ALA 2087N -2.41 3.50 0.33 4.61 0.00 -1.26 -4.74 121.76 121.79 1ftf s ALA 2087Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 1ftf s ALA 2087Cb 0.00 -2.83 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 1ftf s ALA 2087CO 0.00 0.30 1.13 -1.25 0.00 0.00 0.00 175.76 175.94 1ftf s PRO 2088N -0.97 4.41 0.03 0.00 0.04 -1.26 -1.72 135.00 135.53 1ftf s PRO 2088Ca 0.33 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 1ftf s PRO 2088Cb -0.21 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.40 1ftf s PRO 2088CO 0.23 -0.00 0.43 1.52 0.04 0.00 0.00 177.00 179.21 1ftf s TYR 2089N -1.29 -0.30 -0.43 0.56 -0.85 -0.33 -4.79 117.35 109.92 1ftf s TYR 2089Ca 0.50 0.33 -0.27 0.00 -0.52 0.00 0.00 57.07 57.11 1ftf s TYR 2089Cb -0.31 0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.28 1ftf s TYR 2089CO 0.40 -0.55 1.01 -0.06 -1.52 0.00 0.00 175.55 174.83 1ftf s PHE 2090N -2.17 2.95 -0.26 -3.49 0.40 -1.26 -1.57 117.98 112.59 1ftf s PHE 2090Ca -0.07 0.69 0.22 0.00 -0.60 0.00 0.00 56.93 57.16 1ftf s PHE 2090Cb -0.01 -4.01 0.05 0.00 0.51 0.00 0.00 43.02 39.56 1ftf s PHE 2090CO -0.00 -1.05 1.15 0.66 0.70 0.00 0.00 175.22 176.68 1ftf h SER 2091N 8.86 0.00 -3.49 1.36 4.64 -1.51 -3.45 113.55 119.95 1ftf h SER 2091Ca -0.23 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.79 1ftf h SER 2091Cb 1.07 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.82 1ftf h SER 2091CO 1.05 0.09 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.28 1ftf s GLN 2092N -3.26 -0.04 -0.21 4.77 -1.52 -1.16 -4.96 119.66 113.28 1ftf s GLN 2092Ca 0.01 0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.35 1ftf s GLN 2092Cb 0.08 -0.27 0.14 0.00 -0.22 0.00 0.00 33.01 32.75 1ftf s GLN 2092CO 0.77 -0.19 1.10 0.00 -0.25 0.00 0.00 175.29 176.72 1ftf s ALA 2093N 1.20 -1.99 -1.45 6.09 0.00 -1.25 -1.56 121.76 122.79 1ftf s ALA 2093Ca -0.08 1.69 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 1ftf s ALA 2093Cb -0.13 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.00 1ftf s ALA 2093CO -0.03 -0.27 2.40 -0.35 0.00 0.00 0.00 175.76 177.51 1ftf n PRO 2094N 0.92 3.60 -3.67 0.00 -0.04 -1.26 -4.81 135.00 129.74 1ftf n PRO 2094Ca -0.08 -2.84 -0.10 0.00 -0.04 0.00 0.00 63.50 60.44 1ftf n PRO 2094Cb 0.58 -2.94 -0.09 0.00 -0.04 0.00 0.00 33.50 31.01 1ftf n PRO 2094CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1ftf s PHE 2095N 1.47 -0.82 -0.72 0.54 5.99 -1.26 -5.05 117.98 118.13 1ftf s PHE 2095Ca 0.53 1.73 0.25 0.00 0.00 0.00 0.00 56.93 59.44 1ftf s PHE 2095Cb 0.15 0.42 0.50 0.00 0.00 0.00 0.00 43.02 44.09 1ftf s PHE 2095CO -0.06 -0.42 1.45 -1.13 -0.00 0.00 0.00 175.22 175.06 1ftf n SER 2096N 3.97 0.66 -1.72 6.13 3.41 -1.26 -4.93 113.62 119.88 1ftf n SER 2096Ca -0.20 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1ftf n SER 2096Cb 0.57 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1ftf n SER 2096CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ftf n GLY 2097N 1.36 0.39 3.84 5.00 0.00 -1.26 -5.06 105.19 109.45 1ftf n GLY 2097Ca 0.04 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 1ftf n GLY 2097CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ftf s LYS 2098N 1.28 3.94 -0.28 1.61 1.02 0.12 -4.93 119.74 122.50 1ftf s LYS 2098Ca 0.00 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.43 1ftf s LYS 2098Cb 0.00 -3.18 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1ftf s LYS 2098CO 0.00 0.66 -0.06 0.42 -0.92 0.00 0.00 175.35 175.45 1ftf s ILE 2099N -1.14 2.56 -0.45 2.17 1.01 -1.26 -1.04 121.20 123.04 1ftf s ILE 2099Ca 0.26 -1.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.20 1ftf s ILE 2099Cb -0.17 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.85 1ftf s ILE 2099CO 0.15 -0.07 0.52 0.26 0.00 0.00 0.00 174.94 175.80 1ftf s TRP 2100N 1.17 3.13 0.01 3.97 0.52 -0.20 -4.77 118.94 122.76 1ftf s TRP 2100Ca -0.07 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 55.67 1ftf s TRP 2100Cb -0.20 -3.18 -0.03 0.00 -1.15 0.00 0.00 33.47 28.91 1ftf s TRP 2100CO -0.03 -0.83 -0.15 -1.17 0.02 0.00 0.00 176.95 174.78 1ftf s LEU 2101N 2.33 2.72 -0.05 2.99 2.96 -1.26 -1.37 118.68 126.99 1ftf s LEU 2101Ca 0.14 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 1ftf s LEU 2101Cb -0.18 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1ftf s LEU 2101CO 0.13 0.28 0.15 -0.55 -1.32 0.00 0.00 176.35 175.04 1ftf s SER 2102N -1.26 -0.14 0.02 3.68 0.15 -0.81 -4.89 113.70 110.44 1ftf s SER 2102Ca 0.14 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.10 1ftf s SER 2102Cb -0.11 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1ftf s SER 2102CO 0.04 -0.08 -0.13 -0.63 1.20 0.00 0.00 173.24 173.65 1ftf s ILE 2103N -0.03 1.01 -0.01 6.45 1.01 -1.26 -1.35 121.20 127.02 1ftf s ILE 2103Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1ftf s ILE 2103Cb -0.02 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.58 1ftf s ILE 2103CO 0.00 0.12 0.22 -0.55 0.00 0.00 0.00 174.94 174.73 1ftf s SER 2104N -0.74 -0.09 0.05 3.58 0.15 0.22 -5.00 113.70 111.87 1ftf s SER 2104Ca 0.03 -0.04 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 1ftf s SER 2104Cb -0.06 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1ftf s SER 2104CO 0.00 -0.40 0.10 -1.38 1.20 0.00 0.00 173.24 172.77 1ftf s HIS 2105N -1.30 0.23 0.00 3.44 -3.43 -1.26 0.64 115.29 113.61 1ftf s HIS 2105Ca -0.14 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.55 1ftf s HIS 2105Cb -0.06 -0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.93 1ftf s HIS 2105CO 0.03 -0.40 0.00 0.25 -2.00 0.00 0.00 174.74 172.62 1ftf n THR 2106N 0.56 0.00 0.21 -5.38 -2.24 0.14 -4.99 114.28 102.58 1ftf n THR 2106Ca -0.18 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.66 1ftf n THR 2106Cb 0.59 -0.65 0.44 0.00 -2.10 0.00 0.00 70.33 68.61 1ftf n THR 2106CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ftf h ASP 2107N 0.00 0.00 0.00 3.42 5.19 -2.03 -3.34 116.42 119.66 1ftf h ASP 2107Ca 0.00 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1ftf h ASP 2107Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ftf h ASP 2107CO 0.00 0.31 -1.64 0.00 -3.12 0.00 0.00 179.24 174.79 1ftf n GLN 2108N -3.79 1.57 -4.30 3.56 6.02 -1.26 -4.90 117.38 114.28 1ftf n GLN 2108Ca -0.01 -0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.76 1ftf n GLN 2108Cb 0.40 -1.27 -0.10 0.00 1.02 0.00 0.00 30.24 30.29 1ftf n GLN 2108CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ftf s PHE 2109N -2.45 1.57 -0.05 1.08 0.40 -1.25 -0.84 117.98 116.44 1ftf s PHE 2109Ca -0.05 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1ftf s PHE 2109Cb 0.05 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.84 1ftf s PHE 2109CO 0.44 0.26 -0.03 0.54 0.70 0.00 0.00 175.22 177.13 1ftf s VAL 2110N -2.80 0.46 0.12 -0.44 0.11 -0.37 0.23 120.40 117.72 1ftf s VAL 2110Ca 0.18 -0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.27 1ftf s VAL 2110Cb -0.01 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1ftf s VAL 2110CO 0.05 0.22 -0.16 0.42 -3.33 0.00 0.00 175.10 172.30 1ftf s THR 2111N 1.16 2.96 0.02 5.04 -4.23 0.21 -0.88 115.64 119.91 1ftf s THR 2111Ca -0.07 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1ftf s THR 2111Cb -0.14 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1ftf s THR 2111CO -0.01 0.08 -0.06 0.00 -0.54 0.00 0.00 174.62 174.08 1ftf s ALA 2112N -1.22 0.49 -0.04 3.99 0.00 0.12 -0.61 121.76 124.48 1ftf s ALA 2112Ca 0.19 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1ftf s ALA 2112Cb -0.10 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ftf s ALA 2112CO 0.11 0.04 -0.05 0.45 0.00 0.00 0.00 175.76 176.31 1ftf s SER 2113N -0.83 0.94 -0.04 0.00 0.15 -0.46 -1.12 113.70 112.34 1ftf s SER 2113Ca -0.04 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.51 1ftf s SER 2113Cb -0.06 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1ftf s SER 2113CO 0.00 -0.03 -0.14 -0.69 1.20 0.00 0.00 173.24 173.58 1ftf s VAL 2114N 0.77 1.16 -0.10 4.45 1.01 0.13 -1.93 120.40 125.89 1ftf s VAL 2114Ca -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1ftf s VAL 2114Cb -0.13 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1ftf s VAL 2114CO 0.00 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 174.68 1ftf s ILE 2115N 0.22 1.40 -0.13 2.22 1.01 -0.47 -0.88 121.20 124.57 1ftf s ILE 2115Ca -0.06 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1ftf s ILE 2115Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1ftf s ILE 2115CO 0.02 0.42 0.15 -0.76 0.00 0.00 0.00 174.94 174.77 1ftf s LEU 2116N 0.94 4.36 -0.00 2.97 1.43 0.26 -1.04 118.68 127.60 1ftf s LEU 2116Ca -0.08 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1ftf s LEU 2116Cb -0.15 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1ftf s LEU 2116CO -0.00 0.37 -0.01 -0.70 0.23 0.00 0.00 176.35 176.24 1ftf s GLU 2117N -0.80 0.07 0.00 1.70 2.12 -0.21 -0.67 118.70 120.91 1ftf s GLU 2117Ca 0.14 -0.02 0.08 0.00 0.36 0.00 0.00 54.97 55.53 1ftf s GLU 2117Cb -0.12 -0.09 0.06 0.00 0.26 0.00 0.00 34.13 34.24 1ftf s GLU 2117CO 0.04 0.00 0.74 0.39 -0.54 0.00 0.00 175.26 175.89