#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt4 s SER 2003N 0.00 6.04 0.50 0.55 1.04 -1.26 -4.78 113.70 115.79 2bt4 s SER 2003Ca 0.00 -0.05 0.16 0.00 0.48 0.00 0.00 55.95 56.54 2bt4 s SER 2003Cb 0.00 -1.43 1.21 0.00 0.10 0.00 0.00 66.02 65.90 2bt4 s SER 2003CO 0.00 -0.38 2.11 -0.07 0.98 0.00 0.00 173.24 175.87 2bt4 h LEU 2004N 0.88 0.00 -1.04 2.42 4.07 -1.77 -2.06 115.31 117.81 2bt4 h LEU 2004Ca -0.47 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.40 2bt4 h LEU 2004Cb 1.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 2bt4 h LEU 2004CO 0.55 0.05 -0.30 0.00 -1.08 0.00 0.00 178.44 177.66 2bt4 h ALA 2005N 1.95 1.20 0.00 1.53 0.00 -1.92 -3.30 119.26 118.71 2bt4 h ALA 2005Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bt4 h ALA 2005Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bt4 h ALA 2005CO 0.01 0.53 -1.12 0.09 0.00 0.00 0.00 179.25 178.76 2bt4 n ASN 2006N -4.11 0.82 -3.53 0.00 3.02 -0.87 -4.99 115.26 105.60 2bt4 n ASN 2006Ca -0.01 -0.69 -0.16 0.00 -0.03 0.00 0.00 54.58 53.69 2bt4 n ASN 2006Cb 0.41 1.22 -0.06 0.00 -0.61 0.00 0.00 39.78 40.75 2bt4 n ASN 2006CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bt4 s ALA 2007N -2.87 -1.62 0.67 5.41 0.00 -0.83 -4.94 121.76 117.58 2bt4 s ALA 2007Ca 0.03 1.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.89 2bt4 s ALA 2007Cb 0.13 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2bt4 s ALA 2007CO 0.76 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.92 2bt4 s PRO 2008N -1.73 2.81 -0.09 0.00 0.04 -1.26 -4.35 135.00 130.42 2bt4 s PRO 2008Ca -0.09 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 2bt4 s PRO 2008Cb -0.01 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2bt4 s PRO 2008CO 0.05 -1.22 0.83 0.42 0.04 0.00 0.00 177.00 177.11 2bt4 s ILE 2009N -2.53 4.93 -0.10 0.56 1.01 -0.27 -0.83 121.20 123.97 2bt4 s ILE 2009Ca 0.64 1.69 -0.25 0.00 0.00 0.00 0.00 60.65 62.73 2bt4 s ILE 2009Cb -0.18 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 2bt4 s ILE 2009CO 0.44 0.13 0.78 -0.32 0.00 0.00 0.00 174.94 175.98 2bt4 s MET 2010N 1.41 4.40 -0.27 2.79 -2.45 -0.64 -0.43 119.30 124.11 2bt4 s MET 2010Ca 0.42 0.99 -0.01 0.00 -1.25 0.00 0.00 55.69 55.84 2bt4 s MET 2010Cb -0.18 -3.50 0.04 0.00 1.25 0.00 0.00 34.83 32.44 2bt4 s MET 2010CO 0.18 -0.10 -0.05 0.42 1.05 0.00 0.00 175.02 176.52 2bt4 s ILE 2011N 1.35 2.82 -0.10 10.11 -1.09 0.11 -1.17 121.20 133.23 2bt4 s ILE 2011Ca 0.39 -1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 57.57 2bt4 s ILE 2011Cb -0.18 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 2bt4 s ILE 2011CO 0.17 0.06 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.13 2bt4 s LEU 2012N 1.27 3.22 -0.06 2.97 1.43 0.06 -1.19 118.68 126.37 2bt4 s LEU 2012Ca -0.03 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2bt4 s LEU 2012Cb -0.18 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2bt4 s LEU 2012CO -0.03 0.29 -0.18 0.20 0.23 0.00 0.00 176.35 176.86 2bt4 s ASN 2013N -0.39 2.38 0.06 2.29 0.01 -0.55 -0.53 114.94 118.21 2bt4 s ASN 2013Ca 0.06 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 2bt4 s ASN 2013Cb -0.12 -0.87 0.00 0.00 0.41 0.00 0.00 41.25 40.67 2bt4 s ASN 2013CO 0.02 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 2bt4 n GLY 2014N 3.37 0.55 3.76 0.66 0.00 -0.05 -1.59 105.19 111.90 2bt4 n GLY 2014Ca -0.19 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 2bt4 n GLY 2014CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bt4 s PRO 2015N 1.00 3.63 0.00 1.61 0.04 -1.07 -3.24 135.00 136.96 2bt4 s PRO 2015Ca 0.00 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2bt4 s PRO 2015Cb 0.00 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2bt4 s PRO 2015CO 0.00 -0.83 0.00 0.09 0.04 0.00 0.00 177.00 176.30 2bt4 n ASN 2016N -0.31 0.00 0.14 6.66 3.02 -1.26 -4.56 115.26 118.95 2bt4 n ASN 2016Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.72 2bt4 n ASN 2016Cb 0.43 -0.11 0.52 0.00 -0.61 0.00 0.00 39.78 40.01 2bt4 n ASN 2016CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2bt4 n LEU 2017N 0.00 0.61 -0.03 3.41 4.77 -1.20 -1.79 117.00 122.77 2bt4 n LEU 2017Ca 0.00 0.70 0.23 0.00 -0.03 0.00 0.00 56.01 56.91 2bt4 n LEU 2017Cb 0.00 -0.68 0.72 0.00 -2.33 0.00 0.00 43.42 41.13 2bt4 n LEU 2017CO 0.00 -0.72 1.21 -0.55 -1.33 0.00 0.00 177.39 176.00 2bt4 h ASN 2018N 0.00 0.00 -0.36 -1.43 -1.07 -1.88 -1.95 115.58 108.89 2bt4 h ASN 2018Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bt4 h ASN 2018Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 2bt4 h ASN 2018CO 0.00 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.68 2bt4 n LEU 2019N -4.12 2.89 -4.61 6.14 4.77 -0.74 -4.69 117.00 116.65 2bt4 n LEU 2019Ca 0.12 -1.27 -0.46 0.00 -0.03 0.00 0.00 56.01 54.37 2bt4 n LEU 2019Cb 0.74 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2bt4 n LEU 2019CO 0.34 0.64 0.73 -0.11 -1.33 0.00 0.00 177.39 177.65 2bt4 n LEU 2020N 1.12 2.03 0.00 2.23 7.94 -0.73 -1.89 117.00 127.69 2bt4 n LEU 2020Ca 0.18 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 2bt4 n LEU 2020Cb 0.51 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2bt4 n LEU 2020CO 0.15 -1.14 0.00 0.61 -1.11 0.00 0.00 177.39 175.89 2bt4 n GLY 2021N 1.67 2.43 0.13 -3.96 0.00 -1.16 -3.88 105.19 100.42 2bt4 n GLY 2021Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2bt4 n GLY 2021CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bt4 n GLN 2022N -2.00 0.44 -3.65 1.61 6.02 -0.79 -4.78 117.38 114.23 2bt4 n GLN 2022Ca 0.00 -0.26 -0.06 0.00 -0.01 0.00 0.00 57.00 56.67 2bt4 n GLN 2022Cb 0.00 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 2bt4 n GLN 2022CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2bt4 s ARG 2023N -2.74 1.09 -1.36 -1.09 1.70 -1.26 -5.01 118.95 110.28 2bt4 s ARG 2023Ca 0.18 -0.53 -0.00 0.00 -0.47 0.00 0.00 55.73 54.90 2bt4 s ARG 2023Cb 0.18 0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 34.98 2bt4 s ARG 2023CO 0.61 -0.49 0.52 1.04 -1.08 0.00 0.00 175.30 175.90 2bt4 n GLN 2024N -0.38 -3.80 0.27 3.89 6.02 -1.26 -4.80 117.38 117.30 2bt4 n GLN 2024Ca -0.08 0.48 0.14 0.00 -0.01 0.00 0.00 57.00 57.54 2bt4 n GLN 2024Cb 0.61 -4.74 0.72 0.00 1.02 0.00 0.00 30.24 27.85 2bt4 n GLN 2024CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2bt4 h PRO 2025N -1.85 0.00 0.00 -1.09 0.13 -1.92 -0.66 132.00 126.61 2bt4 h PRO 2025Ca -0.62 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.47 2bt4 h PRO 2025Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 2bt4 h PRO 2025CO 0.60 0.11 -0.15 0.93 -0.23 0.00 0.00 178.00 179.25 2bt4 h GLU 2026N 0.00 0.00 0.00 0.86 3.07 -1.89 0.35 114.58 116.97 2bt4 h GLU 2026Ca -0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.44 2bt4 h GLU 2026Cb 0.42 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.26 2bt4 h GLU 2026CO 0.01 0.15 -2.48 -0.89 -1.40 0.00 0.00 179.01 174.41 2bt4 n ILE 2027N -3.73 1.51 0.34 3.13 5.41 -0.66 -4.76 119.36 120.61 2bt4 n ILE 2027Ca -0.02 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.27 2bt4 n ILE 2027Cb 0.27 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 2bt4 n ILE 2027CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2bt4 n TYR 2028N -3.65 0.00 0.00 1.39 4.02 -0.35 -4.55 117.16 114.02 2bt4 n TYR 2028Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.40 2bt4 n TYR 2028Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.27 2bt4 n TYR 2028CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bt4 n GLY 2029N 0.77 -0.60 0.65 2.72 0.00 0.11 -4.73 105.19 104.11 2bt4 n GLY 2029Ca 0.03 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.39 2bt4 n GLY 2029CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bt4 n SER 2030N -1.15 2.49 -4.77 1.61 7.64 -1.26 -4.27 113.62 113.91 2bt4 n SER 2030Ca 0.00 -1.72 -0.38 0.00 1.01 0.00 0.00 58.87 57.78 2bt4 n SER 2030Cb 0.00 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 2bt4 n SER 2030CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2bt4 s ASP 2031N -1.13 6.52 0.65 6.43 1.01 -1.26 -4.71 116.67 124.18 2bt4 s ASP 2031Ca 0.21 2.33 -0.02 0.00 0.71 0.00 0.00 52.55 55.78 2bt4 s ASP 2031Cb 0.13 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.52 2bt4 s ASP 2031CO 0.19 -0.68 0.91 0.42 0.21 0.00 0.00 175.17 176.22 2bt4 s THR 2032N -1.43 2.39 0.43 -1.27 -4.23 -1.26 -2.96 115.64 107.30 2bt4 s THR 2032Ca 0.57 -0.54 0.13 0.00 -1.18 0.00 0.00 61.69 60.67 2bt4 s THR 2032Cb -0.30 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 70.87 2bt4 s THR 2032CO 0.38 0.00 1.98 0.25 -0.54 0.00 0.00 174.62 176.68 2bt4 h LEU 2033N -0.32 0.07 -0.77 4.79 5.85 -1.79 -1.35 115.31 121.80 2bt4 h LEU 2033Ca -0.41 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 2bt4 h LEU 2033Cb 1.29 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2bt4 h LEU 2033CO 0.49 0.24 -0.04 0.00 -0.34 0.00 0.00 178.44 178.79 2bt4 h ALA 2034N 1.77 0.96 -0.73 1.25 0.00 -1.94 -0.03 119.26 120.55 2bt4 h ALA 2034Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2bt4 h ALA 2034Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2bt4 h ALA 2034CO 0.02 0.62 0.25 -0.44 0.00 0.00 0.00 179.25 179.71 2bt4 h ASP 2035N 0.82 1.03 -0.18 0.00 3.32 -1.71 -1.00 116.42 118.71 2bt4 h ASP 2035Ca 0.15 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2bt4 h ASP 2035Cb 0.54 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2bt4 h ASP 2035CO 0.03 0.94 0.08 0.58 -1.72 0.00 0.00 179.24 179.16 2bt4 h VAL 2036N 1.07 1.14 -0.71 -1.35 2.07 -0.72 -1.47 116.25 116.28 2bt4 h VAL 2036Ca 0.24 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.49 2bt4 h VAL 2036Cb 0.26 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 2bt4 h VAL 2036CO -0.01 0.13 0.28 -0.08 0.02 0.00 0.00 177.57 177.90 2bt4 h GLU 2037N 0.15 0.42 -0.76 1.57 4.81 -0.48 -0.85 114.58 119.45 2bt4 h GLU 2037Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2bt4 h GLU 2037Cb 0.13 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 2bt4 h GLU 2037CO -0.01 0.28 0.39 0.00 -0.73 0.00 0.00 179.01 178.95 2bt4 h ALA 2038N 1.50 0.98 -0.76 2.92 0.00 -0.81 -0.21 119.26 122.88 2bt4 h ALA 2038Ca 0.38 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2bt4 h ALA 2038Cb 0.54 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2bt4 h ALA 2038CO -0.37 0.51 0.49 -0.07 0.00 0.00 0.00 179.25 179.81 2bt4 h LEU 2039N 1.06 0.82 -0.53 0.00 3.38 -0.52 -2.11 115.31 117.41 2bt4 h LEU 2039Ca 0.26 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2bt4 h LEU 2039Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2bt4 h LEU 2039CO -0.04 0.57 -0.13 0.00 0.09 0.00 0.00 178.44 178.93 2bt4 h VAL 2041N 0.90 0.97 -0.23 0.00 2.07 -0.85 -0.73 116.25 118.39 2bt4 h VAL 2041Ca 0.13 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2bt4 h VAL 2041Cb 0.71 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2bt4 h VAL 2041CO 0.05 0.09 0.10 0.50 0.02 0.00 0.00 177.57 178.33 2bt4 h LYS 2042N 0.47 0.34 -0.69 1.57 3.64 -1.25 -1.51 116.57 119.15 2bt4 h LYS 2042Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2bt4 h LYS 2042Cb 0.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2bt4 h LYS 2042CO -0.14 0.39 0.44 0.00 -2.27 0.00 0.00 179.45 177.86 2bt4 h ALA 2043N 0.94 0.88 -0.45 5.00 0.00 -1.14 -0.85 119.26 123.65 2bt4 h ALA 2043Ca 0.08 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2bt4 h ALA 2043Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2bt4 h ALA 2043CO -0.01 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 179.40 2bt4 h ALA 2044N 1.23 0.63 -0.90 0.00 0.00 -1.02 -2.88 119.26 116.32 2bt4 h ALA 2044Ca 0.25 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2bt4 h ALA 2044Cb -0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2bt4 h ALA 2044CO -0.05 0.58 0.59 0.00 0.00 0.00 0.00 179.25 180.37 2bt4 h ALA 2045N 0.85 1.38 -0.06 0.00 0.00 -0.83 0.18 119.26 120.78 2bt4 h ALA 2045Ca 0.10 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2bt4 h ALA 2045Cb 0.74 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2bt4 h ALA 2045CO 0.06 0.56 0.06 0.00 0.00 0.00 0.00 179.25 179.93 2bt4 h ALA 2046N 1.45 1.73 -0.42 0.00 0.00 -0.95 0.18 119.26 121.26 2bt4 h ALA 2046Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2bt4 h ALA 2046Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bt4 h ALA 2046CO -0.08 -0.09 0.00 0.72 0.00 0.00 0.00 179.25 179.80 2bt4 n HIS 2047N -4.02 0.58 -1.16 0.00 8.25 -0.23 -4.97 115.22 113.67 2bt4 n HIS 2047Ca -0.02 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 2bt4 n HIS 2047Cb 0.16 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2bt4 n HIS 2047CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bt4 n GLY 2048N 0.72 0.45 2.07 -1.41 0.00 0.65 -4.94 105.19 102.72 2bt4 n GLY 2048Ca 0.14 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 2bt4 n GLY 2048CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bt4 n GLY 2049N -2.41 3.78 3.16 -0.02 0.00 0.45 -4.23 105.19 105.92 2bt4 n GLY 2049Ca 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 2bt4 n GLY 2049CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bt4 s THR 2050N -2.15 0.25 0.19 2.61 -4.23 -1.26 -2.99 115.64 108.05 2bt4 s THR 2050Ca 0.03 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.70 2bt4 s THR 2050Cb 0.00 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 2bt4 s THR 2050CO 0.02 -0.53 -0.15 0.68 -0.54 0.00 0.00 174.62 174.10 2bt4 s VAL 2051N -3.94 1.72 -0.31 2.29 -7.23 -1.26 -1.11 120.40 110.55 2bt4 s VAL 2051Ca 0.22 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2bt4 s VAL 2051Cb 0.07 -1.96 0.10 0.00 0.56 0.00 0.00 36.38 35.15 2bt4 s VAL 2051CO 0.01 -0.53 0.09 -0.62 -0.31 0.00 0.00 175.10 173.73 2bt4 s ASP 2052N -3.12 4.17 -0.22 4.85 -1.08 0.43 -4.85 116.67 116.86 2bt4 s ASP 2052Ca 0.20 -1.73 -0.08 0.00 -0.52 0.00 0.00 52.55 50.41 2bt4 s ASP 2052Cb -0.02 -1.03 -0.04 0.00 -1.46 0.00 0.00 42.92 40.37 2bt4 s ASP 2052CO 0.06 -0.41 0.10 0.12 0.52 0.00 0.00 175.17 175.56 2bt4 s PHE 2053N 1.47 3.22 0.03 -5.34 5.36 -1.26 -0.71 117.98 120.75 2bt4 s PHE 2053Ca 0.10 -0.00 -0.01 0.00 -0.96 0.00 0.00 56.93 56.05 2bt4 s PHE 2053Cb -0.18 -2.18 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 2bt4 s PHE 2053CO -0.21 -0.01 -0.01 1.03 -1.46 0.00 0.00 175.22 174.55 2bt4 s ARG 2054N 0.92 0.44 0.01 10.12 0.52 -0.34 -4.98 118.95 125.65 2bt4 s ARG 2054Ca 0.05 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2bt4 s ARG 2054Cb -0.14 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.48 2bt4 s ARG 2054CO 0.03 -0.08 -0.03 -1.14 0.02 0.00 0.00 175.30 174.10 2bt4 s GLN 2055N -2.38 0.22 -0.10 3.54 -0.44 -1.26 -1.48 119.66 117.76 2bt4 s GLN 2055Ca -0.07 -0.32 -0.18 0.00 -2.50 0.00 0.00 55.36 52.29 2bt4 s GLN 2055Cb -0.03 -0.05 0.04 0.00 -1.64 0.00 0.00 33.01 31.33 2bt4 s GLN 2055CO -0.04 0.00 0.44 0.45 0.50 0.00 0.00 175.29 176.64 2bt4 s SER 2056N -0.71 -0.41 0.00 6.67 0.15 -0.62 -4.97 113.70 113.81 2bt4 s SER 2056Ca -0.07 0.63 0.28 0.00 0.70 0.00 0.00 55.95 57.49 2bt4 s SER 2056Cb -0.05 0.68 1.06 0.00 -1.71 0.00 0.00 66.02 66.00 2bt4 s SER 2056CO -0.00 -0.32 1.75 0.59 1.20 0.00 0.00 173.24 176.46 2bt4 n ASN 2057N 2.06 1.34 -4.48 5.45 3.02 -1.26 -2.61 115.26 118.78 2bt4 n ASN 2057Ca -0.17 -1.38 -0.37 0.00 -0.03 0.00 0.00 54.58 52.64 2bt4 n ASN 2057Cb 0.57 0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.63 2bt4 n ASN 2057CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 2058N -2.07 3.12 0.16 3.10 3.76 -1.26 -4.70 115.29 117.39 2bt4 s HIS 2058Ca 0.37 -0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 2bt4 s HIS 2058Cb 0.21 -2.28 0.07 0.00 1.11 0.00 0.00 32.58 31.69 2bt4 s HIS 2058CO 0.36 -0.31 1.77 1.49 -0.85 0.00 0.00 174.74 177.20 2bt4 h GLU 2059N 8.27 0.34 0.00 1.40 4.81 -2.00 -1.58 114.58 125.83 2bt4 h GLU 2059Ca -0.37 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2bt4 h GLU 2059Cb 1.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2bt4 h GLU 2059CO 0.57 0.23 -0.22 0.78 -0.73 0.00 0.00 179.01 179.64 2bt4 h GLY 2060N 0.36 0.00 1.14 1.92 0.00 -1.99 -1.43 103.07 103.06 2bt4 h GLY 2060Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 2bt4 h GLY 2060CO -0.14 0.00 -0.79 -2.09 0.00 0.00 0.00 176.54 173.51 2bt4 h GLU 2061N 0.00 0.74 -0.78 4.80 4.81 -1.74 -1.53 114.58 120.89 2bt4 h GLU 2061Ca -0.00 -0.64 -0.00 0.00 -0.13 0.00 0.00 59.36 58.58 2bt4 h GLU 2061Cb 0.43 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2bt4 h GLU 2061CO 0.03 1.25 0.48 -0.07 -0.73 0.00 0.00 179.01 179.96 2bt4 h LEU 2062N 0.45 0.93 -0.39 1.64 3.38 -0.97 0.31 115.31 120.66 2bt4 h LEU 2062Ca -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2bt4 h LEU 2062Cb 1.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2bt4 h LEU 2062CO 0.16 0.70 0.19 0.58 0.09 0.00 0.00 178.44 180.16 2bt4 h VAL 2063N 1.07 1.17 -0.54 1.22 2.07 -1.04 -1.00 116.25 119.20 2bt4 h VAL 2063Ca 0.28 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2bt4 h VAL 2063Cb -0.06 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2bt4 h VAL 2063CO -0.05 0.18 0.30 0.44 0.02 0.00 0.00 177.57 178.45 2bt4 h ASP 2064N 0.49 0.44 -0.32 0.57 3.32 -0.45 -1.48 116.42 119.00 2bt4 h ASP 2064Ca 0.13 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2bt4 h ASP 2064Cb 0.12 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2bt4 h ASP 2064CO -0.02 0.31 -0.03 -0.50 -1.72 0.00 0.00 179.24 177.27 2bt4 h TRP 2065N 0.57 0.74 -0.58 4.55 6.55 -0.69 -1.37 115.95 125.71 2bt4 h TRP 2065Ca 0.23 -0.10 -0.08 0.00 0.95 0.00 0.00 58.89 59.89 2bt4 h TRP 2065Cb 0.11 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.18 2bt4 h TRP 2065CO -0.09 0.72 0.05 0.82 -1.05 0.00 0.00 178.44 178.89 2bt4 h ILE 2066N 0.65 1.25 -0.39 1.49 2.04 -0.21 -1.70 117.51 120.64 2bt4 h ILE 2066Ca 0.13 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 2bt4 h ILE 2066Cb 0.46 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2bt4 h ILE 2066CO 0.02 0.38 0.09 0.45 0.00 0.00 0.00 178.15 179.09 2bt4 h HIS 2067N 0.91 0.58 -0.42 1.37 3.86 -0.75 -1.35 115.15 119.35 2bt4 h HIS 2067Ca 0.18 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 2bt4 h HIS 2067Cb 0.46 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2bt4 h HIS 2067CO 0.03 0.51 0.02 1.49 0.86 0.00 0.00 177.93 180.84 2bt4 h GLU 2068N 0.56 0.72 -0.47 2.45 4.81 -0.98 -3.09 114.58 118.59 2bt4 h GLU 2068Ca 0.13 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 2bt4 h GLU 2068Cb 0.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2bt4 h GLU 2068CO -0.00 0.79 0.06 0.00 -0.73 0.00 0.00 179.01 179.12 2bt4 h ALA 2069N 0.91 1.22 -0.57 2.92 0.00 -1.10 -1.63 119.26 121.01 2bt4 h ALA 2069Ca 0.12 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2bt4 h ALA 2069Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2bt4 h ALA 2069CO 0.02 0.52 0.39 -0.09 0.00 0.00 0.00 179.25 180.09 2bt4 h ARG 2070N 0.70 0.36 0.00 0.00 2.43 -1.16 -1.61 114.38 115.10 2bt4 h ARG 2070Ca 0.15 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 59.06 2bt4 h ARG 2070Cb 0.35 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2bt4 h ARG 2070CO 0.01 0.24 -1.89 1.28 -1.51 0.00 0.00 179.97 178.10 2bt4 n LEU 2071N -4.47 0.44 0.00 3.80 4.77 -0.93 -4.76 117.00 115.86 2bt4 n LEU 2071Ca 0.09 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2bt4 n LEU 2071Cb 0.37 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2bt4 n LEU 2071CO 0.34 0.30 0.04 0.59 -1.33 0.00 0.00 177.39 177.33 2bt4 n ASN 2072N -2.79 0.18 -4.36 -1.43 3.02 -0.66 -5.09 115.26 104.14 2bt4 n ASN 2072Ca -0.19 -0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 53.66 2bt4 n ASN 2072Cb 0.96 0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 40.56 2bt4 n ASN 2072CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2bt4 s HIS 2073N -0.53 1.77 -1.32 3.10 3.76 -0.66 -4.49 115.29 116.92 2bt4 s HIS 2073Ca 0.00 -0.54 0.26 0.00 -0.15 0.00 0.00 55.06 54.63 2bt4 s HIS 2073Cb 0.00 -0.82 0.74 0.00 1.11 0.00 0.00 32.58 33.61 2bt4 s HIS 2073CO 0.00 0.39 1.56 0.00 -0.85 0.00 0.00 174.74 175.84 2bt4 n GLY 2075N 1.42 -0.09 2.92 0.00 0.00 -1.26 -4.37 105.19 103.81 2bt4 n GLY 2075Ca 0.09 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 2bt4 n GLY 2075CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bt4 s ILE 2076N -2.00 0.62 -0.18 -0.61 1.01 -0.66 -1.62 121.20 117.75 2bt4 s ILE 2076Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 2bt4 s ILE 2076Cb 0.00 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2bt4 s ILE 2076CO 0.00 0.24 -0.05 -0.69 0.00 0.00 0.00 174.94 174.43 2bt4 s VAL 2077N 0.76 3.52 -0.07 2.92 1.01 -0.32 -1.05 120.40 127.18 2bt4 s VAL 2077Ca -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2bt4 s VAL 2077Cb -0.14 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2bt4 s VAL 2077CO 0.01 0.46 -0.06 -0.51 0.00 0.00 0.00 175.10 175.00 2bt4 s ILE 2078N 0.88 0.76 -0.54 2.22 2.07 -0.58 -0.76 121.20 125.25 2bt4 s ILE 2078Ca -0.01 -0.21 -0.10 0.00 -1.41 0.00 0.00 60.65 58.92 2bt4 s ILE 2078Cb -0.15 -0.77 0.14 0.00 0.13 0.00 0.00 42.46 41.82 2bt4 s ILE 2078CO 0.01 0.29 0.43 0.21 -1.91 0.00 0.00 174.94 173.97 2bt4 s ASN 2079N 1.14 5.85 0.00 4.50 3.84 0.31 -1.52 114.94 129.06 2bt4 s ASN 2079Ca -0.07 -2.11 0.22 0.00 0.21 0.00 0.00 52.86 51.11 2bt4 s ASN 2079Cb -0.14 -2.04 1.07 0.00 -0.55 0.00 0.00 41.25 39.58 2bt4 s ASN 2079CO -0.01 -0.66 1.70 -2.65 -2.79 0.00 0.00 177.10 172.69 2bt4 n PRO 2080N 4.66 0.26 0.00 0.43 -0.02 -1.26 -0.87 135.00 138.20 2bt4 n PRO 2080Ca -0.04 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2bt4 n PRO 2080Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2bt4 n PRO 2080CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bt4 n ALA 2081N -1.32 0.00 -0.19 3.55 0.00 -1.26 -2.07 120.51 119.22 2bt4 n ALA 2081Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.72 2bt4 n ALA 2081Cb 0.19 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.17 2bt4 n ALA 2081CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bt4 h ALA 2082N -0.70 2.24 0.00 0.00 0.00 -1.94 -0.14 119.26 118.72 2bt4 h ALA 2082Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bt4 h ALA 2082Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bt4 h ALA 2082CO 0.00 -0.48 0.00 1.88 0.00 0.00 0.00 179.25 180.65 2bt4 h TYR 2083N 0.35 0.00 -0.94 0.00 0.99 -1.81 -1.59 116.97 113.97 2bt4 h TYR 2083Ca 0.41 0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.28 2bt4 h TYR 2083Cb 1.07 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 38.70 2bt4 h TYR 2083CO -0.00 0.00 0.56 0.77 -0.00 0.00 0.00 178.16 179.48 2bt4 h SER 2084N 0.00 0.75 1.34 3.88 0.02 -1.07 0.79 113.55 119.27 2bt4 h SER 2084Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2bt4 h SER 2084Cb 0.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2bt4 h SER 2084CO 0.00 0.35 -0.62 0.45 -1.14 0.00 0.00 176.83 175.86 2bt4 h HIS 2085N 0.81 0.00 0.00 3.45 3.86 -1.45 -0.15 115.15 121.66 2bt4 h HIS 2085Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 2bt4 h HIS 2085Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2bt4 h HIS 2085CO -0.03 0.00 -0.91 0.25 0.86 0.00 0.00 177.93 178.09 2bt4 n THR 2086N -2.78 0.00 -3.16 2.45 -2.24 -1.01 -4.78 114.28 102.74 2bt4 n THR 2086Ca 0.02 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.34 2bt4 n THR 2086Cb 0.54 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.57 2bt4 n THR 2086CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2bt4 s SER 2087N -2.28 6.40 0.34 3.42 0.15 0.24 -4.82 113.70 117.15 2bt4 s SER 2087Ca 0.00 -1.89 0.13 0.00 0.70 0.00 0.00 55.95 54.89 2bt4 s SER 2087Cb 0.00 -2.28 0.61 0.00 -1.71 0.00 0.00 66.02 62.64 2bt4 s SER 2087CO 0.00 -0.94 1.75 0.58 1.20 0.00 0.00 173.24 175.83 2bt4 h VAL 2088N 5.62 1.28 -0.81 4.45 2.07 -1.94 -2.96 116.25 123.96 2bt4 h VAL 2088Ca -0.12 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.84 2bt4 h VAL 2088Cb 1.07 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.65 2bt4 h VAL 2088CO 1.01 0.44 0.53 0.00 0.02 0.00 0.00 177.57 179.57 2bt4 h ALA 2089N 1.55 1.40 -0.16 1.67 0.00 -1.97 0.31 119.26 122.06 2bt4 h ALA 2089Ca -0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 2bt4 h ALA 2089Cb 0.82 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2bt4 h ALA 2089CO 0.06 0.55 -0.78 0.82 0.00 0.00 0.00 179.25 179.90 2bt4 h ILE 2090N 1.11 1.28 -0.34 0.00 2.04 -1.91 -1.73 117.51 117.96 2bt4 h ILE 2090Ca 0.30 -1.97 0.07 0.00 1.00 0.00 0.00 64.86 64.26 2bt4 h ILE 2090Cb -0.11 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 2bt4 h ILE 2090CO -0.06 0.63 -0.09 0.25 0.00 0.00 0.00 178.15 178.88 2bt4 h LEU 2091N 0.55 -0.32 -1.24 1.44 5.85 -1.30 -0.84 115.31 119.45 2bt4 h LEU 2091Ca -0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2bt4 h LEU 2091Cb 1.41 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.62 2bt4 h LEU 2091CO 0.16 -0.11 0.34 0.44 -0.34 0.00 0.00 178.44 178.93 2bt4 h ASP 2092N -0.00 0.77 -0.38 1.25 3.32 -0.85 0.17 116.42 120.69 2bt4 h ASP 2092Ca 0.16 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2bt4 h ASP 2092Cb 0.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2bt4 h ASP 2092CO -0.35 0.62 0.17 0.00 -1.72 0.00 0.00 179.24 177.96 2bt4 h ALA 2093N 1.50 0.50 -0.25 3.45 0.00 -0.77 -2.56 119.26 121.14 2bt4 h ALA 2093Ca 0.22 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2bt4 h ALA 2093Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2bt4 h ALA 2093CO -0.04 0.08 -0.22 -0.07 0.00 0.00 0.00 179.25 179.01 2bt4 h LEU 2094N 0.48 0.45 -2.31 0.00 3.38 -0.62 -2.15 115.31 114.54 2bt4 h LEU 2094Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2bt4 h LEU 2094Cb 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bt4 h LEU 2094CO -0.01 0.68 -0.05 0.78 0.09 0.00 0.00 178.44 179.93 2bt4 h ASN 2095N 0.41 0.00 0.80 -0.43 2.35 -0.29 -0.46 115.58 117.96 2bt4 h ASN 2095Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2bt4 h ASN 2095Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2bt4 h ASN 2095CO 0.04 0.05 0.00 0.35 -1.65 0.00 0.00 177.43 176.22 2bt4 n THR 2096N -3.56 0.17 -1.92 2.81 -2.24 -0.81 -4.31 114.28 104.43 2bt4 n THR 2096Ca -0.02 0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 2bt4 n THR 2096Cb 0.15 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2bt4 n THR 2096CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bt4 n ASP 2098N 3.50 3.96 0.00 0.00 8.00 -1.26 -1.93 116.55 128.82 2bt4 n ASP 2098Ca 0.57 1.07 0.00 0.00 0.71 0.00 0.00 54.79 57.14 2bt4 n ASP 2098Cb 0.30 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 39.83 2bt4 n ASP 2098CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt4 n GLY 2099N 3.85 1.30 3.75 0.44 0.00 -1.26 -5.00 105.19 108.27 2bt4 n GLY 2099Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2bt4 n GLY 2099CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bt4 s LEU 2100N 0.00 4.35 0.25 0.99 2.96 -0.81 -5.03 118.68 121.39 2bt4 s LEU 2100Ca 0.00 0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 2bt4 s LEU 2100Cb 0.00 -2.77 -0.09 0.00 0.50 0.00 0.00 46.19 43.83 2bt4 s LEU 2100CO 0.00 0.07 1.28 -2.84 -1.32 0.00 0.00 176.35 173.55 2bt4 s PRO 2101N 0.13 4.41 -0.04 0.98 0.02 -1.26 -4.95 135.00 134.30 2bt4 s PRO 2101Ca 0.28 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.39 2bt4 s PRO 2101Cb -0.16 -3.15 0.02 0.00 0.02 0.00 0.00 34.50 31.22 2bt4 s PRO 2101CO 0.13 -0.18 -0.05 0.08 -0.33 0.00 0.00 177.00 176.66 2bt4 s VAL 2102N -0.43 0.55 -0.05 3.83 1.01 -1.26 -1.66 120.40 122.39 2bt4 s VAL 2102Ca 0.53 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2bt4 s VAL 2102Cb -0.37 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2bt4 s VAL 2102CO 0.43 0.22 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 2bt4 s VAL 2103N 0.73 1.23 -0.11 2.92 1.01 -0.22 -0.77 120.40 125.19 2bt4 s VAL 2103Ca -0.10 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2bt4 s VAL 2103Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2bt4 s VAL 2103CO 0.00 0.37 0.19 -0.70 0.00 0.00 0.00 175.10 174.96 2bt4 s GLU 2104N 0.31 3.65 -0.04 2.72 2.12 -0.17 -1.53 118.70 125.75 2bt4 s GLU 2104Ca -0.08 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.23 2bt4 s GLU 2104Cb -0.13 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.04 2bt4 s GLU 2104CO 0.03 0.68 -0.09 0.08 -0.54 0.00 0.00 175.26 175.42 2bt4 s VAL 2105N -0.81 0.83 -0.07 3.70 1.01 -0.57 -0.42 120.40 124.07 2bt4 s VAL 2105Ca 0.16 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2bt4 s VAL 2105Cb -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2bt4 s VAL 2105CO 0.05 0.27 -0.18 -1.00 0.00 0.00 0.00 175.10 174.25 2bt4 s HIS 2106N 0.51 1.89 0.07 5.22 3.76 -0.06 -4.13 115.29 122.54 2bt4 s HIS 2106Ca -0.09 -0.66 -0.20 0.00 -0.15 0.00 0.00 55.06 53.96 2bt4 s HIS 2106Cb -0.12 -1.29 -0.11 0.00 1.11 0.00 0.00 32.58 32.16 2bt4 s HIS 2106CO 0.01 -0.27 1.48 0.82 -0.85 0.00 0.00 174.74 175.93 2bt4 h ILE 2107N 5.58 1.27 -4.02 0.60 2.04 -1.86 -2.21 117.51 118.91 2bt4 h ILE 2107Ca -0.29 -0.94 -0.49 0.00 1.00 0.00 0.00 64.86 64.15 2bt4 h ILE 2107Cb 1.19 1.51 0.02 0.00 -0.74 0.00 0.00 36.82 38.81 2bt4 h ILE 2107CO 0.47 0.28 0.28 -0.94 0.00 0.00 0.00 178.15 178.25 2bt4 s SER 2108N -5.89 6.50 -0.76 1.72 1.04 -1.26 -1.76 113.70 113.28 2bt4 s SER 2108Ca -0.14 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.41 2bt4 s SER 2108Cb 0.06 -2.43 0.06 0.00 0.10 0.00 0.00 66.02 63.82 2bt4 s SER 2108CO 0.73 -0.58 1.17 0.21 0.98 0.00 0.00 173.24 175.76 2bt4 s ASN 2109N -3.36 6.25 0.61 7.02 3.84 -1.26 -2.15 114.94 125.90 2bt4 s ASN 2109Ca 0.55 -0.94 0.33 0.00 0.21 0.00 0.00 52.86 53.01 2bt4 s ASN 2109Cb -0.10 -2.49 1.94 0.00 -0.55 0.00 0.00 41.25 40.04 2bt4 s ASN 2109CO 0.36 -1.57 2.25 0.16 -2.79 0.00 0.00 177.10 175.51 2bt4 h ILE 2110N 6.09 0.39 0.00 -5.21 3.07 -1.92 -0.13 117.51 119.80 2bt4 h ILE 2110Ca -0.18 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.23 2bt4 h ILE 2110Cb 1.05 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2bt4 h ILE 2110CO 1.25 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.76 2bt4 n HIS 2111N -3.64 0.00 0.39 0.16 8.25 -1.26 -2.34 115.22 116.77 2bt4 n HIS 2111Ca -0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.54 2bt4 n HIS 2111Cb 0.12 -0.49 0.17 0.00 1.12 0.00 0.00 29.99 30.92 2bt4 n HIS 2111CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2bt4 n GLN 2112N -1.49 2.27 -0.99 -0.41 6.02 -0.06 -4.99 117.38 117.73 2bt4 n GLN 2112Ca 0.04 -2.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 2bt4 n GLN 2112Cb 0.20 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2bt4 n GLN 2112CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bt4 n ARG 2113N 1.29 1.74 -1.63 -1.09 1.74 -0.99 -5.06 116.66 112.66 2bt4 n ARG 2113Ca 0.16 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 2bt4 n ARG 2113Cb 0.55 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.01 2bt4 n ARG 2113CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2bt4 n GLU 2114N -0.55 1.44 -0.19 5.56 4.71 -1.26 -4.86 120.64 125.49 2bt4 n GLU 2114Ca 0.00 0.52 0.18 0.00 -0.01 0.00 0.00 57.16 57.85 2bt4 n GLU 2114Cb 0.00 -2.13 0.54 0.00 -1.01 0.00 0.00 31.44 28.84 2bt4 n GLU 2114CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 2bt4 h PRO 2115N 1.58 0.34 0.00 3.49 0.11 -1.97 0.59 132.00 136.14 2bt4 h PRO 2115Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bt4 h PRO 2115Cb 1.33 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2bt4 h PRO 2115CO 0.57 0.23 0.00 0.27 -0.21 0.00 0.00 178.00 178.86 2bt4 h PHE 2116N 0.35 0.00 -0.00 0.65 -5.15 -1.97 -2.31 116.94 108.51 2bt4 h PHE 2116Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 2bt4 h PHE 2116Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.25 2bt4 h PHE 2116CO -0.00 0.00 -0.23 0.54 -2.00 0.00 0.00 178.31 176.62 2bt4 n ARG 2117N -2.91 0.60 0.20 6.09 1.74 0.20 -4.06 116.66 118.53 2bt4 n ARG 2117Ca 0.00 -0.29 0.06 0.00 -0.77 0.00 0.00 57.85 56.84 2bt4 n ARG 2117Cb 0.23 -1.49 0.40 0.00 -1.02 0.00 0.00 32.46 30.58 2bt4 n ARG 2117CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bt4 h HIS 2118N 0.72 0.00 -3.14 -1.55 3.86 -1.46 -3.44 115.15 110.14 2bt4 h HIS 2118Ca 0.00 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.53 2bt4 h HIS 2118Cb 0.45 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.80 2bt4 h HIS 2118CO 0.00 0.34 -0.58 -1.01 0.86 0.00 0.00 177.93 177.54 2bt4 s HIS 2119N -3.85 3.27 -0.05 2.45 3.76 -1.26 -4.84 115.29 114.77 2bt4 s HIS 2119Ca -0.01 0.27 0.01 0.00 -0.15 0.00 0.00 55.06 55.18 2bt4 s HIS 2119Cb 0.12 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 32.02 2bt4 s HIS 2119CO 0.68 0.54 -0.04 0.45 -0.85 0.00 0.00 174.74 175.52 2bt4 s SER 2120N -1.01 1.16 0.30 1.40 0.15 -1.26 -4.19 113.70 110.25 2bt4 s SER 2120Ca 0.15 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.69 2bt4 s SER 2120Cb -0.12 -0.49 0.48 0.00 -1.71 0.00 0.00 66.02 64.19 2bt4 s SER 2120CO 0.04 -0.08 1.78 1.88 1.20 0.00 0.00 173.24 178.06 2bt4 h TYR 2121N 7.42 0.56 -0.12 3.44 -1.99 -1.32 -3.00 116.97 121.95 2bt4 h TYR 2121Ca -0.34 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.25 2bt4 h TYR 2121Cb 1.15 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.72 2bt4 h TYR 2121CO 0.49 0.64 -0.13 0.28 -0.00 0.00 0.00 178.16 179.44 2bt4 h VAL 2122N 0.47 1.16 0.00 -2.88 2.07 -1.86 -2.15 116.25 113.07 2bt4 h VAL 2122Ca 0.08 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2bt4 h VAL 2122Cb 0.53 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2bt4 h VAL 2122CO 0.03 0.22 0.00 0.28 0.02 0.00 0.00 177.57 178.13 2bt4 h SER 2123N 0.18 0.00 0.95 0.57 0.02 -1.87 -1.00 113.55 112.40 2bt4 h SER 2123Ca 0.04 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2bt4 h SER 2123Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2bt4 h SER 2123CO 0.02 0.00 -0.25 1.56 -1.14 0.00 0.00 176.83 177.02 2bt4 h GLN 2124N 0.00 0.00 0.00 3.45 4.20 -1.54 -3.33 115.11 117.90 2bt4 h GLN 2124Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2bt4 h GLN 2124Cb 0.20 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2bt4 h GLN 2124CO 0.00 0.25 -1.61 -2.13 -0.67 0.00 0.00 178.83 174.68 2bt4 n ARG 2125N -3.40 2.00 -1.66 1.46 3.00 -0.83 -5.01 116.66 112.22 2bt4 n ARG 2125Ca 0.00 0.01 -0.45 0.00 -0.00 0.00 0.00 57.85 57.42 2bt4 n ARG 2125Cb 0.45 -1.22 -0.02 0.00 0.00 0.00 0.00 32.46 31.67 2bt4 n ARG 2125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bt4 n ALA 2126N -2.45 0.83 -0.13 5.13 0.00 -0.44 -4.85 120.51 118.60 2bt4 n ALA 2126Ca -0.16 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 2bt4 n ALA 2126Cb 0.76 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 2bt4 n ALA 2126CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bt4 h ASP 2127N 3.53 0.71 -4.45 0.00 3.32 -1.30 -3.45 116.42 114.79 2bt4 h ASP 2127Ca -0.44 -0.34 -0.37 0.00 0.02 0.00 0.00 57.03 55.90 2bt4 h ASP 2127Cb 1.29 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 2bt4 h ASP 2127CO 0.71 0.88 -0.76 -0.83 -1.72 0.00 0.00 179.24 177.52 2bt4 s GLY 2128N -3.38 0.83 -0.09 2.75 0.00 -1.16 -5.06 107.32 101.21 2bt4 s GLY 2128Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2bt4 s GLY 2128CO 0.80 -1.09 -0.08 0.14 0.00 0.00 0.00 173.10 172.87 2bt4 s VAL 2129N -1.66 0.99 -0.14 1.40 1.01 -1.26 -1.00 120.40 119.75 2bt4 s VAL 2129Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2bt4 s VAL 2129Cb -0.08 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.33 2bt4 s VAL 2129CO 0.02 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.56 2bt4 s VAL 2130N 1.34 2.00 0.01 2.92 1.01 0.43 -4.98 120.40 123.13 2bt4 s VAL 2130Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2bt4 s VAL 2130Cb -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2bt4 s VAL 2130CO -0.04 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.53 2bt4 s ALA 2131N 0.87 0.56 0.00 5.51 0.00 -1.26 -0.88 121.76 126.55 2bt4 s ALA 2131Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2bt4 s ALA 2131Cb -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2bt4 s ALA 2131CO -0.03 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2bt4 n GLY 2132N 2.45 0.54 1.70 0.00 0.00 -0.83 -4.70 105.19 104.36 2bt4 n GLY 2132Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 2bt4 n GLY 2132CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bt4 n GLY 2134N 0.31 0.47 0.23 0.00 0.00 -0.72 -2.76 105.19 102.71 2bt4 n GLY 2134Ca 0.27 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.53 2bt4 n GLY 2134CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2bt4 h VAL 2135N 0.00 0.00 -0.02 1.61 -1.51 -1.86 -2.23 116.25 112.24 2bt4 h VAL 2135Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2bt4 h VAL 2135Cb 0.00 1.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2bt4 h VAL 2135CO 0.00 0.00 0.02 -0.61 -1.23 0.00 0.00 177.57 175.75 2bt4 h GLN 2136N 0.00 0.00 -0.84 5.19 4.15 -1.94 -1.69 115.11 119.99 2bt4 h GLN 2136Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.57 2bt4 h GLN 2136Cb 0.38 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 2bt4 h GLN 2136CO 0.00 0.00 0.55 0.78 -1.93 0.00 0.00 178.83 178.23 2bt4 h GLY 2137N 0.00 0.99 1.20 2.39 0.00 -1.21 -0.04 103.07 106.40 2bt4 h GLY 2137Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2bt4 h GLY 2137CO -0.00 0.07 0.35 -0.97 0.00 0.00 0.00 176.54 176.00 2bt4 h TYR 2138N 0.57 1.03 -0.46 5.60 -1.99 -1.52 -0.03 116.97 120.17 2bt4 h TYR 2138Ca 0.42 -0.04 -0.14 0.00 2.00 0.00 0.00 58.73 60.97 2bt4 h TYR 2138Cb 0.79 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 2bt4 h TYR 2138CO -0.00 0.75 -0.24 0.28 -0.00 0.00 0.00 178.16 178.95 2bt4 h VAL 2139N 1.03 1.27 -0.97 -2.88 2.07 -1.16 -1.94 116.25 113.67 2bt4 h VAL 2139Ca 0.25 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.37 2bt4 h VAL 2139Cb 0.10 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2bt4 h VAL 2139CO -0.03 0.48 0.63 -0.26 0.02 0.00 0.00 177.57 178.41 2bt4 h PHE 2140N 0.83 1.24 -0.22 1.57 0.05 -0.80 -0.16 116.94 119.45 2bt4 h PHE 2140Ca 0.10 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.96 2bt4 h PHE 2140Cb 0.82 -0.41 -0.05 0.00 2.00 0.00 0.00 35.95 38.30 2bt4 h PHE 2140CO 0.06 0.79 -0.13 0.78 -0.18 0.00 0.00 178.31 179.63 2bt4 h GLY 2141N 1.32 0.04 0.83 -1.45 0.00 -0.70 -0.08 103.07 103.03 2bt4 h GLY 2141Ca 0.35 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.88 2bt4 h GLY 2141CO -0.07 -0.14 0.32 -2.08 0.00 0.00 0.00 176.54 174.56 2bt4 h VAL 2142N -0.12 1.03 -0.75 4.60 2.07 -1.01 -1.13 116.25 120.94 2bt4 h VAL 2142Ca 0.12 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2bt4 h VAL 2142Cb 0.30 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2bt4 h VAL 2142CO -0.29 0.11 0.38 -0.33 0.02 0.00 0.00 177.57 177.46 2bt4 h GLU 2143N 0.63 1.05 -0.19 1.57 5.08 -0.63 0.15 114.58 122.24 2bt4 h GLU 2143Ca 0.23 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2bt4 h GLU 2143Cb 0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2bt4 h GLU 2143CO -0.12 0.79 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.55 2bt4 h ARG 2144N 1.05 0.37 -0.78 2.33 9.65 -0.50 -1.54 114.38 124.98 2bt4 h ARG 2144Ca 0.26 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2bt4 h ARG 2144Cb 0.07 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 2bt4 h ARG 2144CO -0.04 0.62 0.50 0.82 2.80 0.00 0.00 179.97 184.68 2bt4 h ILE 2145N 0.09 1.21 -0.97 1.20 1.08 -0.95 0.77 117.51 119.94 2bt4 h ILE 2145Ca 0.05 -0.40 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2bt4 h ILE 2145Cb 0.49 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 2bt4 h ILE 2145CO 0.02 0.20 0.64 0.00 -0.69 0.00 0.00 178.15 178.32 2bt4 h ALA 2146N 1.27 1.35 -0.20 1.87 0.00 -0.63 0.47 119.26 123.39 2bt4 h ALA 2146Ca 0.28 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2bt4 h ALA 2146Cb -0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 2bt4 h ALA 2146CO -0.06 0.57 -0.39 0.00 0.00 0.00 0.00 179.25 179.37 2bt4 h ALA 2147N 1.42 0.97 0.04 0.00 0.00 -0.44 -3.01 119.26 118.23 2bt4 h ALA 2147Ca 0.38 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 2bt4 h ALA 2147Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2bt4 h ALA 2147CO -0.11 0.62 -1.47 -0.07 0.00 0.00 0.00 179.25 178.23 2bt4 h LEU 2148N 0.37 0.12 -0.41 0.00 3.38 -0.05 -3.25 115.31 115.47 2bt4 h LEU 2148Ca 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2bt4 h LEU 2148Cb 0.85 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2bt4 h LEU 2148CO 0.07 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.76 2bt4 n ALA 2149N -2.54 2.53 -1.27 1.53 0.00 0.16 -5.04 120.51 115.88 2bt4 n ALA 2149Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2bt4 n ALA 2149Cb 1.02 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2bt4 n ALA 2149CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91