#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxn s THR 2003N 0.00 3.13 0.31 1.39 -1.32 -1.03 -0.45 115.64 117.66 1lxn s THR 2003Ca 0.00 -0.69 -0.09 0.00 -1.21 0.00 0.00 61.69 59.69 1lxn s THR 2003Cb 0.00 -2.24 0.01 0.00 -1.51 0.00 0.00 72.50 68.76 1lxn s THR 2003CO 0.00 0.59 0.53 0.00 -2.21 0.00 0.00 174.62 173.53 1lxn s ALA 2004N -0.65 0.05 -0.02 11.08 0.00 0.48 -0.45 121.76 132.25 1lxn s ALA 2004Ca 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1lxn s ALA 2004Cb -0.11 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.07 1lxn s ALA 2004CO 0.01 -0.85 0.00 -2.00 0.00 0.00 0.00 175.76 172.92 1lxn s GLU 2005N -3.39 0.23 -0.05 0.00 2.12 -0.38 0.77 118.70 118.00 1lxn s GLU 2005Ca 0.24 0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.67 1lxn s GLU 2005Cb -0.01 -0.39 0.00 0.00 0.26 0.00 0.00 34.13 33.99 1lxn s GLU 2005CO 0.14 -0.10 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.43 1lxn s LEU 2006N 0.81 1.84 -0.06 2.70 2.96 0.11 -1.45 118.68 125.59 1lxn s LEU 2006Ca -0.08 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1lxn s LEU 2006Cb -0.11 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1lxn s LEU 2006CO -0.02 0.11 -0.07 0.42 -1.32 0.00 0.00 176.35 175.47 1lxn s THR 2007N 0.20 0.80 -0.19 3.68 -4.23 -0.45 -0.42 115.64 115.02 1lxn s THR 2007Ca -0.06 -0.25 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1lxn s THR 2007Cb -0.12 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 72.96 1lxn s THR 2007CO 0.02 0.29 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.57 1lxn s VAL 2008N 1.03 1.85 -0.15 2.29 1.01 -1.26 -0.47 120.40 124.69 1lxn s VAL 2008Ca -0.09 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1lxn s VAL 2008Cb -0.14 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1lxn s VAL 2008CO -0.00 0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.62 1lxn s ILE 2009N 1.33 1.69 0.12 2.22 1.01 0.33 -4.70 121.20 123.20 1lxn s ILE 2009Ca 0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1lxn s ILE 2009Cb -0.15 -1.56 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 1lxn s ILE 2009CO -0.10 0.48 1.24 -2.16 0.00 0.00 0.00 174.94 174.40 1lxn s PRO 2010N 1.40 4.43 -0.09 2.79 0.04 -1.26 -0.71 135.00 141.59 1lxn s PRO 2010Ca 0.04 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1lxn s PRO 2010Cb -0.13 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1lxn s PRO 2010CO -0.10 -0.23 -0.01 -0.51 0.04 0.00 0.00 177.00 176.19 1lxn s LEU 2011N 0.54 3.51 -0.16 -3.56 1.02 0.15 -4.51 118.68 115.68 1lxn s LEU 2011Ca 0.58 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.83 1lxn s LEU 2011Cb -0.32 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.08 1lxn s LEU 2011CO 0.32 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.66 1lxn n GLY 2012N 2.27 0.52 3.69 -3.19 0.00 -1.26 -4.34 105.19 102.88 1lxn n GLY 2012Ca -0.18 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1lxn n GLY 2012CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lxn s THR 2013N -2.02 2.43 -0.49 2.61 -4.23 -1.26 -4.92 115.64 107.76 1lxn s THR 2013Ca 0.00 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 1lxn s THR 2013Cb 0.00 -2.57 0.60 0.00 1.34 0.00 0.00 72.50 71.86 1lxn s THR 2013CO 0.00 -0.18 1.93 0.00 -0.54 0.00 0.00 174.62 175.83 1lxn s SER 2015N -1.36 -0.67 0.00 0.00 0.15 -1.26 -5.03 113.70 105.53 1lxn s SER 2015Ca 0.57 0.88 0.28 0.00 0.70 0.00 0.00 55.95 58.38 1lxn s SER 2015Cb 0.47 0.75 1.00 0.00 -1.71 0.00 0.00 66.02 66.54 1lxn s SER 2015CO 0.08 -0.51 1.74 0.35 1.20 0.00 0.00 173.24 176.10 1lxn n THR 2016N 1.32 0.00 -2.88 6.45 -2.24 -1.26 -4.71 114.28 110.96 1lxn n THR 2016Ca -0.17 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1lxn n THR 2016Cb 0.57 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 1lxn n THR 2016CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1lxn s SER 2017N -2.81 6.53 0.00 3.42 0.15 -1.26 -4.90 113.70 114.83 1lxn s SER 2017Ca 0.18 0.24 0.09 0.00 0.70 0.00 0.00 55.95 57.16 1lxn s SER 2017Cb 0.19 -2.42 0.16 0.00 -1.71 0.00 0.00 66.02 62.24 1lxn s SER 2017CO 0.56 -0.89 1.00 0.18 1.20 0.00 0.00 173.24 175.29 1lxn n LEU 2018N 6.78 2.26 -0.33 3.45 4.77 -1.26 -4.76 117.00 127.90 1lxn n LEU 2018Ca 0.05 -1.48 0.08 0.00 -0.03 0.00 0.00 56.01 54.63 1lxn n LEU 2018Cb 0.48 -0.09 0.28 0.00 -2.33 0.00 0.00 43.42 41.76 1lxn n LEU 2018CO 0.59 0.51 1.23 0.28 -1.33 0.00 0.00 177.39 178.67 1lxn h SER 2019N 1.76 0.85 0.34 -1.43 0.02 -1.99 -1.21 113.55 111.89 1lxn h SER 2019Ca 0.00 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.91 1lxn h SER 2019Cb 0.54 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1lxn h SER 2019CO 0.00 0.45 -0.36 0.28 -1.14 0.00 0.00 176.83 176.06 1lxn h SER 2020N 0.91 0.04 -0.03 3.07 0.02 -1.99 -0.30 113.55 115.27 1lxn h SER 2020Ca 0.48 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.38 1lxn h SER 2020Cb 0.54 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1lxn h SER 2020CO -0.24 0.41 -0.13 1.88 -1.14 0.00 0.00 176.83 177.60 1lxn h TYR 2021N 0.04 0.19 -0.84 3.45 0.05 -1.61 -2.58 116.97 115.67 1lxn h TYR 2021Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1lxn h TYR 2021Cb 0.66 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 1lxn h TYR 2021CO 0.00 0.77 0.54 0.28 -1.05 0.00 0.00 178.16 178.71 1lxn h VAL 2022N -0.45 1.22 -0.62 -2.88 2.07 -1.18 -1.31 116.25 113.11 1lxn h VAL 2022Ca -0.01 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1lxn h VAL 2022Cb 0.79 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1lxn h VAL 2022CO 0.03 0.22 0.28 0.00 0.02 0.00 0.00 177.57 178.12 1lxn h ALA 2023N 1.45 1.32 -0.60 1.67 0.00 -1.06 -0.07 119.26 121.98 1lxn h ALA 2023Ca 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1lxn h ALA 2023Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1lxn h ALA 2023CO -0.06 0.52 0.20 0.00 0.00 0.00 0.00 179.25 179.91 1lxn h ALA 2024N 1.42 0.79 0.06 0.00 0.00 -0.84 0.49 119.26 121.18 1lxn h ALA 2024Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lxn h ALA 2024Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1lxn h ALA 2024CO -0.02 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.64 1lxn h ALA 2025N 1.07 -0.08 -0.78 0.00 0.00 -0.65 -2.69 119.26 116.12 1lxn h ALA 2025Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1lxn h ALA 2025Cb 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1lxn h ALA 2025CO -0.01 -0.52 0.46 0.28 0.00 0.00 0.00 179.25 179.47 1lxn h VAL 2026N -0.14 1.22 -0.84 0.00 2.07 -0.86 -2.52 116.25 115.18 1lxn h VAL 2026Ca -0.01 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1lxn h VAL 2026Cb 0.12 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 1lxn h VAL 2026CO 0.01 0.23 0.55 -0.08 0.02 0.00 0.00 177.57 178.31 1lxn h GLU 2027N 1.08 0.93 0.00 1.57 4.57 -0.64 -1.12 114.58 120.98 1lxn h GLU 2027Ca 0.28 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 1lxn h GLU 2027Cb -0.03 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.34 1lxn h GLU 2027CO -0.05 0.62 -0.31 0.00 -1.18 0.00 0.00 179.01 178.09 1lxn h ALA 2028N 1.54 1.41 0.00 2.92 0.00 -1.13 -2.62 119.26 121.37 1lxn h ALA 2028Ca 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1lxn h ALA 2028Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lxn h ALA 2028CO -0.12 0.38 -0.13 -0.07 0.00 0.00 0.00 179.25 179.31 1lxn h LEU 2029N 0.00 0.00 -2.09 0.00 3.38 -1.18 -3.00 115.31 112.42 1lxn h LEU 2029Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1lxn h LEU 2029Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1lxn h LEU 2029CO 0.04 0.13 -0.07 0.11 0.09 0.00 0.00 178.44 178.74 1lxn h LYS 2030N 0.00 0.00 -0.27 1.13 1.57 -1.46 -2.24 116.57 115.30 1lxn h LYS 2030Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lxn h LYS 2030Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1lxn h LYS 2030CO 0.02 0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.59 1lxn n LYS 2031N -3.99 1.80 -4.47 3.15 5.02 -1.13 -4.92 118.16 113.61 1lxn n LYS 2031Ca -0.03 -1.22 -0.25 0.00 -2.02 0.00 0.00 58.31 54.79 1lxn n LYS 2031Cb 0.15 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 33.72 1lxn n LYS 2031CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1lxn s LEU 2032N -1.29 2.74 -1.57 -0.35 1.43 -0.84 -5.04 118.68 113.77 1lxn s LEU 2032Ca 0.29 -1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1lxn s LEU 2032Cb 0.15 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 1lxn s LEU 2032CO 0.22 -0.10 2.79 -3.20 0.23 0.00 0.00 176.35 176.29 1lxn n ASN 2033N -0.76 8.02 -4.11 2.29 2.85 -1.26 -4.85 115.26 117.44 1lxn n ASN 2033Ca -0.05 -2.68 -0.09 0.00 -0.11 0.00 0.00 54.58 51.65 1lxn n ASN 2033Cb 0.62 -1.55 -0.10 0.00 1.24 0.00 0.00 39.78 39.99 1lxn n ASN 2033CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1lxn s VAL 2034N 1.89 0.41 -0.09 3.44 -7.23 -1.26 -4.56 120.40 113.00 1lxn s VAL 2034Ca 0.65 -1.79 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1lxn s VAL 2034Cb 0.17 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 1lxn s VAL 2034CO -0.07 -0.90 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.15 1lxn s ARG 2035N -3.68 3.00 0.17 4.82 3.52 -0.67 -4.98 118.95 121.13 1lxn s ARG 2035Ca 0.07 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 1lxn s ARG 2035Cb 0.05 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 1lxn s ARG 2035CO -0.07 0.53 -0.15 1.52 -0.81 0.00 0.00 175.30 176.33 1lxn s TYR 2036N -0.46 1.59 -0.10 5.12 -0.85 -1.26 -1.56 117.35 119.84 1lxn s TYR 2036Ca 0.07 -0.57 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 1lxn s TYR 2036Cb -0.12 -0.78 0.05 0.00 0.38 0.00 0.00 41.96 41.49 1lxn s TYR 2036CO 0.02 0.26 0.21 -2.00 -1.52 0.00 0.00 175.55 172.52 1lxn s GLU 2037N -3.23 0.10 -0.09 -3.49 2.12 -0.16 -4.97 118.70 108.99 1lxn s GLU 2037Ca 0.17 0.62 -0.29 0.00 0.36 0.00 0.00 54.97 55.82 1lxn s GLU 2037Cb -0.02 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.19 1lxn s GLU 2037CO 0.05 -0.28 0.99 0.42 -0.54 0.00 0.00 175.26 175.90 1lxn s ILE 2038N 2.18 4.81 0.28 -3.70 1.01 -1.26 0.04 121.20 124.56 1lxn s ILE 2038Ca 0.01 2.02 0.10 0.00 0.00 0.00 0.00 60.65 62.78 1lxn s ILE 2038Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1lxn s ILE 2038CO -0.07 0.04 -0.07 -0.44 0.00 0.00 0.00 174.94 174.40 1lxn s SER 2039N 1.08 4.17 0.00 3.58 0.01 -1.26 -4.95 113.70 116.33 1lxn s SER 2039Ca 0.48 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1lxn s SER 2039Cb -0.19 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1lxn s SER 2039CO 0.20 -0.03 1.10 0.61 0.41 0.00 0.00 173.24 175.54 1lxn n GLY 2040N -0.81 1.64 3.52 3.44 0.00 -1.26 -4.65 105.19 107.07 1lxn n GLY 2040Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1lxn n GLY 2040CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lxn s GLY 2042N 1.73 1.56 -0.19 -0.02 0.00 -1.26 -5.27 107.32 103.86 1lxn s GLY 2042Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 44.72 44.48 1lxn s GLY 2042CO 0.00 0.60 0.32 -1.59 0.00 0.00 0.00 173.10 172.42 1lxn s THR 2043N -2.52 5.27 0.18 0.90 2.01 0.44 -4.75 115.64 117.17 1lxn s THR 2043Ca 0.68 0.56 -0.25 0.00 0.31 0.00 0.00 61.69 62.99 1lxn s THR 2043Cb -0.24 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 1lxn s THR 2043CO 0.63 0.33 0.78 -0.76 -0.69 0.00 0.00 174.62 174.92 1lxn s LEU 2044N 0.87 4.56 0.10 4.42 1.02 0.11 0.10 118.68 129.86 1lxn s LEU 2044Ca 0.16 1.64 0.05 0.00 0.02 0.00 0.00 54.13 56.01 1lxn s LEU 2044Cb -0.14 -3.36 -0.03 0.00 0.02 0.00 0.00 46.19 42.68 1lxn s LEU 2044CO 0.06 0.18 -0.13 -0.76 0.02 0.00 0.00 176.35 175.72 1lxn s LEU 2045N -1.27 2.35 -0.05 1.79 1.43 0.23 -0.98 118.68 122.19 1lxn s LEU 2045Ca 0.37 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1lxn s LEU 2045Cb -0.22 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.55 1lxn s LEU 2045CO 0.26 -0.15 -0.02 -1.61 0.23 0.00 0.00 176.35 175.06 1lxn s GLU 2046N -2.33 0.62 0.09 1.70 2.02 -0.60 -0.39 118.70 119.81 1lxn s GLU 2046Ca 0.04 0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.06 1lxn s GLU 2046Cb -0.06 -0.78 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1lxn s GLU 2046CO 0.02 -0.16 -0.08 0.00 0.02 0.00 0.00 175.26 175.06 1lxn s ALA 2047N 1.25 0.94 0.03 5.21 0.00 0.41 -1.66 121.76 127.94 1lxn s ALA 2047Ca -0.06 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 1lxn s ALA 2047Cb -0.13 0.11 -0.35 0.00 0.00 0.00 0.00 23.12 22.74 1lxn s ALA 2047CO -0.02 -0.15 1.01 0.93 0.00 0.00 0.00 175.76 177.53 1lxn h GLU 2048N 3.37 0.55 -4.44 0.00 4.39 -1.86 0.22 114.58 116.81 1lxn h GLU 2048Ca -0.36 -0.92 -0.20 0.00 0.34 0.00 0.00 59.36 58.22 1lxn h GLU 2048Cb 1.18 0.34 -0.15 0.00 -0.10 0.00 0.00 28.75 30.02 1lxn h GLU 2048CO 0.58 1.44 -0.59 0.16 -1.16 0.00 0.00 179.01 179.43 1lxn s ASP 2049N -7.57 0.20 0.22 1.42 -4.77 -1.26 -4.62 116.67 100.29 1lxn s ASP 2049Ca -0.09 -1.26 -0.05 0.00 -3.30 0.00 0.00 52.55 47.84 1lxn s ASP 2049Cb 0.04 0.36 0.20 0.00 -1.09 0.00 0.00 42.92 42.43 1lxn s ASP 2049CO 0.95 -0.81 1.69 0.25 0.70 0.00 0.00 175.17 177.95 1lxn h LEU 2050N 2.71 0.89 -0.67 2.11 5.85 -2.00 -3.10 115.31 121.10 1lxn h LEU 2050Ca -0.35 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 1lxn h LEU 2050Cb 1.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1lxn h LEU 2050CO 0.55 0.97 0.40 0.44 -0.34 0.00 0.00 178.44 180.45 1lxn h ASP 2051N 0.83 0.81 -0.11 1.25 3.32 -2.03 -2.56 116.42 117.93 1lxn h ASP 2051Ca 0.15 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1lxn h ASP 2051Cb 0.54 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1lxn h ASP 2051CO 0.03 0.64 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.68 1lxn h GLU 2052N 0.91 0.50 -1.10 3.56 4.39 -1.95 -0.39 114.58 120.51 1lxn h GLU 2052Ca 0.24 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1lxn h GLU 2052Cb -0.02 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1lxn h GLU 2052CO -0.04 0.66 0.00 -0.11 -1.16 0.00 0.00 179.01 178.36 1lxn n LEU 2053N -4.17 0.70 0.00 1.33 7.94 -0.97 -0.99 117.00 120.85 1lxn n LEU 2053Ca 0.00 -0.35 0.00 0.00 -1.11 0.00 0.00 56.01 54.55 1lxn n LEU 2053Cb 0.36 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.15 1lxn n LEU 2053CO 0.41 0.13 0.00 -0.62 -1.11 0.00 0.00 177.39 176.20 1lxn n GLU 2055N 0.62 0.00 -0.24 1.96 -0.58 -0.16 -1.65 120.64 120.60 1lxn n GLU 2055Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1lxn n GLU 2055Cb 0.13 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.04 1lxn n GLU 2055CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lxn h ALA 2056N 0.00 0.86 -0.42 0.62 0.00 -1.32 -0.22 119.26 118.78 1lxn h ALA 2056Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1lxn h ALA 2056Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1lxn h ALA 2056CO 0.00 0.38 -0.07 0.28 0.00 0.00 0.00 179.25 179.84 1lxn h VAL 2057N 0.92 1.27 -0.64 0.00 2.07 -1.57 -1.27 116.25 117.03 1lxn h VAL 2057Ca 0.23 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1lxn h VAL 2057Cb 0.06 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1lxn h VAL 2057CO -0.04 0.39 0.25 0.50 0.02 0.00 0.00 177.57 178.69 1lxn h LYS 2058N 0.62 0.96 -0.50 1.57 3.64 -1.76 -1.63 116.57 119.47 1lxn h LYS 2058Ca 0.11 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1lxn h LYS 2058Cb 0.59 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1lxn h LYS 2058CO 0.04 0.81 0.14 0.00 -2.27 0.00 0.00 179.45 178.17 1lxn h ALA 2059N 1.10 0.66 -0.18 5.00 0.00 -0.86 0.26 119.26 125.24 1lxn h ALA 2059Ca 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1lxn h ALA 2059Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1lxn h ALA 2059CO -0.02 0.33 0.08 0.00 0.00 0.00 0.00 179.25 179.65 1lxn h ALA 2060N 1.00 0.23 -0.09 0.00 0.00 -1.10 -0.49 119.26 118.80 1lxn h ALA 2060Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1lxn h ALA 2060Cb 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1lxn h ALA 2060CO -0.00 -0.21 -0.08 1.25 0.00 0.00 0.00 179.25 180.21 1lxn h HIS 2061N 0.15 -0.20 -0.79 0.00 6.17 -1.17 -2.33 115.15 116.99 1lxn h HIS 2061Ca 0.06 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.18 1lxn h HIS 2061Cb 0.12 0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.11 1lxn h HIS 2061CO -0.02 -0.13 0.52 0.93 0.71 0.00 0.00 177.93 179.94 1lxn h GLU 2062N -0.10 0.98 -0.99 5.26 4.39 -0.75 -2.39 114.58 120.98 1lxn h GLU 2062Ca 0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1lxn h GLU 2062Cb 0.19 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1lxn h GLU 2062CO -0.15 0.65 0.63 0.00 -1.16 0.00 0.00 179.01 178.97 1lxn h ALA 2063N 1.53 1.25 -0.09 3.43 0.00 -0.55 0.23 119.26 125.06 1lxn h ALA 2063Ca 0.30 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1lxn h ALA 2063Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1lxn h ALA 2063CO -0.08 0.67 -0.52 0.28 0.00 0.00 0.00 179.25 179.60 1lxn h VAL 2064N 1.35 1.35 -0.17 0.00 2.07 -1.12 0.21 116.25 119.94 1lxn h VAL 2064Ca 0.36 -1.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.04 1lxn h VAL 2064Cb -0.12 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1lxn h VAL 2064CO -0.07 0.53 -0.11 -0.07 0.02 0.00 0.00 177.57 177.86 1lxn h LEU 2065N 0.20 0.39 -1.18 2.57 3.38 -1.08 -2.59 115.31 117.01 1lxn h LEU 2065Ca 0.01 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1lxn h LEU 2065Cb 0.99 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1lxn h LEU 2065CO 0.08 0.75 0.57 1.56 0.09 0.00 0.00 178.44 181.49 1lxn h GLN 2066N 0.04 1.02 0.00 1.13 4.20 -0.33 -0.93 115.11 120.24 1lxn h GLN 2066Ca 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1lxn h GLN 2066Cb 0.62 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1lxn h GLN 2066CO 0.03 0.68 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 1lxn n ALA 2067N -2.40 1.68 0.00 3.87 0.00 0.04 -4.82 120.51 118.88 1lxn n ALA 2067Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1lxn n ALA 2067Cb 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1lxn n ALA 2067CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lxn n GLY 2068N -0.34 1.21 3.75 0.00 0.00 -0.36 -5.08 105.19 104.37 1lxn n GLY 2068Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1lxn n GLY 2068CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lxn s SER 2069N -1.03 7.41 0.00 1.61 0.15 -0.98 -4.94 113.70 115.91 1lxn s SER 2069Ca 0.00 2.15 0.21 0.00 0.70 0.00 0.00 55.95 59.01 1lxn s SER 2069Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1lxn s SER 2069CO 0.00 -0.04 1.00 0.47 1.20 0.00 0.00 173.24 175.88 1lxn n ASP 2070N 1.34 1.81 -3.35 5.45 10.43 -1.26 -4.52 116.55 126.45 1lxn n ASP 2070Ca -0.01 -1.40 -0.09 0.00 2.57 0.00 0.00 54.79 55.85 1lxn n ASP 2070Cb 0.46 0.54 -0.08 0.00 1.84 0.00 0.00 41.12 43.88 1lxn n ASP 2070CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1lxn s ARG 2071N -2.40 0.35 -0.13 -1.24 3.52 -1.26 -5.07 118.95 112.72 1lxn s ARG 2071Ca 0.16 0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 1lxn s ARG 2071Cb 0.17 -0.46 -0.02 0.00 -1.56 0.00 0.00 34.95 33.07 1lxn s ARG 2071CO 0.56 -0.67 -0.11 0.08 -0.81 0.00 0.00 175.30 174.36 1lxn s VAL 2072N 2.55 3.25 -0.35 7.11 1.01 -1.26 0.31 120.40 133.01 1lxn s VAL 2072Ca 0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1lxn s VAL 2072Cb -0.15 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1lxn s VAL 2072CO -0.17 0.52 0.16 -0.47 0.00 0.00 0.00 175.10 175.14 1lxn s TYR 2073N 0.32 3.23 -0.08 5.22 5.04 0.11 -4.96 117.35 126.23 1lxn s TYR 2073Ca -0.09 -1.05 0.02 0.00 -2.44 0.00 0.00 57.07 53.51 1lxn s TYR 2073Cb -0.15 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 1lxn s TYR 2073CO 0.05 -0.64 -0.14 0.99 -1.34 0.00 0.00 175.55 174.47 1lxn s THR 2074N 1.51 3.04 -0.07 4.34 2.01 -1.26 -0.51 115.64 124.70 1lxn s THR 2074Ca 0.01 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.33 1lxn s THR 2074Cb -0.19 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1lxn s THR 2074CO 0.05 0.57 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.51 1lxn s THR 2075N -0.37 1.32 -0.08 -0.82 2.01 0.38 -5.00 115.64 113.07 1lxn s THR 2075Ca 0.04 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1lxn s THR 2075Cb -0.12 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1lxn s THR 2075CO 0.02 0.39 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.03 1lxn s LEU 2076N 0.58 1.43 -0.16 4.42 2.96 -1.26 -1.35 118.68 125.29 1lxn s LEU 2076Ca -0.15 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1lxn s LEU 2076Cb -0.16 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.77 1lxn s LEU 2076CO 0.05 -0.03 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.36 1lxn s LYS 2077N 1.05 3.22 -0.11 1.98 1.02 -0.53 -4.99 119.74 121.38 1lxn s LYS 2077Ca -0.08 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1lxn s LYS 2077Cb -0.14 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.50 1lxn s LYS 2077CO -0.01 -0.03 -0.23 0.42 -0.92 0.00 0.00 175.35 174.59 1lxn s ILE 2078N 0.93 2.16 -0.35 2.17 1.01 -1.26 -1.25 121.20 124.60 1lxn s ILE 2078Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1lxn s ILE 2078Cb -0.15 -1.84 0.09 0.00 0.01 0.00 0.00 42.46 40.58 1lxn s ILE 2078CO -0.02 0.55 0.08 -0.62 0.00 0.00 0.00 174.94 174.94 1lxn s ASP 2079N 0.41 4.91 -0.67 3.58 2.15 0.41 -5.01 116.67 122.44 1lxn s ASP 2079Ca -0.17 -1.95 -0.08 0.00 0.43 0.00 0.00 52.55 50.78 1lxn s ASP 2079Cb -0.17 -1.70 0.18 0.00 -0.30 0.00 0.00 42.92 40.92 1lxn s ASP 2079CO 0.07 -0.40 0.55 -0.62 -0.17 0.00 0.00 175.17 174.60 1lxn s ASP 2080N 1.26 5.88 -0.39 -0.34 -1.08 -1.26 -2.47 116.67 118.27 1lxn s ASP 2080Ca 0.07 -2.64 -0.15 0.00 -0.52 0.00 0.00 52.55 49.31 1lxn s ASP 2080Cb -0.20 -2.01 0.01 0.00 -1.46 0.00 0.00 42.92 39.25 1lxn s ASP 2080CO -0.06 -0.50 0.35 -0.60 0.52 0.00 0.00 175.17 174.88 1lxn s ARG 2081N 0.26 3.24 0.00 4.34 3.52 -1.26 -4.95 118.95 124.11 1lxn s ARG 2081Ca 0.15 -0.72 0.24 0.00 -0.13 0.00 0.00 55.73 55.28 1lxn s ARG 2081Cb -0.18 -3.90 0.39 0.00 -1.56 0.00 0.00 34.95 29.70 1lxn s ARG 2081CO -0.05 -0.68 1.33 0.54 -0.81 0.00 0.00 175.30 175.63 1lxn n ARG 2082N 5.36 0.42 -0.48 5.12 5.12 -1.26 -4.14 116.66 126.80 1lxn n ARG 2082Ca -0.10 -0.28 0.09 0.00 -1.93 0.00 0.00 57.85 55.63 1lxn n ARG 2082Cb 0.48 -1.49 0.30 0.00 -1.16 0.00 0.00 32.46 30.58 1lxn n ARG 2082CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1lxn n ASP 2083N -1.04 4.20 -3.57 0.55 5.75 -1.26 -4.96 116.55 116.22 1lxn n ASP 2083Ca 0.08 -2.42 -0.09 0.00 -0.01 0.00 0.00 54.79 52.34 1lxn n ASP 2083Cb 0.36 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1lxn n ASP 2083CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lxn s ALA 2084N -1.78 -1.93 -0.43 2.12 0.00 -1.26 -5.13 121.76 113.36 1lxn s ALA 2084Ca 0.44 1.50 -0.09 0.00 0.00 0.00 0.00 51.96 53.81 1lxn s ALA 2084Cb 0.28 -0.51 0.09 0.00 0.00 0.00 0.00 23.12 22.98 1lxn s ALA 2084CO 0.21 -0.39 0.27 0.34 0.00 0.00 0.00 175.76 176.19 1lxn s ASP 2085N -1.42 5.64 -0.10 0.00 2.15 -1.26 -4.80 116.67 116.88 1lxn s ASP 2085Ca 0.01 -1.58 0.00 0.00 0.43 0.00 0.00 52.55 51.41 1lxn s ASP 2085Cb -0.01 -1.99 0.02 0.00 -0.30 0.00 0.00 42.92 40.65 1lxn s ASP 2085CO -0.01 -0.56 -0.08 -0.13 -0.17 0.00 0.00 175.17 174.22 1lxn s ARG 2086N 1.41 1.49 0.37 4.34 1.81 -1.26 -5.06 118.95 122.05 1lxn s ARG 2086Ca 0.04 -0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 53.77 1lxn s ARG 2086Cb -0.23 -1.51 0.08 0.00 -0.45 0.00 0.00 34.95 32.84 1lxn s ARG 2086CO 0.01 -0.21 0.51 0.41 -0.68 0.00 0.00 175.30 175.34 1lxn n GLY 2087N 4.73 0.37 0.22 -3.53 0.00 -1.26 -4.76 105.19 100.97 1lxn n GLY 2087Ca -0.14 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 1lxn n GLY 2087CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lxn h LEU 2088N 0.00 0.60 -0.31 0.99 3.38 -1.97 -2.03 115.31 115.97 1lxn h LEU 2088Ca -0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1lxn h LEU 2088Cb 0.59 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1lxn h LEU 2088CO 0.17 0.43 0.15 0.03 0.09 0.00 0.00 178.44 179.30 1lxn h ARG 2089N 0.72 0.45 -0.47 1.13 3.08 -2.00 -2.14 114.38 115.15 1lxn h ARG 2089Ca 0.21 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1lxn h ARG 2089Cb -0.05 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 1lxn h ARG 2089CO -0.06 0.43 0.20 -0.44 -1.07 0.00 0.00 179.97 179.02 1lxn h ASP 2090N 0.37 0.24 -0.76 7.04 3.32 -1.86 -1.32 116.42 123.44 1lxn h ASP 2090Ca 0.11 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1lxn h ASP 2090Cb 0.13 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1lxn h ASP 2090CO -0.01 0.17 0.39 0.11 -1.72 0.00 0.00 179.24 178.18 1lxn h LYS 2091N 0.39 1.08 -0.17 3.56 1.57 -1.23 -1.08 116.57 120.69 1lxn h LYS 2091Ca 0.22 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1lxn h LYS 2091Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1lxn h LYS 2091CO -0.20 0.83 0.10 0.28 -0.57 0.00 0.00 179.45 179.89 1lxn h VAL 2092N 1.06 1.08 -0.46 0.50 2.07 -0.80 -2.94 116.25 116.77 1lxn h VAL 2092Ca 0.26 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1lxn h VAL 2092Cb 0.08 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1lxn h VAL 2092CO -0.04 0.08 0.05 -0.33 0.02 0.00 0.00 177.57 177.35 1lxn h GLU 2093N 0.20 0.72 -0.09 1.57 4.39 -1.02 -1.23 114.58 119.12 1lxn h GLU 2093Ca 0.06 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.63 1lxn h GLU 2093Cb 0.03 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1lxn h GLU 2093CO -0.01 0.69 0.07 0.77 -1.16 0.00 0.00 179.01 179.38 1lxn h SER 2094N 0.69 0.00 0.00 1.42 0.02 -1.02 -1.18 113.55 113.48 1lxn h SER 2094Ca 0.15 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 1lxn h SER 2094Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1lxn h SER 2094CO 0.01 0.00 -1.11 0.58 -1.14 0.00 0.00 176.83 175.17 1lxn h VAL 2095N 0.00 1.03 -0.76 2.27 2.07 -1.37 -3.35 116.25 116.14 1lxn h VAL 2095Ca 0.04 -2.21 0.12 0.00 0.82 0.00 0.00 66.70 65.48 1lxn h VAL 2095Cb 0.19 2.38 -0.08 0.00 -1.52 0.00 0.00 31.29 32.26 1lxn h VAL 2095CO -0.00 0.36 0.36 0.11 0.02 0.00 0.00 177.57 178.42 1lxn h LYS 2096N -0.98 0.54 0.00 1.57 1.57 -1.00 -1.63 116.57 116.65 1lxn h LYS 2096Ca -0.30 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.40 1lxn h LYS 2096Cb 1.28 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1lxn h LYS 2096CO -0.18 0.36 -0.22 1.05 -0.57 0.00 0.00 179.45 179.89 1lxn h GLU 2097N 0.56 0.00 -0.14 3.15 4.11 -1.42 -2.54 114.58 118.30 1lxn h GLU 2097Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1lxn h GLU 2097Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1lxn h GLU 2097CO -0.34 0.22 0.00 1.63 0.07 0.00 0.00 179.01 180.59 1lxn n LYS 2098N -3.68 1.93 0.00 1.06 5.02 -0.64 -5.12 118.16 116.73 1lxn n LYS 2098Ca -0.01 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1lxn n LYS 2098Cb 0.34 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1lxn n LYS 2098CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39