#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2k h TRP 2002N 0.00 0.01 -0.35 0.66 4.06 -2.00 -2.52 115.95 115.81 1f2k h TRP 2002Ca 0.00 -0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 1f2k h TRP 2002Cb 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1f2k h TRP 2002CO 0.00 0.63 -0.25 0.37 -3.56 0.00 0.00 178.44 175.63 1f2k h GLN 2003N 0.00 0.78 0.00 0.49 5.75 -1.96 -2.54 115.11 117.64 1f2k h GLN 2003Ca -0.01 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 1f2k h GLN 2003Cb 1.11 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1f2k h GLN 2003CO 0.08 1.00 0.00 1.79 -2.65 0.00 0.00 178.83 179.06 1f2k h THR 2004N 0.56 0.00 -0.02 2.39 1.35 -1.93 -0.23 112.91 115.03 1f2k h THR 2004Ca 0.07 -0.38 -0.16 0.00 -0.55 0.00 0.00 66.41 65.39 1f2k h THR 2004Cb 0.82 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1f2k h THR 2004CO 0.07 0.00 -0.60 1.88 -0.25 0.00 0.00 175.52 176.62 1f2k h TYR 2005N 0.00 0.64 -0.09 4.73 0.05 -1.25 0.83 116.97 121.89 1f2k h TYR 2005Ca 0.00 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.42 1f2k h TYR 2005Cb 0.50 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 1f2k h TYR 2005CO 0.00 1.14 -0.03 0.28 -1.05 0.00 0.00 178.16 178.51 1f2k h VAL 2006N -0.04 1.30 0.42 -2.88 2.07 -1.08 0.45 116.25 116.49 1f2k h VAL 2006Ca -0.07 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1f2k h VAL 2006Cb 1.29 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1f2k h VAL 2006CO 0.12 0.28 -0.20 0.44 0.02 0.00 0.00 177.57 178.22 1f2k h ASP 2007N -0.16 -0.48 0.44 0.57 3.32 -1.11 -1.21 116.42 117.79 1f2k h ASP 2007Ca 0.02 -0.09 -0.31 0.00 0.02 0.00 0.00 57.03 56.67 1f2k h ASP 2007Cb 0.45 0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1f2k h ASP 2007CO 0.01 -0.05 -1.44 0.74 -1.72 0.00 0.00 179.24 176.78 1f2k h THR 2008N -1.03 1.30 0.00 0.35 2.02 -0.97 0.69 112.91 115.26 1f2k h THR 2008Ca -0.06 -2.84 -0.24 0.00 0.77 0.00 0.00 66.41 64.05 1f2k h THR 2008Cb 0.54 2.91 -0.04 0.00 -1.74 0.00 0.00 68.15 69.82 1f2k h THR 2008CO 0.09 0.85 -1.52 0.78 0.37 0.00 0.00 175.52 176.09 1f2k h ASN 2009N 0.10 0.00 0.00 4.18 2.35 -0.93 -3.34 115.58 117.93 1f2k h ASN 2009Ca -0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1f2k h ASN 2009Cb 2.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.43 1f2k h ASN 2009CO 0.21 0.84 0.00 0.18 -1.65 0.00 0.00 177.43 177.01 1f2k n LEU 2010N -3.02 0.00 -0.02 1.61 4.77 -0.44 -4.62 117.00 115.29 1f2k n LEU 2010Ca -0.13 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.76 1f2k n LEU 2010Cb 0.96 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.85 1f2k n LEU 2010CO 0.44 -0.29 0.52 0.58 -1.33 0.00 0.00 177.39 177.32 1f2k h VAL 2011N 0.00 1.30 0.00 4.08 2.07 -1.37 -3.03 116.25 119.30 1f2k h VAL 2011Ca 0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1f2k h VAL 2011Cb 0.00 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1f2k h VAL 2011CO 0.00 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.73 1f2k n GLY 2012N 0.15 -0.58 0.07 2.17 0.00 0.24 -1.52 105.19 105.73 1f2k n GLY 2012Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1f2k n GLY 2012CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1f2k h THR 2013N 0.00 1.39 0.00 2.61 1.35 -1.65 -3.48 112.91 113.12 1f2k h THR 2013Ca 0.00 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 1f2k h THR 2013Cb 0.03 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1f2k h THR 2013CO 0.00 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1f2k n GLY 2014N 1.45 2.37 0.30 5.82 0.00 -0.58 -4.96 105.19 109.60 1f2k n GLY 2014Ca -0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.13 1f2k n GLY 2014CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f2k h ALA 2015N 0.00 1.16 -3.30 4.61 0.00 -1.83 -3.42 119.26 116.48 1f2k h ALA 2015Ca 0.00 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.42 1f2k h ALA 2015Cb 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.58 1f2k h ALA 2015CO 0.00 0.03 -0.79 0.14 0.00 0.00 0.00 179.25 178.64 1f2k s VAL 2016N -4.18 1.39 -0.08 0.00 -7.23 -1.26 -3.81 120.40 105.23 1f2k s VAL 2016Ca -0.04 -1.53 0.13 0.00 -1.81 0.00 0.00 61.98 58.73 1f2k s VAL 2016Cb 0.13 -1.39 -0.23 0.00 0.56 0.00 0.00 36.38 35.45 1f2k s VAL 2016CO 0.50 -0.24 0.53 0.35 -0.31 0.00 0.00 175.10 175.93 1f2k n THR 2017N 0.94 1.57 -3.80 5.32 -2.24 0.42 -4.57 114.28 111.93 1f2k n THR 2017Ca -0.19 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.67 1f2k n THR 2017Cb 0.55 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 1f2k n THR 2017CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1f2k s GLN 2018N -2.57 0.43 0.02 -0.78 -0.21 -1.16 -4.95 119.66 110.43 1f2k s GLN 2018Ca -0.06 0.03 -0.10 0.00 0.02 0.00 0.00 55.36 55.25 1f2k s GLN 2018Cb 0.08 0.19 0.01 0.00 1.00 0.00 0.00 33.01 34.28 1f2k s GLN 2018CO 0.82 -0.09 0.19 0.00 -2.12 0.00 0.00 175.29 174.10 1f2k s ALA 2019N -0.59 -0.42 0.05 6.09 0.00 -1.26 -1.24 121.76 124.39 1f2k s ALA 2019Ca -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 1f2k s ALA 2019Cb -0.04 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1f2k s ALA 2019CO 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 175.76 175.51 1f2k s ALA 2020N -1.96 0.29 -0.19 0.00 0.00 -0.17 -1.75 121.76 117.98 1f2k s ALA 2020Ca -0.10 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 1f2k s ALA 2020Cb -0.04 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.42 1f2k s ALA 2020CO -0.01 -0.37 -0.06 0.42 0.00 0.00 0.00 175.76 175.75 1f2k s ILE 2021N -3.55 1.24 0.19 0.00 1.01 -1.11 -0.96 121.20 118.02 1f2k s ILE 2021Ca 0.03 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.98 1f2k s ILE 2021Cb 0.05 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1f2k s ILE 2021CO -0.09 0.07 -0.11 0.27 0.00 0.00 0.00 174.94 175.09 1f2k s ILE 2022N 1.56 3.10 0.81 2.92 -4.36 -0.89 -0.35 121.20 124.00 1f2k s ILE 2022Ca -0.01 -1.73 -0.12 0.00 -0.26 0.00 0.00 60.65 58.53 1f2k s ILE 2022Cb -0.16 -2.54 0.08 0.00 1.25 0.00 0.00 42.46 41.09 1f2k s ILE 2022CO -0.08 -0.13 1.12 -0.83 0.24 0.00 0.00 174.94 175.26 1f2k s GLY 2023N -2.88 1.61 0.00 6.27 0.00 0.37 -0.84 107.32 111.84 1f2k s GLY 2023Ca 0.25 -0.40 0.09 0.00 0.00 0.00 0.00 44.72 44.66 1f2k s GLY 2023CO 0.15 0.07 1.16 1.42 0.00 0.00 0.00 173.10 175.90 1f2k n HIS 2024N -3.42 0.00 1.25 1.90 -0.00 -1.24 -0.14 115.22 113.57 1f2k n HIS 2024Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.92 1f2k n HIS 2024Cb 0.58 -0.30 0.38 0.00 -0.00 0.00 0.00 29.99 30.65 1f2k n HIS 2024CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1f2k n ASP 2025N -1.30 1.05 0.00 0.41 5.75 -1.26 -4.84 116.55 116.35 1f2k n ASP 2025Ca 0.04 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1f2k n ASP 2025Cb 0.07 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1f2k n ASP 2025CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f2k n GLY 2026N 1.33 1.35 3.78 6.12 0.00 0.81 -4.45 105.19 114.13 1f2k n GLY 2026Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1f2k n GLY 2026CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f2k s ASN 2027N -2.71 7.40 0.32 1.61 0.01 -1.26 -4.23 114.94 116.08 1f2k s ASN 2027Ca 0.00 1.68 -0.29 0.00 -0.71 0.00 0.00 52.86 53.54 1f2k s ASN 2027Cb 0.00 -2.51 -0.10 0.00 0.41 0.00 0.00 41.25 39.05 1f2k s ASN 2027CO 0.00 0.18 1.24 -0.89 -1.51 0.00 0.00 177.10 176.12 1f2k s THR 2028N -1.20 2.96 -0.20 1.60 2.01 -1.26 -0.48 115.64 119.07 1f2k s THR 2028Ca 0.38 0.96 0.03 0.00 0.31 0.00 0.00 61.69 63.37 1f2k s THR 2028Cb -0.23 -3.61 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 1f2k s THR 2028CO 0.27 0.23 -0.16 0.79 -0.69 0.00 0.00 174.62 175.05 1f2k n TRP 2029N 0.89 0.00 -3.95 4.92 7.02 0.52 -4.88 117.44 121.96 1f2k n TRP 2029Ca -0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1f2k n TRP 2029Cb 0.43 -0.79 -0.04 0.00 -2.42 0.00 0.00 31.31 28.50 1f2k n TRP 2029CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1f2k s ALA 2030N -2.41 -0.52 -0.14 6.99 0.00 -1.12 -4.88 121.76 119.68 1f2k s ALA 2030Ca -0.25 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1f2k s ALA 2030Cb 0.07 0.98 0.12 0.00 0.00 0.00 0.00 23.12 24.29 1f2k s ALA 2030CO 0.49 -0.92 0.97 -0.08 0.00 0.00 0.00 175.76 176.22 1f2k s THR 2031N -3.80 0.00 0.36 0.00 -1.32 -1.26 -2.74 115.64 106.88 1f2k s THR 2031Ca 0.19 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.42 1f2k s THR 2031Cb -0.03 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.87 1f2k s THR 2031CO 0.09 0.00 0.98 -0.94 -2.21 0.00 0.00 174.62 172.54 1f2k s SER 2032N -1.24 7.11 -0.12 8.08 1.04 -0.72 -4.88 113.70 122.97 1f2k s SER 2032Ca -0.02 1.87 -0.11 0.00 0.48 0.00 0.00 55.95 58.17 1f2k s SER 2032Cb -0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 1f2k s SER 2032CO 0.01 -0.23 0.43 0.00 0.98 0.00 0.00 173.24 174.43 1f2k n ALA 2033N 0.19 -0.20 -3.06 5.32 0.00 -1.26 0.16 120.51 121.65 1f2k n ALA 2033Ca 0.04 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1f2k n ALA 2033Cb 0.51 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 1f2k n ALA 2033CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2k n GLY 2034N 1.24 -0.49 3.35 0.00 0.00 -1.26 -4.95 105.19 103.07 1f2k n GLY 2034Ca 0.09 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1f2k n GLY 2034CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1f2k s PHE 2035N -2.84 2.51 -0.25 1.61 5.36 0.42 -5.12 117.98 119.66 1f2k s PHE 2035Ca 0.27 -0.46 -0.14 0.00 -0.96 0.00 0.00 56.93 55.64 1f2k s PHE 2035Cb -0.14 -1.59 0.08 0.00 -0.34 0.00 0.00 43.02 41.02 1f2k s PHE 2035CO 0.33 -0.04 0.61 0.00 -1.46 0.00 0.00 175.22 174.67 1f2k s ALA 2036N -0.44 -1.66 -0.04 11.12 0.00 -1.26 -4.40 121.76 125.08 1f2k s ALA 2036Ca 0.05 2.19 0.07 0.00 0.00 0.00 0.00 51.96 54.26 1f2k s ALA 2036Cb -0.12 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 1f2k s ALA 2036CO 0.01 -0.36 -0.25 0.54 0.00 0.00 0.00 175.76 175.70 1f2k s VAL 2037N 1.60 2.08 0.78 0.00 0.11 -1.26 -4.32 120.40 119.38 1f2k s VAL 2037Ca -0.10 -1.08 -0.13 0.00 -2.93 0.00 0.00 61.98 57.74 1f2k s VAL 2037Cb -0.06 -1.73 0.07 0.00 -1.53 0.00 0.00 36.38 33.13 1f2k s VAL 2037CO -0.18 0.57 1.18 -0.94 -3.33 0.00 0.00 175.10 172.40 1f2k s SER 2038N -0.35 3.90 0.27 3.54 1.04 -1.26 -4.75 113.70 116.09 1f2k s SER 2038Ca 0.02 2.25 0.13 0.00 0.48 0.00 0.00 55.95 58.82 1f2k s SER 2038Cb -0.12 -2.58 0.29 0.00 0.10 0.00 0.00 66.02 63.72 1f2k s SER 2038CO 0.02 -2.46 1.56 -0.65 0.98 0.00 0.00 173.24 172.69 1f2k h PRO 2039N -0.80 0.00 0.43 4.02 0.11 -1.98 -2.60 132.00 131.17 1f2k h PRO 2039Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1f2k h PRO 2039Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1f2k h PRO 2039CO 0.48 0.62 -0.21 0.00 -0.21 0.00 0.00 178.00 178.68 1f2k h ALA 2040N 1.38 -0.58 0.94 -0.75 0.00 -1.91 -2.92 119.26 115.42 1f2k h ALA 2040Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1f2k h ALA 2040Cb 1.22 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1f2k h ALA 2040CO 0.08 -0.72 -0.49 -0.91 0.00 0.00 0.00 179.25 177.20 1f2k h ASN 2041N -0.78 -1.19 -1.33 0.00 2.35 -1.88 -2.75 115.58 110.01 1f2k h ASN 2041Ca -0.06 0.05 0.46 0.00 -0.55 0.00 0.00 56.30 56.20 1f2k h ASN 2041Cb 0.54 0.32 -0.14 0.00 0.05 0.00 0.00 38.32 39.09 1f2k h ASN 2041CO 0.10 -0.80 0.84 1.23 -1.65 0.00 0.00 177.43 177.15 1f2k h GLY 2042N -1.31 1.43 1.53 2.83 0.00 -1.58 0.70 103.07 106.67 1f2k h GLY 2042Ca -0.13 -0.11 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 1f2k h GLY 2042CO 0.19 -0.48 -0.92 0.00 0.00 0.00 0.00 176.54 175.33 1f2k h ALA 2043N 1.64 0.38 -0.80 3.60 0.00 -1.34 -0.20 119.26 122.54 1f2k h ALA 2043Ca 0.86 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1f2k h ALA 2043Cb 2.68 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.41 1f2k h ALA 2043CO -0.48 0.80 0.38 0.00 0.00 0.00 0.00 179.25 179.96 1f2k h ALA 2044N 0.74 1.15 0.68 0.00 0.00 0.62 -0.18 119.26 122.27 1f2k h ALA 2044Ca -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1f2k h ALA 2044Cb 1.55 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1f2k h ALA 2044CO 0.16 0.64 -0.32 1.25 0.00 0.00 0.00 179.25 180.97 1f2k h LEU 2045N 1.14 -0.77 -0.82 0.00 5.85 -1.01 -0.82 115.31 118.88 1f2k h LEU 2045Ca 0.28 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.20 1f2k h LEU 2045Cb 0.13 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.20 1f2k h LEU 2045CO -0.03 -0.48 -0.11 0.00 -0.34 0.00 0.00 178.44 177.47 1f2k h ALA 2046N -1.44 0.69 -0.38 1.25 0.00 -0.93 1.15 119.26 119.60 1f2k h ALA 2046Ca -0.09 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1f2k h ALA 2046Cb 0.70 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1f2k h ALA 2046CO 0.15 -0.43 0.09 -0.97 0.00 0.00 0.00 179.25 178.10 1f2k h ASN 2047N 0.03 0.51 -0.08 0.00 -1.24 -0.86 -2.62 115.58 111.31 1f2k h ASN 2047Ca 0.43 -0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.39 1f2k h ASN 2047Cb 0.72 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.63 1f2k h ASN 2047CO -0.80 0.51 0.06 0.00 -1.29 0.00 0.00 177.43 175.91 1f2k h ALA 2048N 1.56 2.01 0.00 1.57 0.00 0.29 0.24 119.26 124.94 1f2k h ALA 2048Ca 0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1f2k h ALA 2048Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1f2k h ALA 2048CO -0.00 -0.10 -0.20 0.74 0.00 0.00 0.00 179.25 179.68 1f2k h PHE 2049N 0.00 0.00 0.00 0.00 0.04 -1.29 -2.68 116.94 113.01 1f2k h PHE 2049Ca 0.04 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1f2k h PHE 2049Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1f2k h PHE 2049CO 0.00 0.20 -0.35 0.87 -0.60 0.00 0.00 178.31 178.43 1f2k h LYS 2050N 0.00 0.00 -3.56 1.51 1.79 -0.71 -3.38 116.57 112.22 1f2k h LYS 2050Ca -0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 1f2k h LYS 2050Cb 0.41 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.67 1f2k h LYS 2050CO 0.03 0.57 -0.76 0.34 -1.08 0.00 0.00 179.45 178.54 1f2k s ASP 2051N -6.09 3.41 0.07 0.86 3.68 -0.08 -5.01 116.67 113.50 1f2k s ASP 2051Ca -0.15 -1.16 0.24 0.00 2.13 0.00 0.00 52.55 53.60 1f2k s ASP 2051Cb 0.01 -0.71 0.95 0.00 -1.45 0.00 0.00 42.92 41.72 1f2k s ASP 2051CO 0.40 -0.35 1.74 0.00 0.13 0.00 0.00 175.17 177.10 1f2k n ALA 2052N 4.97 2.04 -0.33 3.66 0.00 -1.02 -4.16 120.51 125.67 1f2k n ALA 2052Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.33 1f2k n ALA 2052Cb 0.45 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.58 1f2k n ALA 2052CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f2k h THR 2053N 0.00 0.07 -0.22 0.00 2.02 -1.95 0.24 112.91 113.08 1f2k h THR 2053Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1f2k h THR 2053Cb 0.45 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1f2k h THR 2053CO 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.87 1f2k h ALA 2054N 1.57 0.30 0.00 6.16 0.00 -1.97 -2.77 119.26 122.54 1f2k h ALA 2054Ca 0.37 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1f2k h ALA 2054Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f2k h ALA 2054CO -0.92 0.05 -0.28 -0.84 0.00 0.00 0.00 179.25 177.26 1f2k h ILE 2055N 0.15 0.82 -0.53 0.00 3.07 -1.54 -2.20 117.51 117.28 1f2k h ILE 2055Ca 0.06 -1.14 -0.09 0.00 1.55 0.00 0.00 64.86 65.24 1f2k h ILE 2055Cb 0.45 1.70 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 1f2k h ILE 2055CO 0.02 0.28 -0.02 0.03 -1.05 0.00 0.00 178.15 177.40 1f2k h ARG 2056N 0.00 0.93 0.04 0.16 3.08 -0.41 0.63 114.38 118.81 1f2k h ARG 2056Ca -0.00 -0.29 -0.24 0.00 0.07 0.00 0.00 59.98 59.52 1f2k h ARG 2056Cb 0.67 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1f2k h ARG 2056CO 0.04 0.94 -1.18 0.66 -1.07 0.00 0.00 179.97 179.35 1f2k h SER 2057N 0.85 0.14 0.00 7.04 4.64 -1.18 -3.39 113.55 121.65 1f2k h SER 2057Ca 0.15 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f2k h SER 2057Cb 0.54 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1f2k h SER 2057CO 0.03 1.13 -0.05 0.59 -0.87 0.00 0.00 176.83 177.65 1f2k n ASN 2058N -3.37 1.14 0.00 4.97 3.02 -0.86 -5.12 115.26 115.04 1f2k n ASN 2058Ca -0.05 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 1f2k n ASN 2058Cb 0.98 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 1f2k n ASN 2058CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f2k n GLY 2059N -0.40 0.83 3.59 7.41 0.00 0.22 -4.92 105.19 111.91 1f2k n GLY 2059Ca 0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1f2k n GLY 2059CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1f2k s PHE 2060N 0.00 -0.35 0.16 1.61 -0.71 -0.58 -4.10 117.98 114.02 1f2k s PHE 2060Ca 0.00 0.62 0.04 0.00 -1.04 0.00 0.00 56.93 56.54 1f2k s PHE 2060Cb 0.00 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.22 1f2k s PHE 2060CO 0.00 -0.31 0.22 -1.21 -1.34 0.00 0.00 175.22 172.59 1f2k s GLU 2061N -0.99 3.19 -0.29 1.99 2.02 -1.26 -0.99 118.70 122.36 1f2k s GLU 2061Ca -0.00 -0.74 0.01 0.00 0.02 0.00 0.00 54.97 54.26 1f2k s GLU 2061Cb -0.01 -2.81 0.19 0.00 0.10 0.00 0.00 34.13 31.60 1f2k s GLU 2061CO 0.00 0.50 0.56 -0.51 0.02 0.00 0.00 175.26 175.83 1f2k s LEU 2062N -3.24 -1.36 -1.11 1.80 2.01 -0.14 -4.78 118.68 111.87 1f2k s LEU 2062Ca 0.33 0.50 -0.04 0.00 0.01 0.00 0.00 54.13 54.93 1f2k s LEU 2062Cb -0.10 1.95 0.00 0.00 0.01 0.00 0.00 46.19 48.05 1f2k s LEU 2062CO 0.26 -0.28 0.95 0.00 1.01 0.00 0.00 176.35 178.29 1f2k n ALA 2063N 5.41 -1.46 0.00 4.21 0.00 -1.26 -3.41 120.51 124.01 1f2k n ALA 2063Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1f2k n ALA 2063Cb 0.52 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1f2k n ALA 2063CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2k n GLY 2064N -1.45 2.54 3.72 0.00 0.00 -1.26 -5.01 105.19 103.73 1f2k n GLY 2064Ca -0.13 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1f2k n GLY 2064CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f2k n THR 2065N 0.00 1.83 -3.84 2.61 -1.04 -1.22 -5.02 114.28 107.60 1f2k n THR 2065Ca 0.00 -0.46 -0.30 0.00 -2.04 0.00 0.00 64.05 61.26 1f2k n THR 2065Cb 0.00 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 66.76 1f2k n THR 2065CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1f2k s ARG 2066N -1.70 3.49 0.07 -2.82 6.06 -1.26 -0.97 118.95 121.82 1f2k s ARG 2066Ca 0.57 -0.38 0.02 0.00 -2.50 0.00 0.00 55.73 53.44 1f2k s ARG 2066Cb -0.54 -2.96 -0.03 0.00 0.06 0.00 0.00 34.95 31.48 1f2k s ARG 2066CO 0.61 0.53 -0.07 0.71 -2.50 0.00 0.00 175.30 174.58 1f2k s TYR 2067N -1.64 0.77 0.10 5.12 2.02 -0.16 -4.84 117.35 118.72 1f2k s TYR 2067Ca 0.37 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1f2k s TYR 2067Cb -0.12 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 1f2k s TYR 2067CO 0.28 -0.12 0.14 0.08 -1.57 0.00 0.00 175.55 174.36 1f2k s VAL 2068N -2.50 4.81 -0.20 0.71 1.01 -0.65 -1.52 120.40 122.06 1f2k s VAL 2068Ca 0.01 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 1f2k s VAL 2068Cb -0.02 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1f2k s VAL 2068CO -0.02 0.06 0.70 -0.89 0.00 0.00 0.00 175.10 174.95 1f2k s THR 2069N -1.52 4.96 -0.17 3.92 2.01 -1.26 0.31 115.64 123.89 1f2k s THR 2069Ca 0.31 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.66 1f2k s THR 2069Cb -0.12 -4.01 -0.11 0.00 0.01 0.00 0.00 72.50 68.27 1f2k s THR 2069CO 0.24 0.06 -0.15 0.00 -0.69 0.00 0.00 174.62 174.09 1f2k n ILE 2070N 4.83 0.97 -4.02 1.82 0.13 0.76 -4.93 119.36 118.92 1f2k n ILE 2070Ca 0.01 -0.37 -0.14 0.00 -1.10 0.00 0.00 62.75 61.15 1f2k n ILE 2070Cb 0.49 -1.09 -0.14 0.00 -0.84 0.00 0.00 39.64 38.06 1f2k n ILE 2070CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1f2k s ARG 2071N -2.34 0.24 -0.25 9.51 3.52 -1.12 -4.96 118.95 123.55 1f2k s ARG 2071Ca -0.22 -0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1f2k s ARG 2071Cb 0.06 -0.20 0.14 0.00 -1.56 0.00 0.00 34.95 33.39 1f2k s ARG 2071CO 0.39 0.05 0.40 0.00 -0.81 0.00 0.00 175.30 175.34 1f2k s ALA 2072N -0.20 -1.22 0.00 6.12 0.00 -1.25 -1.21 121.76 124.00 1f2k s ALA 2072Ca -0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1f2k s ALA 2072Cb -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1f2k s ALA 2072CO -0.00 -1.33 0.00 -0.40 0.00 0.00 0.00 175.76 174.03 1f2k n ASP 2073N 5.37 0.34 -0.01 0.00 5.68 -0.09 -5.00 116.55 122.84 1f2k n ASP 2073Ca -0.03 -0.34 0.16 0.00 -0.50 0.00 0.00 54.79 54.08 1f2k n ASP 2073Cb 0.50 0.00 0.94 0.00 -1.14 0.00 0.00 41.12 41.42 1f2k n ASP 2073CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1f2k n ASP 2074N -0.91 0.03 0.00 -1.12 5.75 -1.26 -3.80 116.55 115.24 1f2k n ASP 2074Ca 0.00 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1f2k n ASP 2074Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1f2k n ASP 2074CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1f2k n ARG 2075N -0.98 3.17 -4.42 0.11 0.63 -1.26 -4.89 116.66 109.03 1f2k n ARG 2075Ca 0.24 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.97 1f2k n ARG 2075Cb 0.12 -0.92 -0.15 0.00 0.45 0.00 0.00 32.46 31.95 1f2k n ARG 2075CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1f2k s SER 2076N -2.75 1.21 -0.09 6.15 0.01 -1.25 -1.40 113.70 115.58 1f2k s SER 2076Ca 0.00 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 1f2k s SER 2076Cb 0.00 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.04 1f2k s SER 2076CO 0.00 0.10 -0.01 -0.69 0.41 0.00 0.00 173.24 173.05 1f2k s VAL 2077N -0.04 0.52 -0.09 3.43 1.01 -0.22 -0.91 120.40 124.10 1f2k s VAL 2077Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1f2k s VAL 2077Cb -0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1f2k s VAL 2077CO 0.00 0.22 -0.19 -0.31 0.00 0.00 0.00 175.10 174.82 1f2k s TYR 2078N 1.91 2.64 0.16 5.22 2.02 -0.35 -0.67 117.35 128.28 1f2k s TYR 2078Ca 0.04 -0.71 0.09 0.00 -0.37 0.00 0.00 57.07 56.11 1f2k s TYR 2078Cb -0.13 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1f2k s TYR 2078CO -0.06 -0.22 -0.10 0.20 -1.57 0.00 0.00 175.55 173.79 1f2k s GLY 2079N 0.09 1.73 0.02 0.71 0.00 0.37 -0.17 107.32 110.07 1f2k s GLY 2079Ca -0.09 -1.43 0.05 0.00 0.00 0.00 0.00 44.72 43.25 1f2k s GLY 2079CO 0.06 -1.44 -0.14 1.25 0.00 0.00 0.00 173.10 172.82 1f2k s LYS 2080N -2.68 1.04 -0.36 2.90 2.47 0.15 -0.92 119.74 122.34 1f2k s LYS 2080Ca 0.24 -0.66 0.02 0.00 -1.56 0.00 0.00 55.97 54.01 1f2k s LYS 2080Cb -0.09 -1.04 0.15 0.00 -1.46 0.00 0.00 37.83 35.39 1f2k s LYS 2080CO 0.14 0.27 0.35 0.21 0.16 0.00 0.00 175.35 176.48 1f2k s LYS 2081N -0.80 0.61 7.54 4.03 2.20 0.24 -1.63 119.74 131.92 1f2k s LYS 2081Ca 0.04 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1f2k s LYS 2081Cb -0.07 -0.80 0.00 0.00 -1.51 0.00 0.00 37.83 35.45 1f2k s LYS 2081CO 0.01 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 1f2k n GLY 2082N 4.28 2.77 0.06 5.54 0.00 -1.26 -0.98 105.19 115.60 1f2k n GLY 2082Ca 0.10 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1f2k n GLY 2082CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f2k n SER 2083N 7.42 0.69 -4.73 1.61 7.64 -1.26 -4.88 113.62 120.11 1f2k n SER 2083Ca 0.00 0.07 -0.26 0.00 1.01 0.00 0.00 58.87 59.69 1f2k n SER 2083Cb 0.00 0.42 0.10 0.00 -1.01 0.00 0.00 64.21 63.72 1f2k n SER 2083CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f2k s ALA 2084N -3.22 3.11 0.00 -0.43 0.00 -0.16 -4.23 121.76 116.83 1f2k s ALA 2084Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1f2k s ALA 2084Cb 0.13 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1f2k s ALA 2084CO 0.76 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1f2k n GLY 2085N -3.05 -1.51 2.97 0.00 0.00 -0.73 -0.60 105.19 102.28 1f2k n GLY 2085Ca 0.11 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1f2k n GLY 2085CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2k s VAL 2086N -2.06 -0.01 -0.31 1.61 0.11 -0.09 -0.76 120.40 118.89 1f2k s VAL 2086Ca 0.00 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.02 1f2k s VAL 2086Cb 0.00 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.70 1f2k s VAL 2086CO 0.00 0.01 0.08 -0.63 -3.33 0.00 0.00 175.10 171.23 1f2k s ILE 2087N 0.26 3.85 -0.10 7.04 -1.09 -0.28 -0.48 121.20 130.39 1f2k s ILE 2087Ca -0.02 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1f2k s ILE 2087Cb -0.03 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1f2k s ILE 2087CO -0.01 0.01 -0.17 0.42 -1.23 0.00 0.00 174.94 173.96 1f2k s THR 2088N 1.46 2.72 -0.01 2.92 -4.23 0.15 -1.99 115.64 116.66 1f2k s THR 2088Ca 0.01 -0.80 0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1f2k s THR 2088Cb -0.18 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 1f2k s THR 2088CO 0.02 0.55 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.80 1f2k s VAL 2089N 0.09 1.24 -0.21 2.29 1.01 -0.68 -1.05 120.40 123.09 1f2k s VAL 2089Ca -0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1f2k s VAL 2089Cb -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1f2k s VAL 2089CO 0.05 0.35 0.40 -0.75 0.00 0.00 0.00 175.10 175.15 1f2k s LYS 2090N -0.36 4.16 0.00 2.72 2.20 -0.49 0.92 119.74 128.89 1f2k s LYS 2090Ca 0.06 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1f2k s LYS 2090Cb -0.06 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1f2k s LYS 2090CO -0.01 -0.07 0.00 0.25 -0.36 0.00 0.00 175.35 175.17 1f2k n THR 2091N 4.42 0.00 0.03 3.43 -2.24 0.32 -4.94 114.28 115.30 1f2k n THR 2091Ca -0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1f2k n THR 2091Cb 0.51 -1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 1f2k n THR 2091CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1f2k h SER 2092N 0.00 0.68 0.00 3.42 0.87 -1.74 -3.36 113.55 113.41 1f2k h SER 2092Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1f2k h SER 2092Cb 0.00 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1f2k h SER 2092CO 0.00 1.26 -1.06 0.29 -0.53 0.00 0.00 176.83 176.79 1f2k n LYS 2093N -3.84 1.72 -4.04 2.24 4.76 1.05 -5.02 118.16 115.04 1f2k n LYS 2093Ca -0.07 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.11 1f2k n LYS 2093Cb 0.77 -1.15 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 1f2k n LYS 2093CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f2k n ALA 2094N -1.60 0.51 -3.67 7.82 0.00 -1.15 -3.69 120.51 118.72 1f2k n ALA 2094Ca -0.00 -1.76 -0.19 0.00 0.00 0.00 0.00 53.44 51.48 1f2k n ALA 2094Cb 0.23 1.22 -0.16 0.00 0.00 0.00 0.00 19.45 20.74 1f2k n ALA 2094CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f2k s ILE 2095N -2.91 0.38 0.03 0.00 1.01 -0.02 0.12 121.20 119.80 1f2k s ILE 2095Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 1f2k s ILE 2095Cb 0.01 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 1f2k s ILE 2095CO 0.14 0.20 0.33 -0.76 0.00 0.00 0.00 174.94 174.85 1f2k s LEU 2096N 1.09 4.37 -0.05 2.97 1.43 0.26 -2.09 118.68 126.66 1f2k s LEU 2096Ca -0.09 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1f2k s LEU 2096Cb -0.14 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.35 1f2k s LEU 2096CO -0.01 0.24 -0.06 -0.63 0.23 0.00 0.00 176.35 176.11 1f2k s ILE 2097N -1.30 0.68 -0.21 -0.59 1.01 -0.13 -1.68 121.20 118.98 1f2k s ILE 2097Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1f2k s ILE 2097Cb -0.14 -0.68 0.10 0.00 0.01 0.00 0.00 42.46 41.76 1f2k s ILE 2097CO 0.16 0.26 0.26 -0.83 0.00 0.00 0.00 174.94 174.79 1f2k s GLY 2098N 0.85 -0.11 0.33 6.18 0.00 -0.84 -1.00 107.32 112.72 1f2k s GLY 2098Ca -0.12 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 44.99 1f2k s GLY 2098CO 0.01 2.27 0.62 -1.34 0.00 0.00 0.00 173.10 174.66 1f2k s VAL 2099N 2.39 4.96 0.01 1.40 -7.23 -0.37 -1.13 120.40 120.43 1f2k s VAL 2099Ca 0.08 0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 60.40 1f2k s VAL 2099Cb -0.15 -3.74 -0.00 0.00 0.56 0.00 0.00 36.38 33.05 1f2k s VAL 2099CO -0.13 -0.39 0.12 -0.72 -0.31 0.00 0.00 175.10 173.67 1f2k s TYR 2100N -2.18 0.10 0.00 2.82 -0.85 0.06 -0.44 117.35 116.86 1f2k s TYR 2100Ca 0.46 -0.26 0.00 0.00 -0.52 0.00 0.00 57.07 56.75 1f2k s TYR 2100Cb -0.11 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.15 1f2k s TYR 2100CO 0.31 -0.30 0.00 0.27 -1.52 0.00 0.00 175.55 174.30 1f2k n ASN 2101N 1.26 0.59 0.00 -0.18 0.23 -1.26 -1.76 115.26 114.13 1f2k n ASN 2101Ca -0.22 -0.71 0.03 0.00 -0.53 0.00 0.00 54.58 53.14 1f2k n ASN 2101Cb 0.56 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.39 1f2k n ASN 2101CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1f2k n GLU 2102N -0.50 0.02 0.00 -3.83 0.28 -1.26 -1.74 120.64 113.61 1f2k n GLU 2102Ca 0.00 0.36 0.13 0.00 -0.16 0.00 0.00 57.16 57.49 1f2k n GLU 2102Cb 0.00 -1.50 0.44 0.00 1.43 0.00 0.00 31.44 31.81 1f2k n GLU 2102CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1f2k n LYS 2103N -1.44 1.04 -4.88 3.44 4.01 -1.26 -4.92 118.16 114.15 1f2k n LYS 2103Ca 0.02 -0.59 -0.33 0.00 -0.51 0.00 0.00 58.31 56.90 1f2k n LYS 2103Cb 0.06 -1.49 -0.14 0.00 -0.51 0.00 0.00 35.03 32.95 1f2k n LYS 2103CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1f2k s ILE 2104N -2.36 3.01 -0.26 -0.18 1.01 -0.71 -5.08 121.20 116.63 1f2k s ILE 2104Ca 0.29 -0.72 -0.28 0.00 0.00 0.00 0.00 60.65 59.93 1f2k s ILE 2104Cb 0.20 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1f2k s ILE 2104CO 0.47 0.57 1.90 -1.10 0.00 0.00 0.00 174.94 176.77 1f2k s GLN 2105N -0.42 3.40 0.33 2.79 -1.52 -1.26 -4.86 119.66 118.12 1f2k s GLN 2105Ca 0.05 1.70 0.13 0.00 -1.95 0.00 0.00 55.36 55.29 1f2k s GLN 2105Cb -0.12 -4.22 1.04 0.00 -0.22 0.00 0.00 33.01 29.50 1f2k s GLN 2105CO 0.02 -1.78 1.64 -1.35 -0.25 0.00 0.00 175.29 173.57 1f2k h PRO 2106N 12.99 0.22 -0.01 2.91 0.11 -1.93 0.44 132.00 146.74 1f2k h PRO 2106Ca -0.37 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 1f2k h PRO 2106Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1f2k h PRO 2106CO 1.00 0.15 -0.37 0.78 -0.21 0.00 0.00 178.00 179.35 1f2k h GLY 2107N 0.23 0.01 0.87 -0.55 0.00 -1.99 -2.25 103.07 99.39 1f2k h GLY 2107Ca 0.71 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.97 1f2k h GLY 2107CO -0.66 0.01 -0.09 -0.84 0.00 0.00 0.00 176.54 174.96 1f2k h THR 2108N 0.01 1.29 0.04 4.70 2.02 -0.49 -1.91 112.91 118.56 1f2k h THR 2108Ca -0.00 -1.14 0.02 0.00 0.77 0.00 0.00 66.41 66.06 1f2k h THR 2108Cb 0.66 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1f2k h THR 2108CO 0.05 0.36 -0.21 0.00 0.37 0.00 0.00 175.52 176.09 1f2k h ALA 2109N 0.76 -0.29 -0.66 6.16 0.00 -1.10 -1.28 119.26 122.85 1f2k h ALA 2109Ca 0.07 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1f2k h ALA 2109Cb 0.58 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1f2k h ALA 2109CO 0.03 -0.71 0.32 0.00 0.00 0.00 0.00 179.25 178.89 1f2k h ALA 2110N 0.50 0.89 -0.61 0.00 0.00 -1.30 -1.36 119.26 117.38 1f2k h ALA 2110Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f2k h ALA 2110Cb 0.41 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1f2k h ALA 2110CO -0.17 -0.06 0.40 -0.91 0.00 0.00 0.00 179.25 178.51 1f2k h ASN 2111N 0.57 0.71 0.77 0.00 2.35 -0.98 0.27 115.58 119.27 1f2k h ASN 2111Ca 0.32 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1f2k h ASN 2111Cb 0.31 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1f2k h ASN 2111CO -0.25 0.52 -0.37 0.58 -1.65 0.00 0.00 177.43 176.26 1f2k h VAL 2112N 0.83 0.18 -0.47 2.81 2.07 -0.17 -0.76 116.25 120.73 1f2k h VAL 2112Ca 0.22 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1f2k h VAL 2112Cb -0.08 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 1f2k h VAL 2112CO -0.05 0.01 0.22 0.58 0.02 0.00 0.00 177.57 178.36 1f2k h VAL 2113N -1.13 0.94 0.00 2.57 2.07 -1.30 -1.94 116.25 117.46 1f2k h VAL 2113Ca -0.11 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1f2k h VAL 2113Cb 0.81 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1f2k h VAL 2113CO 0.17 0.08 -0.20 -0.33 0.02 0.00 0.00 177.57 177.32 1f2k h GLU 2114N 0.44 0.00 0.06 1.57 4.39 -0.45 -0.87 114.58 119.73 1f2k h GLU 2114Ca 0.21 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1f2k h GLU 2114Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1f2k h GLU 2114CO -0.16 0.20 -0.03 -0.22 -1.16 0.00 0.00 179.01 177.63 1f2k h LYS 2115N 0.00 -0.08 -0.07 2.33 3.64 -0.40 -0.80 116.57 121.18 1f2k h LYS 2115Ca -0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1f2k h LYS 2115Cb 0.38 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1f2k h LYS 2115CO 0.03 0.34 -0.11 1.25 -2.27 0.00 0.00 179.45 178.68 1f2k h LEU 2116N -0.53 -0.35 -0.23 5.20 5.85 -1.15 0.67 115.31 124.78 1f2k h LEU 2116Ca -0.01 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1f2k h LEU 2116Cb 0.46 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1f2k h LEU 2116CO 0.01 -0.16 -0.26 0.00 -0.34 0.00 0.00 178.44 177.70 1f2k h ALA 2117N 0.87 -0.17 -0.90 1.25 0.00 -1.10 0.22 119.26 119.44 1f2k h ALA 2117Ca 0.07 0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1f2k h ALA 2117Cb 0.25 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1f2k h ALA 2117CO -0.17 -0.69 0.58 -0.44 0.00 0.00 0.00 179.25 178.53 1f2k h ASP 2118N -0.27 0.63 0.19 0.00 3.32 -0.50 0.17 116.42 119.95 1f2k h ASP 2118Ca 0.13 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1f2k h ASP 2118Cb 0.48 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1f2k h ASP 2118CO -0.39 0.31 -0.09 0.22 -1.72 0.00 0.00 179.24 177.57 1f2k h TYR 2119N 0.66 -0.23 0.20 4.55 3.20 0.17 -2.64 116.97 122.88 1f2k h TYR 2119Ca 0.46 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.33 1f2k h TYR 2119Cb 0.78 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1f2k h TYR 2119CO -0.00 0.09 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.30 1f2k h LEU 2120N -0.56 -0.65 -1.77 2.82 3.38 0.43 -0.18 115.31 118.78 1f2k h LEU 2120Ca -0.03 0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1f2k h LEU 2120Cb 0.42 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1f2k h LEU 2120CO 0.04 -0.34 0.66 0.40 0.09 0.00 0.00 178.44 179.29 1f2k h ILE 2121N -0.49 0.56 -0.04 1.22 2.04 -0.77 0.90 117.51 120.93 1f2k h ILE 2121Ca 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1f2k h ILE 2121Cb 0.47 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1f2k h ILE 2121CO -0.08 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.71 1f2k n GLY 2122N -1.63 0.07 0.01 5.37 0.00 -0.09 -2.02 105.19 106.90 1f2k n GLY 2122Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1f2k n GLY 2122CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f2k n GLN 2123N -0.22 1.85 -0.67 1.61 1.13 0.30 -4.95 117.38 116.43 1f2k n GLN 2123Ca 0.02 -1.17 0.00 0.00 -1.94 0.00 0.00 57.00 53.91 1f2k n GLN 2123Cb 0.14 -0.83 0.00 0.00 0.11 0.00 0.00 30.24 29.66 1f2k n GLN 2123CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1f2k n GLY 2124N -0.34 0.73 0.83 1.08 0.00 -0.86 -5.08 105.19 101.55 1f2k n GLY 2124Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1f2k n GLY 2124CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01