#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwc n ARG 2002N 0.00 0.06 -4.33 0.03 0.63 -1.26 -5.01 116.66 106.78 3hwc n ARG 2002Ca 0.00 0.06 -0.25 0.00 -0.92 0.00 0.00 57.85 56.74 3hwc n ARG 2002Cb 0.00 -1.67 -0.09 0.00 0.45 0.00 0.00 32.46 31.15 3hwc n ARG 2002CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3hwc s THR 2003N -2.07 3.09 0.14 5.15 -1.32 -1.26 -4.67 115.64 114.70 3hwc s THR 2003Ca 0.59 -1.91 -0.17 0.00 -1.21 0.00 0.00 61.69 58.99 3hwc s THR 2003Cb -0.30 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.10 3hwc s THR 2003CO 0.65 -0.25 1.77 1.23 -2.21 0.00 0.00 174.62 175.80 3hwc h GLY 2004N 2.46 0.42 0.44 6.08 0.00 -1.86 0.54 103.07 111.15 3hwc h GLY 2004Ca -0.45 -0.10 0.09 0.00 0.00 0.00 0.00 47.33 46.87 3hwc h GLY 2004CO 0.57 0.07 0.25 1.70 0.00 0.00 0.00 176.54 179.13 3hwc h LYS 2005N 0.31 0.43 -0.76 4.80 3.64 -1.96 -0.42 116.57 122.61 3hwc h LYS 2005Ca 0.13 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3hwc h LYS 2005Cb 0.06 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hwc h LYS 2005CO -0.10 0.28 0.24 1.96 -2.27 0.00 0.00 179.45 179.56 3hwc h GLN 2006N 0.44 1.17 -0.30 1.90 4.20 -1.81 -2.26 115.11 118.45 3hwc h GLN 2006Ca 0.30 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hwc h GLN 2006Cb 0.34 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3hwc h GLN 2006CO -0.28 0.99 0.20 -0.92 -0.67 0.00 0.00 178.83 178.15 3hwc h TYR 2007N 1.13 0.37 -0.40 2.96 3.20 -0.07 -2.44 116.97 121.71 3hwc h TYR 2007Ca 0.24 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 3hwc h TYR 2007Cb 0.31 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3hwc h TYR 2007CO 0.03 0.23 0.07 -0.07 -1.64 0.00 0.00 178.16 176.77 3hwc h LEU 2008N 0.40 0.56 -0.57 2.82 3.38 -0.80 -2.47 115.31 118.62 3hwc h LEU 2008Ca 0.11 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3hwc h LEU 2008Cb -0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hwc h LEU 2008CO -0.03 0.58 -0.08 -0.33 0.09 0.00 0.00 178.44 178.67 3hwc h GLU 2009N 0.59 1.06 0.00 1.13 5.08 -1.23 -3.00 114.58 118.20 3hwc h GLU 2009Ca 0.13 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hwc h GLU 2009Cb 0.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hwc h GLU 2009CO 0.00 1.08 0.00 -1.13 -1.00 0.00 0.00 179.01 177.96 3hwc n SER 2010N -4.15 0.61 0.11 1.42 3.41 -0.93 -2.15 113.62 111.94 3hwc n SER 2010Ca 0.02 0.68 -0.04 0.00 -0.26 0.00 0.00 58.87 59.27 3hwc n SER 2010Cb 0.39 -0.80 0.09 0.00 -0.26 0.00 0.00 64.21 63.63 3hwc n SER 2010CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hwc h LEU 2011N 0.00 0.07 -5.13 1.04 3.38 -1.43 -3.36 115.31 109.87 3hwc h LEU 2011Ca 0.00 -0.05 -0.68 0.00 0.09 0.00 0.00 57.88 57.24 3hwc h LEU 2011Cb 0.28 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hwc h LEU 2011CO 0.00 0.77 3.72 -3.20 0.09 0.00 0.00 178.44 179.82 3hwc n ASN 2012N -3.71 8.26 -0.38 -0.43 5.15 -0.91 -4.50 115.26 118.74 3hwc n ASN 2012Ca -0.01 -2.62 0.07 0.00 -0.60 0.00 0.00 54.58 51.41 3hwc n ASN 2012Cb 0.70 -1.56 0.15 0.00 -0.53 0.00 0.00 39.78 38.54 3hwc n ASN 2012CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3hwc n ASP 2013N 3.74 2.82 -0.28 1.20 5.75 -1.26 -4.96 116.55 123.56 3hwc n ASP 2013Ca 0.75 -2.71 -0.03 0.00 -0.01 0.00 0.00 54.79 52.79 3hwc n ASP 2013Cb 0.25 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 39.97 3hwc n ASP 2013CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwc n GLY 2014N -0.71 0.56 3.76 6.12 0.00 -1.26 -4.90 105.19 108.76 3hwc n GLY 2014Ca 0.14 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3hwc n GLY 2014CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hwc s ARG 2015N -2.65 4.42 -0.37 1.61 1.70 -1.26 -4.95 118.95 117.45 3hwc s ARG 2015Ca 0.00 2.11 -0.16 0.00 -0.47 0.00 0.00 55.73 57.21 3hwc s ARG 2015Cb 0.00 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.28 3hwc s ARG 2015CO 0.00 -0.10 0.39 0.54 -1.08 0.00 0.00 175.30 175.05 3hwc s VAL 2016N -1.05 5.13 -0.02 4.99 0.11 -1.26 -4.97 120.40 123.33 3hwc s VAL 2016Ca 0.48 -0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 3hwc s VAL 2016Cb -0.38 -3.91 0.02 0.00 -1.53 0.00 0.00 36.38 30.57 3hwc s VAL 2016CO 0.49 -0.23 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.32 3hwc s VAL 2017N 2.07 0.30 -0.09 2.04 1.01 -1.26 -1.82 120.40 122.65 3hwc s VAL 2017Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3hwc s VAL 2017Cb -0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3hwc s VAL 2017CO 0.12 0.14 -0.07 0.26 0.00 0.00 0.00 175.10 175.55 3hwc s TRP 2018N 0.60 2.93 -0.39 5.22 0.52 0.28 -0.26 118.94 127.84 3hwc s TRP 2018Ca -0.06 -0.09 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 3hwc s TRP 2018Cb -0.10 -1.76 0.10 0.00 -1.15 0.00 0.00 33.47 30.56 3hwc s TRP 2018CO -0.01 0.23 0.17 0.08 0.02 0.00 0.00 176.95 177.44 3hwc s VAL 2019N -0.53 3.33 0.00 4.03 1.01 0.12 0.24 120.40 128.60 3hwc s VAL 2019Ca 0.08 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3hwc s VAL 2019Cb -0.12 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3hwc s VAL 2019CO 0.02 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.16 3hwc n GLY 2020N 4.63 3.36 0.22 4.51 0.00 -0.38 -1.94 105.19 115.58 3hwc n GLY 2020Ca -0.05 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.89 3hwc n GLY 2020CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hwc h ASN 2021N 0.75 0.00 -3.39 1.61 2.35 -1.94 -3.45 115.58 111.51 3hwc h ASN 2021Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 3hwc h ASN 2021Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 3hwc h ASN 2021CO 0.00 0.27 0.33 -0.70 -1.65 0.00 0.00 177.43 175.68 3hwc s GLU 2022N -3.89 4.13 0.29 0.81 2.56 -0.82 -5.05 118.70 116.74 3hwc s GLU 2022Ca -0.01 0.73 -0.29 0.00 0.00 0.00 0.00 54.97 55.40 3hwc s GLU 2022Cb 0.12 -3.66 -0.09 0.00 2.00 0.00 0.00 34.13 32.50 3hwc s GLU 2022CO 0.65 -0.49 1.06 0.21 -0.56 0.00 0.00 175.26 176.14 3hwc s LYS 2023N 2.70 4.60 -0.24 4.30 2.36 -1.26 0.16 119.74 132.36 3hwc s LYS 2023Ca 0.31 1.70 -0.08 0.00 -2.55 0.00 0.00 55.97 55.35 3hwc s LYS 2023Cb -0.15 -3.09 -0.03 0.00 -1.05 0.00 0.00 37.83 33.50 3hwc s LYS 2023CO 0.08 0.20 0.08 0.42 1.55 0.00 0.00 175.35 177.69 3hwc s ILE 2024N -1.25 4.55 0.01 5.43 -1.09 0.64 -4.90 121.20 124.58 3hwc s ILE 2024Ca 0.46 -0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.57 3hwc s ILE 2024Cb -0.29 -3.11 -0.19 0.00 -1.58 0.00 0.00 42.46 37.28 3hwc s ILE 2024CO 0.37 0.35 1.19 -2.24 -1.23 0.00 0.00 174.94 173.39 3hwc h ASP 2025N 7.91 0.39 -2.27 3.58 -0.00 -1.93 -3.41 116.42 120.69 3hwc h ASP 2025Ca -0.37 -0.64 -0.27 0.00 -0.00 0.00 0.00 57.03 55.75 3hwc h ASP 2025Cb 1.18 -0.11 -0.34 0.00 -0.00 0.00 0.00 39.33 40.06 3hwc h ASP 2025CO 0.60 0.96 -0.58 0.21 -0.00 0.00 0.00 179.24 180.42 3hwc s ASN 2026N -6.35 1.08 0.36 4.15 2.47 -1.26 -4.84 114.94 110.56 3hwc s ASN 2026Ca -0.14 -0.18 0.13 0.00 0.42 0.00 0.00 52.86 53.09 3hwc s ASN 2026Cb 0.04 0.63 0.96 0.00 -1.45 0.00 0.00 41.25 41.42 3hwc s ASN 2026CO 0.77 -0.33 1.79 0.58 -3.72 0.00 0.00 177.10 176.19 3hwc h VAL 2027N 6.26 0.62 0.00 -5.21 2.07 -1.85 0.16 116.25 118.30 3hwc h VAL 2027Ca -0.17 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3hwc h VAL 2027Cb 1.14 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3hwc h VAL 2027CO 0.29 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3hwc h ALA 2028N 1.64 1.00 0.00 1.67 0.00 -1.88 -3.16 119.26 118.53 3hwc h ALA 2028Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3hwc h ALA 2028Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hwc h ALA 2028CO -0.32 0.00 -0.81 2.41 0.00 0.00 0.00 179.25 180.54 3hwc n THR 2029N -2.68 0.00 -1.90 0.00 -1.04 -0.13 -4.51 114.28 104.03 3hwc n THR 2029Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.61 3hwc n THR 2029Cb 0.21 -0.26 -0.00 0.00 -1.82 0.00 0.00 70.33 68.46 3hwc n THR 2029CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3hwc s HIS 2030N -1.72 2.69 0.62 -1.42 5.04 -0.21 -4.71 115.29 115.59 3hwc s HIS 2030Ca 0.00 1.27 0.33 0.00 -1.54 0.00 0.00 55.06 55.12 3hwc s HIS 2030Cb 0.00 -3.89 1.90 0.00 0.04 0.00 0.00 32.58 30.63 3hwc s HIS 2030CO 0.00 -2.63 2.18 -1.35 -2.34 0.00 0.00 174.74 170.60 3hwc h PRO 2031N 2.92 0.00 0.00 2.88 0.11 -1.93 0.26 132.00 136.25 3hwc h PRO 2031Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hwc h PRO 2031Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hwc h PRO 2031CO 0.64 0.00 -0.64 1.28 -0.21 0.00 0.00 178.00 179.06 3hwc n LEU 2032N -3.49 0.60 0.00 2.35 4.77 -1.26 -4.47 117.00 115.50 3hwc n LEU 2032Ca -0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hwc n LEU 2032Cb 0.21 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hwc n LEU 2032CO 0.24 0.12 -0.28 0.35 -1.33 0.00 0.00 177.39 176.49 3hwc n THR 2033N -1.59 0.00 -0.18 -5.08 -2.24 -0.74 -4.84 114.28 99.61 3hwc n THR 2033Ca 0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.86 3hwc n THR 2033Cb 0.35 0.11 0.31 0.00 -2.10 0.00 0.00 70.33 69.00 3hwc n THR 2033CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3hwc h ARG 2034N 0.00 0.83 -0.30 -0.78 0.11 -0.47 -1.95 114.38 111.81 3hwc h ARG 2034Ca 0.00 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.98 3hwc h ARG 2034Cb 0.12 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 3hwc h ARG 2034CO 0.00 0.55 0.01 -0.44 0.10 0.00 0.00 179.97 180.19 3hwc h ASP 2035N 0.85 0.52 -0.29 0.08 3.45 -1.85 0.48 116.42 119.67 3hwc h ASP 2035Ca 0.28 -0.30 -0.08 0.00 0.43 0.00 0.00 57.03 57.36 3hwc h ASP 2035Cb 0.06 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3hwc h ASP 2035CO -0.08 0.69 -0.13 0.22 -1.57 0.00 0.00 179.24 178.38 3hwc h TYR 2036N 0.33 0.68 -0.98 4.55 5.03 -1.60 -2.51 116.97 122.47 3hwc h TYR 2036Ca 0.09 -0.17 0.21 0.00 2.58 0.00 0.00 58.73 61.44 3hwc h TYR 2036Cb 0.42 -0.16 -0.09 0.00 1.55 0.00 0.00 36.73 38.45 3hwc h TYR 2036CO 0.03 0.83 0.62 0.00 -1.32 0.00 0.00 178.16 178.32 3hwc h ALA 2037N 0.75 1.96 0.00 1.82 0.00 -1.19 0.34 119.26 122.94 3hwc h ALA 2037Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hwc h ALA 2037Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hwc h ALA 2037CO 0.04 -0.31 0.00 0.93 0.00 0.00 0.00 179.25 179.91 3hwc h GLU 2038N 0.57 0.00 0.01 0.00 5.08 -0.59 -1.79 114.58 117.87 3hwc h GLU 2038Ca 0.55 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.66 3hwc h GLU 2038Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 3hwc h GLU 2038CO -0.30 0.00 -1.01 0.00 -1.00 0.00 0.00 179.01 176.70 3hwc h ARG 2039N 0.00 0.52 -0.35 2.33 2.47 0.07 -0.16 114.38 119.25 3hwc h ARG 2039Ca 0.00 -0.58 -0.13 0.00 -1.26 0.00 0.00 59.98 58.01 3hwc h ARG 2039Cb 0.66 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 3hwc h ARG 2039CO 0.00 1.21 -0.32 0.28 0.56 0.00 0.00 179.97 181.70 3hwc h VAL 2040N 0.28 1.28 -0.20 2.04 2.07 -1.16 0.83 116.25 121.39 3hwc h VAL 2040Ca -0.11 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 65.96 3hwc h VAL 2040Cb 1.66 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3hwc h VAL 2040CO 0.18 0.48 0.11 0.00 0.02 0.00 0.00 177.57 178.37 3hwc h ALA 2041N 0.99 0.24 -0.87 1.67 0.00 -1.33 -2.33 119.26 117.63 3hwc h ALA 2041Ca 0.07 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.11 3hwc h ALA 2041Cb 0.85 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 3hwc h ALA 2041CO 0.07 -0.30 0.49 0.37 0.00 0.00 0.00 179.25 179.88 3hwc h GLN 2042N 0.23 0.72 -0.38 0.00 4.15 -0.62 -0.62 115.11 118.59 3hwc h GLN 2042Ca 0.08 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.51 3hwc h GLN 2042Cb 0.00 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.48 3hwc h GLN 2042CO -0.04 0.47 0.07 0.35 -1.93 0.00 0.00 178.83 177.75 3hwc h PHE 2043N 0.74 0.12 -0.31 3.99 3.57 -0.33 -1.02 116.94 123.70 3hwc h PHE 2043Ca 0.45 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.90 3hwc h PHE 2043Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3hwc h PHE 2043CO -0.06 0.01 -0.08 1.88 -2.23 0.00 0.00 178.31 177.83 3hwc h TYR 2044N 0.20 0.68 -0.15 0.41 -1.99 -0.82 -3.13 116.97 112.16 3hwc h TYR 2044Ca 0.18 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.71 3hwc h TYR 2044Cb 0.21 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 3hwc h TYR 2044CO -0.20 0.79 -0.13 -0.44 -0.00 0.00 0.00 178.16 178.19 3hwc h ASP 2045N 0.38 0.23 -0.98 3.88 3.45 -0.95 -2.56 116.42 119.86 3hwc h ASP 2045Ca 0.08 -0.05 0.22 0.00 0.43 0.00 0.00 57.03 57.71 3hwc h ASP 2045Cb 0.58 -0.06 -0.09 0.00 -0.56 0.00 0.00 39.33 39.20 3hwc h ASP 2045CO 0.03 0.38 0.62 -0.07 -1.57 0.00 0.00 179.24 178.64 3hwc h LEU 2046N 0.23 0.56 0.00 1.55 3.38 -1.12 -0.16 115.31 119.75 3hwc h LEU 2046Ca 0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hwc h LEU 2046Cb 0.37 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hwc h LEU 2046CO 0.02 0.18 0.00 1.41 0.09 0.00 0.00 178.44 180.15 3hwc n HIS 2047N -4.64 0.00 1.02 1.13 8.25 -0.96 -2.03 115.22 117.99 3hwc n HIS 2047Ca 0.23 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.80 3hwc n HIS 2047Cb 0.70 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 31.40 3hwc n HIS 2047CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hwc n HIS 2048N -1.42 0.00 -1.72 4.41 8.25 -0.07 -4.84 115.22 119.83 3hwc n HIS 2048Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.10 3hwc n HIS 2048Cb 0.19 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 3hwc n HIS 2048CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3hwc s ARG 2049N -2.58 4.05 0.24 -0.41 1.81 -0.86 -4.88 118.95 116.32 3hwc s ARG 2049Ca 0.17 2.49 -0.04 0.00 -1.72 0.00 0.00 55.73 56.62 3hwc s ARG 2049Cb 0.18 -4.16 0.40 0.00 -0.45 0.00 0.00 34.95 30.92 3hwc s ARG 2049CO 0.62 -1.06 1.80 -1.35 -0.68 0.00 0.00 175.30 174.64 3hwc h PRO 2050N 10.88 0.74 0.00 3.54 0.11 -1.91 -1.28 132.00 144.08 3hwc h PRO 2050Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hwc h PRO 2050Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hwc h PRO 2050CO 0.95 0.49 0.00 0.38 -0.21 0.00 0.00 178.00 179.61 3hwc h ASP 2051N 0.77 0.00 -0.35 -2.05 -0.00 -1.97 -2.82 116.42 110.00 3hwc h ASP 2051Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.43 3hwc h ASP 2051Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 3hwc h ASP 2051CO -0.26 0.00 0.00 0.18 -0.00 0.00 0.00 179.24 179.16 3hwc n LEU 2052N -2.53 3.03 -0.27 0.15 4.77 -0.50 -4.68 117.00 116.96 3hwc n LEU 2052Ca 0.01 -1.70 0.05 0.00 -0.03 0.00 0.00 56.01 54.34 3hwc n LEU 2052Cb 0.20 -0.23 0.28 0.00 -2.33 0.00 0.00 43.42 41.34 3hwc n LEU 2052CO 0.20 0.71 1.24 1.56 -1.33 0.00 0.00 177.39 179.76 3hwc h GLN 2053N 2.97 0.91 -0.10 3.23 1.08 -1.26 -1.54 115.11 120.41 3hwc h GLN 2053Ca 0.00 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 3hwc h GLN 2053Cb 0.78 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3hwc h GLN 2053CO 0.00 0.60 -0.30 0.22 -0.95 0.00 0.00 178.83 178.41 3hwc h ASP 2054N 0.94 0.43 0.45 1.46 3.58 -1.83 -2.20 116.42 119.25 3hwc h ASP 2054Ca 0.37 -0.60 -0.15 0.00 0.42 0.00 0.00 57.03 57.06 3hwc h ASP 2054Cb 0.23 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3hwc h ASP 2054CO -0.13 0.96 -0.66 -0.37 -2.88 0.00 0.00 179.24 176.15 3hwc h VAL 2055N -0.07 1.42 0.00 2.25 -1.51 -1.86 -3.34 116.25 113.15 3hwc h VAL 2055Ca -0.01 -2.14 -0.13 0.00 -1.23 0.00 0.00 66.70 63.19 3hwc h VAL 2055Cb 0.91 2.12 -0.02 0.00 -2.13 0.00 0.00 31.29 32.17 3hwc h VAL 2055CO 0.06 0.63 -1.71 0.18 -1.23 0.00 0.00 177.57 175.50 3hwc n LEU 2056N -3.81 0.44 -4.27 4.19 4.32 -0.59 -4.40 117.00 112.86 3hwc n LEU 2056Ca -0.02 0.18 -0.17 0.00 -0.02 0.00 0.00 56.01 55.98 3hwc n LEU 2056Cb 0.66 0.11 -0.10 0.00 -1.62 0.00 0.00 43.42 42.46 3hwc n LEU 2056CO 0.45 0.12 -0.44 0.42 -1.22 0.00 0.00 177.39 176.72 3hwc s THR 2057N -3.09 1.40 0.07 -5.08 -4.23 -0.83 0.10 115.64 103.98 3hwc s THR 2057Ca -0.05 -1.96 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 3hwc s THR 2057Cb 0.10 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 3hwc s THR 2057CO 0.84 -0.57 0.13 0.72 -0.54 0.00 0.00 174.62 175.21 3hwc s PHE 2058N -2.73 0.24 -0.37 3.99 -0.00 0.11 -4.66 117.98 114.55 3hwc s PHE 2058Ca 0.15 -0.68 -0.24 0.00 -0.00 0.00 0.00 56.93 56.16 3hwc s PHE 2058Cb -0.01 -0.14 0.01 0.00 -0.00 0.00 0.00 43.02 42.87 3hwc s PHE 2058CO 0.03 -0.49 0.81 0.08 -0.00 0.00 0.00 175.22 175.65 3hwc s VAL 2059N -3.76 4.70 1.07 -2.49 1.01 -1.26 -0.48 120.40 119.20 3hwc s VAL 2059Ca 0.04 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 3hwc s VAL 2059Cb 0.05 -4.24 0.23 0.00 0.00 0.00 0.00 36.38 32.42 3hwc s VAL 2059CO -0.10 -0.48 1.19 -0.62 0.00 0.00 0.00 175.10 175.09 3hwc s ASP 2060N 1.88 2.11 0.61 3.32 3.68 0.42 -4.86 116.67 123.82 3hwc s ASP 2060Ca 0.32 0.55 0.40 0.00 2.13 0.00 0.00 52.55 55.95 3hwc s ASP 2060Cb -0.13 -0.77 1.95 0.00 -1.45 0.00 0.00 42.92 42.52 3hwc s ASP 2060CO 0.18 -3.38 2.19 0.00 0.13 0.00 0.00 175.17 174.29 3hwc h ALA 2061N -2.08 1.00 -0.54 3.66 0.00 -1.97 -1.28 119.26 118.05 3hwc h ALA 2061Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hwc h ALA 2061Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hwc h ALA 2061CO 0.40 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 3hwc n ASP 2062N -3.06 2.98 0.00 0.00 3.85 -1.26 -4.91 116.55 114.15 3hwc n ASP 2062Ca -0.01 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.07 3hwc n ASP 2062Cb 0.17 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.58 3hwc n ASP 2062CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hwc n GLY 2063N 1.39 0.99 3.73 6.12 0.00 -0.48 -5.02 105.19 111.91 3hwc n GLY 2063Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3hwc n GLY 2063CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwc s VAL 2064N -3.57 5.16 -0.12 1.61 1.01 -1.26 -4.74 120.40 118.50 3hwc s VAL 2064Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 3hwc s VAL 2064Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3hwc s VAL 2064CO 0.00 0.33 1.20 -0.60 0.00 0.00 0.00 175.10 176.03 3hwc s ARG 2065N 0.55 4.30 0.36 2.72 3.52 -1.26 -0.44 118.95 128.70 3hwc s ARG 2065Ca 0.27 1.62 0.04 0.00 -0.13 0.00 0.00 55.73 57.53 3hwc s ARG 2065Cb -0.15 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3hwc s ARG 2065CO 0.11 -0.55 0.13 1.03 -0.81 0.00 0.00 175.30 175.21 3hwc s ARG 2066N 2.78 1.79 0.29 5.12 0.52 0.37 -4.54 118.95 125.28 3hwc s ARG 2066Ca 0.54 -2.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.40 3hwc s ARG 2066Cb -0.22 -0.47 -0.10 0.00 0.52 0.00 0.00 34.95 34.68 3hwc s ARG 2066CO 0.17 -0.44 1.15 0.45 0.02 0.00 0.00 175.30 176.65 3hwc s SER 2067N -3.52 7.16 0.00 0.23 0.15 -1.26 -0.72 113.70 115.75 3hwc s SER 2067Ca 0.30 2.36 0.04 0.00 0.70 0.00 0.00 55.95 59.35 3hwc s SER 2067Cb 0.04 -2.63 0.21 0.00 -1.71 0.00 0.00 66.02 61.93 3hwc s SER 2067CO 0.16 -0.23 1.02 0.54 1.20 0.00 0.00 173.24 175.93 3hwc n ARG 2068N 1.13 0.04 -0.25 5.44 1.74 0.11 -1.27 116.66 123.61 3hwc n ARG 2068Ca -0.01 0.30 0.21 0.00 -0.77 0.00 0.00 57.85 57.58 3hwc n ARG 2068Cb 0.44 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.92 3hwc n ARG 2068CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3hwc h GLN 2069N 0.00 0.34 -0.01 5.56 4.15 -1.90 -1.48 115.11 121.77 3hwc h GLN 2069Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3hwc h GLN 2069Cb 0.05 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3hwc h GLN 2069CO 0.00 0.22 -0.31 0.91 -1.93 0.00 0.00 178.83 177.72 3hwc n TRP 2070N -4.49 0.00 -2.75 3.99 7.02 -0.39 -4.79 117.44 116.03 3hwc n TRP 2070Ca 0.20 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.28 3hwc n TRP 2070Cb 0.76 -0.07 -0.06 0.00 -2.42 0.00 0.00 31.31 29.53 3hwc n TRP 2070CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3hwc s GLN 2071N -2.45 4.83 -0.22 -0.99 0.74 -0.56 -5.05 119.66 115.97 3hwc s GLN 2071Ca 0.23 1.48 -0.12 0.00 0.05 0.00 0.00 55.36 57.00 3hwc s GLN 2071Cb 0.19 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.96 3hwc s GLN 2071CO 0.52 0.48 0.22 -0.51 -0.55 0.00 0.00 175.29 175.45 3hwc s ASP 2072N -1.02 6.24 0.02 6.67 1.01 -1.26 -5.05 116.67 123.28 3hwc s ASP 2072Ca 0.42 0.26 -0.30 0.00 0.71 0.00 0.00 52.55 53.64 3hwc s ASP 2072Cb -0.26 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3hwc s ASP 2072CO 0.32 0.05 1.06 -2.84 0.21 0.00 0.00 175.17 173.97 3hwc s PRO 2073N 0.95 4.50 -0.03 8.23 0.02 -1.26 -4.94 135.00 142.47 3hwc s PRO 2073Ca 0.11 1.55 0.21 0.00 0.02 0.00 0.00 61.00 62.89 3hwc s PRO 2073Cb -0.13 -3.43 -0.32 0.00 0.02 0.00 0.00 34.50 30.64 3hwc s PRO 2073CO 0.04 -0.14 0.48 1.63 -0.33 0.00 0.00 177.00 178.67 3hwc n LYS 2074N 3.99 0.62 -3.90 5.54 4.01 -1.26 -0.90 118.16 126.27 3hwc n LYS 2074Ca 0.07 -0.19 -0.11 0.00 -0.51 0.00 0.00 58.31 57.58 3hwc n LYS 2074Cb 0.49 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 3hwc n LYS 2074CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 3hwc s ASP 2075N -4.38 0.30 0.25 4.39 3.84 -1.26 -4.44 116.67 115.36 3hwc s ASP 2075Ca -0.07 -1.25 -0.04 0.00 -0.00 0.00 0.00 52.55 51.18 3hwc s ASP 2075Cb 0.14 0.79 0.47 0.00 -1.38 0.00 0.00 42.92 42.94 3hwc s ASP 2075CO 0.88 -1.57 1.70 0.00 -0.00 0.00 0.00 175.17 176.17 3hwc h ALA 2076N 2.03 1.00 -0.53 2.11 0.00 -1.94 0.14 119.26 122.07 3hwc h ALA 2076Ca -0.31 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hwc h ALA 2076Cb 1.25 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3hwc h ALA 2076CO 0.40 -0.31 0.27 0.00 0.00 0.00 0.00 179.25 179.61 3hwc h ALA 2077N 1.59 0.68 -0.83 0.00 0.00 -1.96 -1.02 119.26 117.73 3hwc h ALA 2077Ca 0.42 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.36 3hwc h ALA 2077Cb 0.70 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3hwc h ALA 2077CO -0.48 -0.07 0.54 0.78 0.00 0.00 0.00 179.25 180.01 3hwc h GLY 2078N 0.52 1.17 1.90 0.00 0.00 -1.22 -2.61 103.07 102.83 3hwc h GLY 2078Ca 0.23 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3hwc h GLY 2078CO -0.16 0.44 -0.34 -2.00 0.00 0.00 0.00 176.54 174.47 3hwc h LEU 2079N 1.13 0.12 -0.76 3.11 5.85 0.32 -1.89 115.31 123.18 3hwc h LEU 2079Ca 0.30 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 3hwc h LEU 2079Cb -0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3hwc h LEU 2079CO -0.06 0.46 -0.60 0.03 -0.34 0.00 0.00 178.44 177.92 3hwc h ARG 2080N 0.10 0.07 -0.43 1.25 3.08 -0.89 0.13 114.38 117.69 3hwc h ARG 2080Ca 0.01 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3hwc h ARG 2080Cb 0.66 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3hwc h ARG 2080CO 0.05 0.65 -0.08 0.28 -1.07 0.00 0.00 179.97 179.80 3hwc h VAL 2081N 0.05 1.27 -0.08 2.04 2.07 -1.18 -0.26 116.25 120.17 3hwc h VAL 2081Ca -0.01 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3hwc h VAL 2081Cb 1.07 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3hwc h VAL 2081CO 0.08 0.40 0.04 0.50 0.02 0.00 0.00 177.57 178.61 3hwc h LYS 2082N 0.63 0.12 -0.97 1.57 3.64 -1.15 -0.95 116.57 119.46 3hwc h LYS 2082Ca 0.11 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3hwc h LYS 2082Cb 0.60 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 3hwc h LYS 2082CO 0.04 0.20 0.64 -0.09 -2.27 0.00 0.00 179.45 177.97 3hwc h ARG 2083N 0.00 1.22 -0.19 1.90 2.43 -0.92 -1.09 114.38 117.72 3hwc h ARG 2083Ca 0.03 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 3hwc h ARG 2083Cb 0.13 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3hwc h ARG 2083CO -0.00 0.81 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.75 3hwc h LYS 2084N 1.26 0.38 0.13 0.20 3.64 -0.78 0.02 116.57 121.41 3hwc h LYS 2084Ca 0.37 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3hwc h LYS 2084Cb -0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3hwc h LYS 2084CO -0.10 0.64 -0.06 -0.92 -2.27 0.00 0.00 179.45 176.74 3hwc h TYR 2085N 0.33 -0.16 -0.70 1.91 3.20 -0.20 -2.24 116.97 119.11 3hwc h TYR 2085Ca 0.05 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3hwc h TYR 2085Cb 0.69 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 3hwc h TYR 2085CO 0.02 -0.10 0.21 0.45 -1.64 0.00 0.00 178.16 177.10 3hwc h HIS 2086N -0.17 1.12 -0.16 -3.82 3.86 -0.82 -2.80 115.15 112.35 3hwc h HIS 2086Ca -0.02 -0.11 -0.10 0.00 -1.16 0.00 0.00 60.37 58.99 3hwc h HIS 2086Cb 0.13 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3hwc h HIS 2086CO -0.07 0.89 -0.32 0.93 0.86 0.00 0.00 177.93 180.22 3hwc h GLU 2087N 1.04 0.31 -0.41 2.45 5.08 -0.97 -1.98 114.58 120.09 3hwc h GLU 2087Ca 0.23 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3hwc h GLU 2087Cb 0.31 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3hwc h GLU 2087CO -0.01 0.61 -0.07 1.15 -1.00 0.00 0.00 179.01 179.69 3hwc h THR 2088N 0.27 1.27 0.11 1.13 2.02 -1.21 -0.65 112.91 115.86 3hwc h THR 2088Ca 0.04 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 3hwc h THR 2088Cb 0.71 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3hwc h THR 2088CO 0.05 0.39 -0.06 0.40 0.37 0.00 0.00 175.52 176.67 3hwc h ILE 2089N 0.59 0.87 -0.69 3.11 1.08 -1.31 -2.67 117.51 118.49 3hwc h ILE 2089Ca 0.11 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.53 3hwc h ILE 2089Cb 0.59 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 3hwc h ILE 2089CO 0.03 0.00 0.25 -0.07 -0.69 0.00 0.00 178.15 177.68 3hwc h LEU 2090N -0.16 0.97 -1.28 1.44 3.38 -1.28 -2.29 115.31 116.09 3hwc h LEU 2090Ca -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3hwc h LEU 2090Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hwc h LEU 2090CO 0.01 0.89 -0.18 0.03 0.09 0.00 0.00 178.44 179.29 3hwc h ARG 2091N 0.99 0.27 0.06 1.13 3.08 -1.10 0.19 114.38 119.00 3hwc h ARG 2091Ca 0.23 -0.07 -0.24 0.00 0.07 0.00 0.00 59.98 59.96 3hwc h ARG 2091Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3hwc h ARG 2091CO -0.01 0.45 -1.08 0.93 -1.07 0.00 0.00 179.97 179.18 3hwc h GLU 2092N 0.25 0.22 -4.37 0.04 4.39 -1.19 -3.40 114.58 110.53 3hwc h GLU 2092Ca 0.05 -0.32 -0.71 0.00 0.34 0.00 0.00 59.36 58.71 3hwc h GLU 2092Cb 0.47 0.11 -0.31 0.00 -0.10 0.00 0.00 28.75 28.91 3hwc h GLU 2092CO 0.03 1.10 -0.45 0.42 -1.16 0.00 0.00 179.01 178.96 3hwc s ILE 2093N -2.86 3.89 -1.29 3.13 1.01 -0.89 -4.73 121.20 119.46 3hwc s ILE 2093Ca -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 60.65 58.70 3hwc s ILE 2093Cb 0.08 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.98 3hwc s ILE 2093CO 0.86 -0.74 1.07 0.00 0.00 0.00 0.00 174.94 176.13 3hwc n ALA 2094N 4.80 -1.66 -3.53 9.38 0.00 -1.26 -2.69 120.51 125.54 3hwc n ALA 2094Ca -0.06 0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 3hwc n ALA 2094Cb 0.41 -3.92 0.02 0.00 0.00 0.00 0.00 19.45 15.96 3hwc n ALA 2094CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwc n ALA 2095N -4.57 -1.14 -2.53 0.00 0.00 -1.26 -1.35 120.51 109.66 3hwc n ALA 2095Ca -0.14 0.18 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 3hwc n ALA 2095Cb 0.61 -3.77 0.01 0.00 0.00 0.00 0.00 19.45 16.30 3hwc n ALA 2095CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwc n GLY 2096N -1.47 -0.31 0.15 0.00 0.00 0.66 -4.91 105.19 99.31 3hwc n GLY 2096Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.94 3hwc n GLY 2096CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hwc h SER 2097N -0.43 0.00 -3.32 1.61 0.02 -1.33 -3.46 113.55 106.64 3hwc h SER 2097Ca -0.41 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.95 3hwc h SER 2097Cb 1.30 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.74 3hwc h SER 2097CO 0.47 0.30 -0.28 -0.31 -1.14 0.00 0.00 176.83 175.87 3hwc s TYR 2098N -3.08 3.46 -1.66 3.45 2.02 -1.26 -4.97 117.35 115.31 3hwc s TYR 2098Ca 0.03 0.65 0.16 0.00 -0.37 0.00 0.00 57.07 57.55 3hwc s TYR 2098Cb 0.07 -2.40 0.04 0.00 -0.40 0.00 0.00 41.96 39.27 3hwc s TYR 2098CO 0.74 0.20 0.91 0.41 -1.57 0.00 0.00 175.55 176.24 3hwc n GLY 2099N 3.42 0.05 1.78 0.71 0.00 -1.26 -4.59 105.19 105.30 3hwc n GLY 2099Ca -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 3hwc n GLY 2099CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwc n ARG 2100N 0.22 1.80 -0.86 1.61 5.12 -1.26 -4.85 116.66 118.45 3hwc n ARG 2100Ca 0.08 -3.29 -0.30 0.00 -1.93 0.00 0.00 57.85 52.41 3hwc n ARG 2100Cb 0.36 -1.42 0.17 0.00 -1.16 0.00 0.00 32.46 30.42 3hwc n ARG 2100CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hwc s LEU 2101N -2.74 2.16 0.29 0.55 1.43 -1.26 -4.81 118.68 114.31 3hwc s LEU 2101Ca 0.38 1.77 0.03 0.00 -1.03 0.00 0.00 54.13 55.28 3hwc s LEU 2101Cb 0.37 -4.07 0.62 0.00 0.03 0.00 0.00 46.19 43.14 3hwc s LEU 2101CO -0.06 -3.16 1.82 -0.65 0.23 0.00 0.00 176.35 174.54 3hwc h PRO 2102N -1.91 0.89 0.00 1.29 0.11 -1.97 -0.63 132.00 129.79 3hwc h PRO 2102Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 3hwc h PRO 2102Cb 1.29 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hwc h PRO 2102CO 0.49 0.59 -0.12 0.38 -0.21 0.00 0.00 178.00 179.12 3hwc h ASP 2103N 0.92 0.00 0.44 -2.05 -0.00 -1.96 -0.64 116.42 113.12 3hwc h ASP 2103Ca 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.53 3hwc h ASP 2103Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.94 3hwc h ASP 2103CO -0.29 0.12 -0.21 0.00 -0.00 0.00 0.00 179.24 178.86 3hwc h ALA 2104N 1.88 -0.59 0.00 4.15 0.00 -1.43 -3.35 119.26 119.91 3hwc h ALA 2104Ca -0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 3hwc h ALA 2104Cb 0.37 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3hwc h ALA 2104CO 0.02 -0.67 -1.76 -2.39 0.00 0.00 0.00 179.25 174.45 3hwc n HIS 2105N -5.23 0.61 -0.26 0.00 1.44 -1.20 -4.33 115.22 106.26 3hwc n HIS 2105Ca -0.10 0.21 -0.01 0.00 -2.01 0.00 0.00 57.72 55.81 3hwc n HIS 2105Cb 0.30 -0.99 0.20 0.00 0.12 0.00 0.00 29.99 29.61 3hwc n HIS 2105CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3hwc h ASN 2106N 0.00 0.95 0.27 4.39 2.35 -1.28 -2.31 115.58 119.95 3hwc h ASN 2106Ca -0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3hwc h ASN 2106Cb 1.70 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.83 3hwc h ASN 2106CO 0.04 0.71 0.00 0.22 -1.65 0.00 0.00 177.43 176.75 3hwc h TYR 2107N 1.10 0.00 0.00 1.19 3.20 -1.76 -2.51 116.97 118.20 3hwc h TYR 2107Ca 0.29 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3hwc h TYR 2107Cb -0.08 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3hwc h TYR 2107CO 0.00 0.00 -0.00 1.79 -1.64 0.00 0.00 178.16 178.31 3hwc h THR 2108N 0.00 0.37 0.00 1.81 1.35 -1.67 -1.88 112.91 112.89 3hwc h THR 2108Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3hwc h THR 2108Cb 0.14 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3hwc h THR 2108CO 0.00 0.00 0.00 -0.26 -0.25 0.00 0.00 175.52 175.01 3hwc h PHE 2109N 0.00 0.00 0.00 4.73 0.04 -1.65 -2.65 116.94 117.41 3hwc h PHE 2109Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hwc h PHE 2109Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3hwc h PHE 2109CO 0.00 0.00 0.00 1.79 -0.60 0.00 0.00 178.31 179.50 3hwc h THR 2110N 0.00 0.00 -0.32 -1.55 1.35 -1.58 -2.05 112.91 108.76 3hwc h THR 2110Ca 0.00 -0.22 -0.11 0.00 -0.55 0.00 0.00 66.41 65.53 3hwc h THR 2110Cb 0.24 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3hwc h THR 2110CO 0.00 0.00 -0.25 0.71 -0.25 0.00 0.00 175.52 175.73 3hwc h THR 2111N 0.00 1.27 0.05 6.82 1.35 -1.70 -0.95 112.91 119.76 3hwc h THR 2111Ca 0.00 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 3hwc h THR 2111Cb 0.25 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 3hwc h THR 2111CO 0.00 0.43 -0.06 1.88 -0.25 0.00 0.00 175.52 177.52 3hwc h TYR 2112N 0.55 -0.16 -0.90 4.73 0.05 -1.59 -2.92 116.97 116.73 3hwc h TYR 2112Ca 0.08 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.99 3hwc h TYR 2112Cb 0.72 0.07 -0.07 0.00 1.01 0.00 0.00 36.73 38.45 3hwc h TYR 2112CO 0.03 -0.10 0.58 0.00 -1.05 0.00 0.00 178.16 177.62 3hwc h ALA 2113N 0.80 1.77 -0.18 3.88 0.00 -1.38 -1.11 119.26 123.04 3hwc h ALA 2113Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hwc h ALA 2113Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hwc h ALA 2113CO -0.03 -0.01 0.17 -0.44 0.00 0.00 0.00 179.25 178.94 3hwc h ASP 2114N 0.75 0.00 -0.34 0.00 3.32 -0.98 -3.38 116.42 115.78 3hwc h ASP 2114Ca 0.45 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.55 3hwc h ASP 2114Cb 0.66 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.04 3hwc h ASP 2114CO -0.21 0.00 -0.18 -0.62 -1.72 0.00 0.00 179.24 176.51 3hwc s ASP 2115N -6.17 -0.52 0.33 6.45 3.68 -0.52 -3.44 116.67 116.48 3hwc s ASP 2115Ca -0.05 -0.41 0.15 0.00 2.13 0.00 0.00 52.55 54.37 3hwc s ASP 2115Cb 0.16 0.67 0.56 0.00 -1.45 0.00 0.00 42.92 42.86 3hwc s ASP 2115CO 0.61 -0.04 1.70 -0.65 0.13 0.00 0.00 175.17 176.91 3hwc h PRO 2116N 5.12 0.00 -0.20 4.34 0.11 -1.47 -3.33 132.00 136.57 3hwc h PRO 2116Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hwc h PRO 2116Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3hwc h PRO 2116CO -0.06 0.48 0.13 0.93 -0.21 0.00 0.00 178.00 179.26 3hwc h GLU 2117N 0.00 0.27 -0.96 1.05 3.07 -1.94 -2.97 114.58 113.10 3hwc h GLU 2117Ca -0.00 -0.02 0.19 0.00 -0.50 0.00 0.00 59.36 59.03 3hwc h GLU 2117Cb 0.94 -0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 28.71 3hwc h GLU 2117CO 0.06 0.19 0.61 -0.39 -1.40 0.00 0.00 179.01 178.08 3hwc h VAL 2118N 0.27 0.70 -0.15 3.13 -1.51 -1.97 -0.64 116.25 116.07 3hwc h VAL 2118Ca 0.07 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 3hwc h VAL 2118Cb -0.02 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.18 3hwc h VAL 2118CO -0.02 0.11 -0.15 -0.50 -1.23 0.00 0.00 177.57 175.79 3hwc h TRP 2119N 0.60 0.25 0.03 5.19 4.06 -1.74 -1.64 115.95 122.70 3hwc h TRP 2119Ca 0.52 -0.03 -0.16 0.00 2.06 0.00 0.00 58.89 61.29 3hwc h TRP 2119Cb 1.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 3hwc h TRP 2119CO -0.00 0.38 -0.82 1.49 -3.56 0.00 0.00 178.44 175.93 3hwc h GLU 2120N 0.22 0.07 0.00 0.49 4.81 -1.28 -3.32 114.58 115.58 3hwc h GLU 2120Ca 0.04 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3hwc h GLU 2120Cb 0.40 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hwc h GLU 2120CO 0.02 1.06 0.00 0.36 -0.73 0.00 0.00 179.01 179.72 3hwc n LYS 2121N -4.37 0.30 0.00 1.92 2.85 -0.49 -1.92 118.16 116.46 3hwc n LYS 2121Ca -0.22 0.10 0.05 0.00 -1.05 0.00 0.00 58.31 57.19 3hwc n LYS 2121Cb 0.67 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.57 3hwc n LYS 2121CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3hwc n GLN 2122N -1.26 0.98 -2.34 -1.58 1.13 -0.62 -5.01 117.38 108.67 3hwc n GLN 2122Ca 0.09 -0.90 -0.38 0.00 -1.94 0.00 0.00 57.00 53.87 3hwc n GLN 2122Cb 0.15 -1.14 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 3hwc n GLN 2122CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3hwc s SER 2123N -0.97 6.67 -0.24 1.08 0.01 -0.81 -4.45 113.70 114.99 3hwc s SER 2123Ca 0.10 2.32 -0.07 0.00 1.31 0.00 0.00 55.95 59.61 3hwc s SER 2123Cb 0.08 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 3hwc s SER 2123CO 0.16 -0.57 0.07 -0.63 0.41 0.00 0.00 173.24 172.68 3hwc s ILE 2124N -1.39 4.35 -0.04 1.44 -1.09 0.70 -4.36 121.20 120.80 3hwc s ILE 2124Ca 0.55 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 3hwc s ILE 2124Cb -0.30 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3hwc s ILE 2124CO 0.38 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 3hwc n GLY 2125N 4.81 0.38 0.53 6.18 0.00 -1.26 -4.30 105.19 111.53 3hwc n GLY 2125Ca -0.16 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.04 3hwc n GLY 2125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwc n ALA 2126N -0.24 2.71 -0.40 4.61 0.00 -1.26 -4.98 120.51 120.95 3hwc n ALA 2126Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3hwc n ALA 2126Cb 0.32 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3hwc n ALA 2126CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hwc n GLU 2127N 0.24 0.00 -2.31 0.00 1.02 -1.26 -0.76 120.64 117.58 3hwc n GLU 2127Ca 0.16 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 3hwc n GLU 2127Cb 0.41 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.84 3hwc n GLU 2127CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hwc n GLY 2128N 0.00 5.63 3.82 0.62 0.00 -1.26 -5.04 105.19 108.96 3hwc n GLY 2128Ca 0.00 -2.52 -0.38 0.00 0.00 0.00 0.00 46.02 43.12 3hwc n GLY 2128CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwc s ARG 2129N -3.56 3.99 -1.25 1.61 1.81 0.06 -5.01 118.95 116.61 3hwc s ARG 2129Ca 0.47 0.45 -0.11 0.00 -1.72 0.00 0.00 55.73 54.82 3hwc s ARG 2129Cb 0.40 -3.24 0.17 0.00 -0.45 0.00 0.00 34.95 31.83 3hwc s ARG 2129CO -0.06 0.63 1.72 -1.71 -0.68 0.00 0.00 175.30 175.20 3hwc n ASN 2130N 1.99 5.17 -0.03 0.23 2.85 -1.26 -4.76 115.26 119.45 3hwc n ASN 2130Ca -0.13 -3.08 -0.05 0.00 -0.11 0.00 0.00 54.58 51.22 3hwc n ASN 2130Cb 0.52 -1.50 0.17 0.00 1.24 0.00 0.00 39.78 40.21 3hwc n ASN 2130CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3hwc h LEU 2131N 8.39 0.60 -0.87 1.20 4.07 -1.89 -2.60 115.31 124.21 3hwc h LEU 2131Ca 0.36 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.08 3hwc h LEU 2131Cb 0.71 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 3hwc h LEU 2131CO 1.49 0.80 0.25 0.74 -1.08 0.00 0.00 178.44 180.64 3hwc h THR 2132N 0.53 1.25 -0.07 0.22 2.02 -1.86 -0.72 112.91 114.29 3hwc h THR 2132Ca 0.08 -0.84 -0.10 0.00 0.77 0.00 0.00 66.41 66.33 3hwc h THR 2132Cb 0.64 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3hwc h THR 2132CO 0.05 0.33 -0.42 -0.61 0.37 0.00 0.00 175.52 175.24 3hwc h GLN 2133N 1.05 0.15 -0.92 6.66 5.75 -1.93 -2.72 115.11 123.14 3hwc h GLN 2133Ca 0.23 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3hwc h GLN 2133Cb 0.26 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 3hwc h GLN 2133CO -0.01 0.55 0.54 -0.91 -2.65 0.00 0.00 178.83 176.34 3hwc h ASN 2134N 0.13 1.13 0.81 -0.69 -0.26 -0.78 -0.07 115.58 115.85 3hwc h ASN 2134Ca 0.01 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.63 3hwc h ASN 2134Cb 0.80 -0.29 0.01 0.00 -1.06 0.00 0.00 38.32 37.78 3hwc h ASN 2134CO 0.06 0.88 -0.39 0.40 -1.06 0.00 0.00 177.43 177.33 3hwc h ILE 2135N 1.28 0.00 -1.00 2.81 2.04 -1.01 -2.20 117.51 119.43 3hwc h ILE 2135Ca 0.33 -0.02 0.21 0.00 1.00 0.00 0.00 64.86 66.38 3hwc h ILE 2135Cb -0.02 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.94 3hwc h ILE 2135CO -0.06 0.00 0.60 0.45 0.00 0.00 0.00 178.15 179.14 3hwc h HIS 2136N -1.11 1.04 -0.19 1.37 3.86 -1.38 -1.25 115.15 117.49 3hwc h HIS 2136Ca -0.11 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 3hwc h HIS 2136Cb 0.83 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 3hwc h HIS 2136CO 0.04 0.16 0.05 -0.91 0.86 0.00 0.00 177.93 178.13 3hwc h ASN 2137N 0.68 0.29 -0.43 2.45 -0.26 -0.92 -2.58 115.58 114.81 3hwc h ASN 2137Ca 0.61 -0.22 -0.14 0.00 -0.56 0.00 0.00 56.30 55.98 3hwc h ASN 2137Cb 1.04 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 3hwc h ASN 2137CO -0.43 0.43 -0.29 0.15 -1.06 0.00 0.00 177.43 176.23 3hwc h PHE 2138N 0.13 1.13 -0.97 1.19 3.57 -0.69 -1.79 116.94 119.51 3hwc h PHE 2138Ca 0.06 -0.30 0.10 0.00 3.53 0.00 0.00 57.97 61.36 3hwc h PHE 2138Cb 0.26 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 3hwc h PHE 2138CO 0.01 1.13 0.62 -0.07 -2.23 0.00 0.00 178.31 177.77 3hwc h LEU 2139N 0.81 0.92 -0.13 0.59 3.38 -1.23 0.70 115.31 120.34 3hwc h LEU 2139Ca 0.09 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hwc h LEU 2139Cb 0.88 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hwc h LEU 2139CO 0.08 0.53 -0.15 0.50 0.09 0.00 0.00 178.44 179.49 3hwc h LYS 2140N 1.01 0.34 0.19 1.13 3.64 -1.24 -2.26 116.57 119.37 3hwc h LYS 2140Ca 0.46 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3hwc h LYS 2140Cb 0.39 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hwc h LYS 2140CO -0.21 0.74 -0.09 1.25 -2.27 0.00 0.00 179.45 178.87 3hwc h LEU 2141N -0.05 -0.22 -0.41 5.20 5.85 -0.63 0.13 115.31 125.18 3hwc h LEU 2141Ca 0.02 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.79 3hwc h LEU 2141Cb 0.69 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 3hwc h LEU 2141CO 0.04 -0.11 -0.29 0.25 -0.34 0.00 0.00 178.44 177.99 3hwc h LEU 2142N -0.30 -0.95 0.23 2.25 5.85 0.34 0.14 115.31 122.87 3hwc h LEU 2142Ca -0.03 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3hwc h LEU 2142Cb 0.23 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3hwc h LEU 2142CO 0.04 -0.29 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.65 3hwc h ARG 2143N -0.21 -0.30 -0.01 1.25 2.43 -1.30 -0.02 114.38 116.23 3hwc h ARG 2143Ca 0.19 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 3hwc h ARG 2143Cb 0.51 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3hwc h ARG 2143CO -0.53 0.01 -0.66 0.93 -1.51 0.00 0.00 179.97 178.21 3hwc h GLU 2144N -0.64 0.03 -0.02 0.20 5.08 -0.54 -2.13 114.58 116.55 3hwc h GLU 2144Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hwc h GLU 2144Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3hwc h GLU 2144CO 0.05 0.68 0.00 1.63 -1.00 0.00 0.00 179.01 180.37 3hwc n LYS 2145N -3.76 1.84 -3.69 2.33 5.02 0.46 -4.96 118.16 115.39 3hwc n LYS 2145Ca -0.01 -1.21 -0.21 0.00 -2.02 0.00 0.00 58.31 54.85 3hwc n LYS 2145Cb 0.65 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.22 3hwc n LYS 2145CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hwc n ASP 2146N 0.48 -1.20 -4.88 4.39 4.64 -0.69 -4.84 116.55 114.44 3hwc n ASP 2146Ca 0.18 -0.81 -0.30 0.00 -1.38 0.00 0.00 54.79 52.47 3hwc n ASP 2146Cb 0.42 -4.09 0.02 0.00 -1.04 0.00 0.00 41.12 36.43 3hwc n ASP 2146CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3hwc s LEU 2147N -6.67 3.17 -0.26 -2.67 1.02 -0.11 -4.85 118.68 108.32 3hwc s LEU 2147Ca 0.01 1.20 -0.03 0.00 0.02 0.00 0.00 54.13 55.33 3hwc s LEU 2147Cb -0.00 -4.14 0.02 0.00 0.02 0.00 0.00 46.19 42.09 3hwc s LEU 2147CO 0.81 -1.01 -0.03 0.21 0.02 0.00 0.00 176.35 176.35 3hwc s ASN 2148N -4.24 4.49 -0.60 2.29 2.47 -1.26 -4.93 114.94 113.15 3hwc s ASN 2148Ca 0.55 -0.84 0.05 0.00 0.42 0.00 0.00 52.86 53.04 3hwc s ASN 2148Cb -0.11 -1.71 0.17 0.00 -1.45 0.00 0.00 41.25 38.15 3hwc s ASN 2148CO 0.51 -0.14 0.44 0.00 -3.72 0.00 0.00 177.10 174.19 3hwc n PRO 2150N 2.30 1.00 -2.75 0.00 -0.02 -1.24 -4.45 135.00 129.85 3hwc n PRO 2150Ca 0.22 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 3hwc n PRO 2150Cb 0.39 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 3hwc n PRO 2150CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hwc s LEU 2151N -2.64 4.59 -0.49 2.45 1.43 -1.26 -0.30 118.68 122.47 3hwc s LEU 2151Ca 0.77 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.82 3hwc s LEU 2151Cb -0.41 -3.59 0.23 0.00 0.03 0.00 0.00 46.19 42.45 3hwc s LEU 2151CO 0.46 0.07 0.55 -3.20 0.23 0.00 0.00 176.35 174.46 3hwc n ASN 2152N 1.99 1.27 -0.02 2.29 2.85 0.22 -4.24 115.26 119.62 3hwc n ASN 2152Ca -0.00 -2.89 0.02 0.00 -0.11 0.00 0.00 54.58 51.60 3hwc n ASN 2152Cb 0.48 -0.64 -0.09 0.00 1.24 0.00 0.00 39.78 40.76 3hwc n ASN 2152CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hwc n PHE 2153N 1.53 0.00 -2.57 1.20 3.01 -1.26 -2.74 117.46 116.64 3hwc n PHE 2153Ca 0.25 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.29 3hwc n PHE 2153Cb 0.47 -0.37 -0.03 0.00 -0.01 0.00 0.00 39.48 39.54 3hwc n PHE 2153CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hwc s VAL 2154N -2.67 4.39 0.26 -4.37 1.01 -1.26 -4.17 120.40 113.59 3hwc s VAL 2154Ca -0.05 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3hwc s VAL 2154Cb 0.06 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3hwc s VAL 2154CO 0.50 0.16 0.44 -1.81 0.00 0.00 0.00 175.10 174.39 3hwc s ASP 2155N 0.86 6.34 0.92 3.32 -0.00 -1.26 -1.48 116.67 125.37 3hwc s ASP 2155Ca 0.54 0.35 -0.12 0.00 -0.00 0.00 0.00 52.55 53.33 3hwc s ASP 2155Cb -0.26 -1.99 0.09 0.00 -0.00 0.00 0.00 42.92 40.76 3hwc s ASP 2155CO 0.29 -0.14 0.81 -2.65 -0.00 0.00 0.00 175.17 173.48 3hwc n PRO 2156N -1.20 -0.30 0.00 8.23 -0.02 -1.26 -4.70 135.00 135.74 3hwc n PRO 2156Ca -0.06 -0.03 0.02 0.00 -2.02 0.00 0.00 63.50 61.41 3hwc n PRO 2156Cb 0.55 -2.14 0.08 0.00 -0.02 0.00 0.00 33.50 31.98 3hwc n PRO 2156CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hwc n GLN 2157N -2.92 0.03 -2.18 -0.52 6.02 -1.26 -4.93 117.38 111.62 3hwc n GLN 2157Ca 0.10 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 3hwc n GLN 2157Cb 0.52 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.28 3hwc n GLN 2157CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3hwc n THR 2158N -1.37-11.98 -1.15 5.09 -1.04 -1.26 -4.68 114.28 97.89 3hwc n THR 2158Ca 0.01 2.94 -0.47 0.00 -2.04 0.00 0.00 64.05 64.49 3hwc n THR 2158Cb 0.03 -5.25 -0.08 0.00 -1.82 0.00 0.00 70.33 63.21 3hwc n THR 2158CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3hwc n ASP 2159N 1.90 0.76 -3.02 8.00 4.64 -1.26 -4.83 116.55 122.74 3hwc n ASP 2159Ca 0.00 0.74 -0.40 0.00 -1.38 0.00 0.00 54.79 53.74 3hwc n ASP 2159Cb 0.00 -0.65 0.04 0.00 -1.04 0.00 0.00 41.12 39.47 3hwc n ASP 2159CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hwc n ARG 2160N 3.82 3.14 0.00 -0.67 1.74 -1.26 -4.33 116.66 119.10 3hwc n ARG 2160Ca 0.29 -3.69 0.00 0.00 -0.77 0.00 0.00 57.85 53.68 3hwc n ARG 2160Cb -0.04 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.10 3hwc n ARG 2160CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hwc n SER 2161N -0.47 0.00 -3.68 0.55 2.88 -1.26 -5.15 113.62 106.49 3hwc n SER 2161Ca 0.53 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.80 3hwc n SER 2161Cb 0.24 0.05 0.20 0.00 -0.75 0.00 0.00 64.21 63.94 3hwc n SER 2161CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3hwc n SER 2162N -1.63 -0.53 -4.56 -3.46 7.64 -1.26 -4.95 113.62 104.87 3hwc n SER 2162Ca 0.00 -1.35 -0.41 0.00 1.01 0.00 0.00 58.87 58.12 3hwc n SER 2162Cb 0.00 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 3hwc n SER 2162CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hwc s ASP 2163N -5.14 6.09 0.59 6.43 3.68 -1.26 -4.88 116.67 122.18 3hwc s ASP 2163Ca 0.69 -0.01 0.29 0.00 2.13 0.00 0.00 52.55 55.65 3hwc s ASP 2163Cb -0.03 -2.55 1.46 0.00 -1.45 0.00 0.00 42.92 40.34 3hwc s ASP 2163CO 0.49 -1.80 1.87 0.00 0.13 0.00 0.00 175.17 175.87 3hwc h ALA 2164N 10.88 2.24 0.00 3.66 0.00 -1.92 0.14 119.26 134.26 3hwc h ALA 2164Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hwc h ALA 2164Cb 1.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hwc h ALA 2164CO 1.22 -0.78 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3hwc h ALA 2165N 1.42 1.00 -2.04 0.00 0.00 -1.95 -3.19 119.26 114.50 3hwc h ALA 2165Ca 0.24 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.44 3hwc h ALA 2165Cb 1.28 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.72 3hwc h ALA 2165CO -0.00 0.00 0.10 1.04 0.00 0.00 0.00 179.25 180.38 3hwc n GLN 2166N -2.64 3.55 -2.58 0.00 1.13 0.48 -5.00 117.38 112.33 3hwc n GLN 2166Ca -0.01 -4.63 -0.42 0.00 -1.94 0.00 0.00 57.00 50.00 3hwc n GLN 2166Cb 0.13 -2.38 -0.01 0.00 0.11 0.00 0.00 30.24 28.09 3hwc n GLN 2166CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hwc s ALA 2167N -2.72 3.05 -0.20 -1.58 0.00 -1.21 -4.91 121.76 114.18 3hwc s ALA 2167Ca 0.36 -2.63 -0.02 0.00 0.00 0.00 0.00 51.96 49.67 3hwc s ALA 2167Cb 0.11 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.64 3hwc s ALA 2167CO 0.04 -3.44 -0.09 0.50 0.00 0.00 0.00 175.76 172.77 3hwc s ARG 2168N 4.52 3.26 0.53 0.00 3.52 -1.26 -5.03 118.95 124.49 3hwc s ARG 2168Ca 0.50 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3hwc s ARG 2168Cb 0.02 -2.86 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3hwc s ARG 2168CO -0.00 -0.19 0.00 -1.13 -0.81 0.00 0.00 175.30 173.17 3hwc n SER 2169N 4.70 -7.14 -0.98 -2.12 3.41 -1.26 -4.93 113.62 105.31 3hwc n SER 2169Ca -0.19 1.49 0.12 0.00 -0.26 0.00 0.00 58.87 60.03 3hwc n SER 2169Cb 0.51 -4.31 0.24 0.00 -0.26 0.00 0.00 64.21 60.39 3hwc n SER 2169CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3hwc n PRO 2170N -3.13 2.29 -1.70 4.33 -0.05 -1.26 -4.86 135.00 130.62 3hwc n PRO 2170Ca -0.04 -1.93 -0.38 0.00 -0.05 0.00 0.00 63.50 61.10 3hwc n PRO 2170Cb 0.50 -1.48 0.05 0.00 -0.05 0.00 0.00 33.50 32.51 3hwc n PRO 2170CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3hwc n ASN 2171N 1.17 1.99 -4.72 3.54 4.13 -1.26 -1.04 115.26 119.07 3hwc n ASN 2171Ca 0.18 0.92 -0.42 0.00 1.68 0.00 0.00 54.58 56.94 3hwc n ASN 2171Cb 0.54 -1.51 -0.03 0.00 -1.54 0.00 0.00 39.78 37.24 3hwc n ASN 2171CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3hwc s LEU 2172N -2.93 4.38 0.03 3.41 2.96 -1.16 -4.31 118.68 121.05 3hwc s LEU 2172Ca 0.73 2.28 -0.07 0.00 -0.22 0.00 0.00 54.13 56.86 3hwc s LEU 2172Cb -0.43 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.67 3hwc s LEU 2172CO 0.48 -0.60 0.14 0.00 -1.32 0.00 0.00 176.35 175.04 3hwc s ARG 2173N 0.94 0.59 -0.26 1.98 1.70 -0.30 -4.49 118.95 119.11 3hwc s ARG 2173Ca 0.63 -0.62 -0.29 0.00 -0.47 0.00 0.00 55.73 54.97 3hwc s ARG 2173Cb -0.36 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.26 3hwc s ARG 2173CO 0.31 -0.15 1.37 0.42 -1.08 0.00 0.00 175.30 176.16 3hwc s ILE 2174N -2.26 4.06 -2.09 4.99 1.01 0.10 -0.83 121.20 126.17 3hwc s ILE 2174Ca -0.08 1.21 0.22 0.00 0.00 0.00 0.00 60.65 62.00 3hwc s ILE 2174Cb -0.03 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.44 3hwc s ILE 2174CO -0.03 -0.39 1.07 1.33 0.00 0.00 0.00 174.94 176.93 3hwc n VAL 2175N 6.13 0.00 0.00 2.92 0.24 0.26 -4.93 118.33 122.95 3hwc n VAL 2175Ca 0.15 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 3hwc n VAL 2175Cb 0.46 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3hwc n VAL 2175CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3hwc n GLU 2176N 0.20 0.00 -4.13 7.34 2.13 -1.22 -4.99 120.64 119.97 3hwc n GLU 2176Ca 0.10 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.63 3hwc n GLU 2176Cb 0.47 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.10 3hwc n GLU 2176CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3hwc s LYS 2177N -0.53 2.58 0.00 5.31 1.02 -1.26 0.13 119.74 126.98 3hwc s LYS 2177Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.10 3hwc s LYS 2177Cb 0.00 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3hwc s LYS 2177CO 0.00 0.52 0.00 0.25 -0.92 0.00 0.00 175.35 175.20 3hwc n THR 2178N 0.31 0.00 0.37 2.17 -2.24 0.79 -4.99 114.28 110.69 3hwc n THR 2178Ca -0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 3hwc n THR 2178Cb 0.53 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.99 3hwc n THR 2178CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwc h ASP 2179N 0.00 0.00 0.38 3.42 3.45 -2.03 -3.32 116.42 118.33 3hwc h ASP 2179Ca 0.00 -0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.31 3hwc h ASP 2179Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3hwc h ASP 2179CO 0.00 0.01 -1.74 0.47 -1.57 0.00 0.00 179.24 176.41 3hwc n ASP 2180N -2.71 0.42 0.00 6.45 8.00 -1.26 -4.95 116.55 122.50 3hwc n ASP 2180Ca 0.04 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3hwc n ASP 2180Cb 0.49 0.93 0.00 0.00 -0.02 0.00 0.00 41.12 42.53 3hwc n ASP 2180CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hwc n GLY 2181N 1.40 -0.55 3.45 0.44 0.00 -1.25 -1.95 105.19 106.72 3hwc n GLY 2181Ca -0.11 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 3hwc n GLY 2181CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hwc s ILE 2182N -3.39 2.42 -0.13 -0.61 -4.36 0.18 -0.15 121.20 115.16 3hwc s ILE 2182Ca 0.00 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.17 3hwc s ILE 2182Cb 0.00 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 3hwc s ILE 2182CO 0.00 -0.26 -0.12 -0.63 0.24 0.00 0.00 174.94 174.17 3hwc s ILE 2183N -2.08 3.12 0.05 8.37 1.09 0.12 -0.06 121.20 131.81 3hwc s ILE 2183Ca 0.25 -0.64 0.09 0.00 -1.10 0.00 0.00 60.65 59.25 3hwc s ILE 2183Cb -0.06 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 39.00 3hwc s ILE 2183CO 0.12 0.53 -0.25 0.68 -0.10 0.00 0.00 174.94 175.92 3hwc s VAL 2184N 0.27 2.01 -0.02 2.92 -7.23 -0.48 -0.57 120.40 117.31 3hwc s VAL 2184Ca -0.09 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3hwc s VAL 2184Cb -0.15 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.08 3hwc s VAL 2184CO 0.05 0.32 -0.01 0.21 -0.31 0.00 0.00 175.10 175.36 3hwc s ASN 2185N -1.23 0.38 0.00 4.85 3.84 -0.01 -1.33 114.94 121.44 3hwc s ASN 2185Ca 0.11 -0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.14 3hwc s ASN 2185Cb -0.10 -0.14 0.00 0.00 -0.55 0.00 0.00 41.25 40.46 3hwc s ASN 2185CO 0.02 -0.04 0.00 0.61 -2.79 0.00 0.00 177.10 174.90 3hwc n GLY 2186N 3.63 0.89 3.22 1.21 0.00 -0.67 -1.15 105.19 112.32 3hwc n GLY 2186Ca -0.21 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 3hwc n GLY 2186CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hwc s VAL 2187N -2.29 1.13 -0.24 1.61 -7.23 -0.21 0.35 120.40 113.52 3hwc s VAL 2187Ca 0.00 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 3hwc s VAL 2187Cb 0.00 -1.54 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 3hwc s VAL 2187CO 0.00 -0.56 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.67 3hwc s LYS 2188N -2.98 3.27 0.50 4.82 -0.14 0.09 -2.99 119.74 122.30 3hwc s LYS 2188Ca 0.09 -0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 53.84 3hwc s LYS 2188Cb -0.02 -3.07 -0.08 0.00 -1.68 0.00 0.00 37.83 32.98 3hwc s LYS 2188CO 0.01 -0.26 0.96 0.00 -0.76 0.00 0.00 175.35 175.30 3hwc s ALA 2189N 1.46 3.10 -0.01 5.17 0.00 -0.55 -0.71 121.76 130.23 3hwc s ALA 2189Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 3hwc s ALA 2189Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3hwc s ALA 2189CO -0.02 -0.20 0.01 0.28 0.00 0.00 0.00 175.76 175.82 3hwc n VAL 2190N -1.53 -1.79 -4.25 0.00 0.31 -1.16 -4.12 118.33 105.79 3hwc n VAL 2190Ca 0.06 0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 64.44 3hwc n VAL 2190Cb 0.54 -2.81 -0.15 0.00 -0.91 0.00 0.00 33.84 30.51 3hwc n VAL 2190CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3hwc s GLY 2191N -0.25 0.40 -0.18 2.92 0.00 0.66 -4.33 107.32 106.54 3hwc s GLY 2191Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 44.72 44.42 3hwc s GLY 2191CO 0.04 -0.02 0.04 -1.59 0.00 0.00 0.00 173.10 171.57 3hwc s THR 2192N 0.21 4.54 -0.69 0.90 2.01 -1.26 -0.30 115.64 121.06 3hwc s THR 2192Ca -0.03 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.85 3hwc s THR 2192Cb -0.07 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.40 3hwc s THR 2192CO -0.00 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3hwc n GLY 2193N 3.65 0.84 0.37 4.40 0.00 -0.45 -4.57 105.19 109.43 3hwc n GLY 2193Ca -0.17 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.48 3hwc n GLY 2193CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hwc h ILE 2194N 0.00 1.09 0.00 -0.61 1.08 -1.80 -1.75 117.51 115.52 3hwc h ILE 2194Ca -0.13 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3hwc h ILE 2194Cb 0.57 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3hwc h ILE 2194CO 0.19 0.22 0.00 0.00 -0.69 0.00 0.00 178.15 177.87 3hwc n ALA 2195N -2.36 1.86 0.37 1.87 0.00 -1.26 -3.12 120.51 117.87 3hwc n ALA 2195Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.67 3hwc n ALA 2195Cb 0.18 -1.37 0.09 0.00 0.00 0.00 0.00 19.45 18.35 3hwc n ALA 2195CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hwc n PHE 2196N -1.93 0.15 -2.86 0.00 3.72 -0.67 -4.96 117.46 110.91 3hwc n PHE 2196Ca 0.04 -0.13 -0.22 0.00 -0.05 0.00 0.00 57.45 57.09 3hwc n PHE 2196Cb 0.26 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.82 3hwc n PHE 2196CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hwc s GLY 2197N -1.11 1.68 -0.13 1.37 0.00 -1.12 -4.98 107.32 103.02 3hwc s GLY 2197Ca 0.19 -1.19 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 3hwc s GLY 2197CO 0.18 -0.97 0.54 -0.55 0.00 0.00 0.00 173.10 172.30 3hwc h ASP 2198N 0.28 0.23 -1.97 1.64 3.32 -0.65 -3.44 116.42 115.84 3hwc h ASP 2198Ca -0.44 -0.81 -0.60 0.00 0.02 0.00 0.00 57.03 55.20 3hwc h ASP 2198Cb 1.27 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 3hwc h ASP 2198CO 0.55 1.47 -0.62 -0.31 -1.72 0.00 0.00 179.24 178.60 3hwc s TYR 2199N -2.40 2.40 -0.01 4.55 1.51 -1.13 -1.12 117.35 121.15 3hwc s TYR 2199Ca -0.21 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.26 3hwc s TYR 2199Cb 0.03 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.26 3hwc s TYR 2199CO 0.72 0.42 -0.24 0.00 -1.11 0.00 0.00 175.55 175.34 3hwc s MET 2200N -3.71 2.11 -0.88 -0.62 0.23 -0.29 -3.61 119.30 112.52 3hwc s MET 2200Ca 0.34 -0.93 -0.16 0.00 -1.03 0.00 0.00 55.69 53.91 3hwc s MET 2200Cb 0.08 -2.09 0.18 0.00 -1.53 0.00 0.00 34.83 31.46 3hwc s MET 2200CO 0.17 0.56 0.95 -1.58 -2.03 0.00 0.00 175.02 173.09 3hwc s HIS 2201N -0.69 3.46 -0.00 3.16 2.46 0.59 -2.63 115.29 121.64 3hwc s HIS 2201Ca 0.11 -1.72 -0.30 0.00 0.47 0.00 0.00 55.06 53.62 3hwc s HIS 2201Cb -0.10 -4.04 -0.04 0.00 -0.13 0.00 0.00 32.58 28.27 3hwc s HIS 2201CO 0.00 -1.23 1.12 0.42 -2.47 0.00 0.00 174.74 172.58 3hwc s ILE 2202N 1.35 4.40 0.02 0.89 1.01 0.37 -0.61 121.20 128.64 3hwc s ILE 2202Ca 0.25 1.72 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 3hwc s ILE 2202Cb -0.07 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3hwc s ILE 2202CO -0.09 0.08 0.05 0.61 0.00 0.00 0.00 174.94 175.59 3hwc n GLY 2203N 3.16 2.10 3.42 6.18 0.00 -1.11 -1.05 105.19 117.88 3hwc n GLY 2203Ca 0.09 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3hwc n GLY 2203CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwc s LEU 2205N -2.49 3.29 0.46 0.00 2.01 -1.26 -4.70 118.68 115.99 3hwc s LEU 2205Ca -0.01 0.02 -0.25 0.00 0.01 0.00 0.00 54.13 53.90 3hwc s LEU 2205Cb -0.00 -1.73 -0.08 0.00 0.01 0.00 0.00 46.19 44.38 3hwc s LEU 2205CO -0.09 0.35 1.43 -0.47 1.01 0.00 0.00 176.35 178.59 3hwc s TYR 2206N -0.75 2.43 -0.01 0.29 6.14 -1.09 -5.03 117.35 119.33 3hwc s TYR 2206Ca 0.11 1.25 -0.03 0.00 0.64 0.00 0.00 57.07 59.05 3hwc s TYR 2206Cb -0.11 -3.94 0.00 0.00 0.42 0.00 0.00 41.96 38.33 3hwc s TYR 2206CO 0.02 -3.00 0.07 -0.98 0.64 0.00 0.00 175.55 172.30 3hwc s ARG 2207N -2.47 0.22 0.22 4.97 1.70 -1.26 -5.03 118.95 117.29 3hwc s ARG 2207Ca 0.61 -0.15 -0.31 0.00 -0.47 0.00 0.00 55.73 55.41 3hwc s ARG 2207Cb -0.44 0.09 -0.14 0.00 -0.57 0.00 0.00 34.95 33.89 3hwc s ARG 2207CO 0.57 -0.04 1.27 -2.30 -1.08 0.00 0.00 175.30 173.72 3hwc n PRO 2208N 2.40 1.64 -1.08 3.89 -0.02 -1.26 -1.47 135.00 139.10 3hwc n PRO 2208Ca -0.17 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 61.86 3hwc n PRO 2208Cb 0.58 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 3hwc n PRO 2208CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwc n GLY 2209N 1.96 0.60 3.68 -1.23 0.00 -1.26 -5.00 105.19 103.94 3hwc n GLY 2209Ca 0.12 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3hwc n GLY 2209CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hwc s ILE 2210N -2.10 3.80 0.00 -0.61 2.07 -0.54 -4.95 121.20 118.87 3hwc s ILE 2210Ca 0.00 1.10 0.00 0.00 -1.41 0.00 0.00 60.65 60.34 3hwc s ILE 2210Cb 0.00 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.88 3hwc s ILE 2210CO 0.00 -0.04 0.97 -2.65 -1.91 0.00 0.00 174.94 171.31 3hwc n PRO 2211N 5.98 0.00 0.00 3.50 -0.02 -1.26 -4.80 135.00 138.40 3hwc n PRO 2211Ca 0.14 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3hwc n PRO 2211Cb 0.44 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 3hwc n PRO 2211CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwc n GLY 2212N -0.99 3.61 0.00 -1.23 0.00 -1.26 -4.85 105.19 100.47 3hwc n GLY 2212Ca 0.00 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.56 3hwc n GLY 2212CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hwc n GLU 2213N 0.00 0.79 -0.00 1.61 4.71 -1.26 -2.94 120.64 123.54 3hwc n GLU 2213Ca 0.00 0.01 0.07 0.00 -0.01 0.00 0.00 57.16 57.23 3hwc n GLU 2213Cb 0.00 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.83 3hwc n GLU 2213CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3hwc n GLN 2214N -1.04 1.26 -2.38 3.49 6.02 -1.26 0.02 117.38 123.48 3hwc n GLN 2214Ca 0.19 -0.08 -0.38 0.00 -0.01 0.00 0.00 57.00 56.73 3hwc n GLN 2214Cb 0.11 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 3hwc n GLN 2214CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hwc s VAL 2215N -2.72 3.69 -0.07 5.09 1.01 -1.15 -4.89 120.40 121.35 3hwc s VAL 2215Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3hwc s VAL 2215Cb 0.10 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.84 3hwc s VAL 2215CO 0.60 -1.58 -0.09 -0.63 0.00 0.00 0.00 175.10 173.39 3hwc s ILE 2216N 6.76 0.99 -0.15 2.22 1.01 -1.26 -1.81 121.20 128.96 3hwc s ILE 2216Ca 0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 3hwc s ILE 2216Cb -0.06 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3hwc s ILE 2216CO 0.04 0.33 -0.09 -0.36 0.00 0.00 0.00 174.94 174.86 3hwc s PHE 2217N 0.98 1.82 0.28 3.97 0.40 -0.34 -3.56 117.98 121.53 3hwc s PHE 2217Ca -0.09 -1.05 -0.20 0.00 -0.60 0.00 0.00 56.93 54.99 3hwc s PHE 2217Cb -0.15 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.01 3hwc s PHE 2217CO 0.00 -0.61 0.71 0.00 0.70 0.00 0.00 175.22 176.02 3hwc s ALA 2218N 1.60 -1.14 -0.12 5.36 0.00 -0.21 -0.02 121.76 127.22 3hwc s ALA 2218Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 3hwc s ALA 2218Cb -0.14 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.88 3hwc s ALA 2218CO -0.09 -1.03 0.05 0.00 0.00 0.00 0.00 175.76 174.70 3hwc s ALA 2219N -3.85 0.57 0.08 0.00 0.00 -0.86 -0.48 121.76 117.22 3hwc s ALA 2219Ca 0.12 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.92 3hwc s ALA 2219Cb -0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3hwc s ALA 2219CO 0.07 -0.84 -0.18 0.96 0.00 0.00 0.00 175.76 175.77 3hwc s ILE 2220N 2.05 1.49 0.54 0.00 -4.36 -1.08 -4.81 121.20 115.02 3hwc s ILE 2220Ca 0.03 -1.35 -0.20 0.00 -0.26 0.00 0.00 60.65 58.87 3hwc s ILE 2220Cb -0.14 -1.35 -0.07 0.00 1.25 0.00 0.00 42.46 42.14 3hwc s ILE 2220CO -0.06 -0.04 0.91 -2.65 0.24 0.00 0.00 174.94 173.34 3hwc n PRO 2221N 1.39 0.99 0.03 0.37 -0.02 -1.26 -1.14 135.00 135.35 3hwc n PRO 2221Ca -0.19 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 3hwc n PRO 2221Cb 0.54 -2.05 0.42 0.00 -0.02 0.00 0.00 33.50 32.39 3hwc n PRO 2221CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3hwc h THR 2222N 0.80 1.11 -0.39 3.45 2.02 -1.41 -2.55 112.91 115.94 3hwc h THR 2222Ca -0.47 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3hwc h THR 2222Cb 1.36 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 3hwc h THR 2222CO 0.52 0.12 0.00 -0.46 0.37 0.00 0.00 175.52 176.08 3hwc n ASN 2223N -4.44 3.85 -4.66 4.18 2.04 -1.26 -4.81 115.26 110.16 3hwc n ASN 2223Ca 0.02 -2.51 -0.49 0.00 -0.44 0.00 0.00 54.58 51.17 3hwc n ASN 2223Cb 0.10 -0.57 -0.05 0.00 -2.53 0.00 0.00 39.78 36.72 3hwc n ASN 2223CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 3hwc n THR 2224N 0.49 0.17 -1.69 5.53 -1.04 -0.96 -4.83 114.28 111.95 3hwc n THR 2224Ca 0.18 -0.03 -0.44 0.00 -2.04 0.00 0.00 64.05 61.71 3hwc n THR 2224Cb 0.79 -1.45 -0.04 0.00 -1.82 0.00 0.00 70.33 67.82 3hwc n THR 2224CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hwc n PRO 2225N 4.20 2.43 0.00 -2.82 -0.02 -1.26 -2.18 135.00 135.35 3hwc n PRO 2225Ca 0.19 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3hwc n PRO 2225Cb 0.26 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 3hwc n PRO 2225CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwc n GLY 2226N 3.69 0.51 3.69 -1.23 0.00 -1.26 -4.53 105.19 106.04 3hwc n GLY 2226Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hwc n GLY 2226CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwc s VAL 2227N -2.00 5.19 -0.12 1.61 1.01 -0.93 -0.07 120.40 125.09 3hwc s VAL 2227Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3hwc s VAL 2227Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.03 3hwc s VAL 2227CO 0.00 0.43 -0.14 -0.89 0.00 0.00 0.00 175.10 174.51 3hwc s THR 2228N 0.48 1.42 -0.40 3.92 2.01 -0.45 -4.41 115.64 118.21 3hwc s THR 2228Ca 0.06 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.30 3hwc s THR 2228Cb -0.12 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.08 3hwc s THR 2228CO -0.00 0.43 0.55 -0.69 -0.69 0.00 0.00 174.62 174.21 3hwc s VAL 2229N 1.23 4.96 -0.45 3.82 1.01 -0.76 -0.99 120.40 129.22 3hwc s VAL 2229Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 3hwc s VAL 2229Cb -0.14 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.21 3hwc s VAL 2229CO -0.05 -0.43 0.39 -0.36 0.00 0.00 0.00 175.10 174.65 3hwc s PHE 2230N 2.50 3.22 0.15 5.22 0.08 -0.42 -0.56 117.98 128.17 3hwc s PHE 2230Ca 0.19 -0.75 -0.09 0.00 0.12 0.00 0.00 56.93 56.40 3hwc s PHE 2230Cb -0.15 -3.00 -0.06 0.00 -0.57 0.00 0.00 43.02 39.24 3hwc s PHE 2230CO 0.16 -0.74 0.46 0.00 -0.10 0.00 0.00 175.22 174.99 3hwc n ARG 2232N 0.36 -2.49 -2.28 0.00 1.85 -0.92 -1.25 116.66 111.94 3hwc n ARG 2232Ca -0.04 -0.70 -0.34 0.00 -1.00 0.00 0.00 57.85 55.77 3hwc n ARG 2232Cb 0.52 -2.17 -0.00 0.00 -1.05 0.00 0.00 32.46 29.76 3hwc n ARG 2232CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 3hwc s GLU 2233N -4.40 3.42 0.05 2.89 -1.05 -1.26 -3.84 118.70 114.51 3hwc s GLU 2233Ca 0.69 1.51 -0.20 0.00 -0.15 0.00 0.00 54.97 56.82 3hwc s GLU 2233Cb -0.26 -2.03 -0.06 0.00 -0.44 0.00 0.00 34.13 31.35 3hwc s GLU 2233CO 0.65 -0.77 0.59 0.45 0.95 0.00 0.00 175.26 177.13 3hwc s SER 2234N -1.95 7.05 -0.28 0.83 0.15 -1.26 -4.97 113.70 113.27 3hwc s SER 2234Ca 0.70 1.24 0.10 0.00 0.70 0.00 0.00 55.95 58.70 3hwc s SER 2234Cb -0.21 -2.37 0.55 0.00 -1.71 0.00 0.00 66.02 62.28 3hwc s SER 2234CO 0.27 0.22 1.54 0.35 1.20 0.00 0.00 173.24 176.81 3hwc n THR 2235N 2.04 2.59 -2.49 6.45 -2.24 -1.26 -5.01 114.28 114.36 3hwc n THR 2235Ca -0.09 -2.33 -0.41 0.00 -2.27 0.00 0.00 64.05 58.95 3hwc n THR 2235Cb 0.51 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3hwc n THR 2235CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hwc s VAL 2236N -3.12 3.94 0.34 2.28 -7.23 -1.26 -4.39 120.40 110.95 3hwc s VAL 2236Ca 0.46 1.58 -0.15 0.00 -1.81 0.00 0.00 61.98 62.07 3hwc s VAL 2236Cb 0.40 -4.01 -0.09 0.00 0.56 0.00 0.00 36.38 33.25 3hwc s VAL 2236CO 0.05 0.23 0.75 -0.54 -0.31 0.00 0.00 175.10 175.27 3hwc s LYS 2237N 0.05 3.98 0.00 4.82 -0.14 -1.10 -4.95 119.74 122.40 3hwc s LYS 2237Ca 0.52 0.66 0.22 0.00 -1.36 0.00 0.00 55.97 56.01 3hwc s LYS 2237Cb -0.29 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.37 3hwc s LYS 2237CO 0.33 0.12 1.01 0.27 -0.76 0.00 0.00 175.35 176.33 3hwc n ASN 2238N -0.51 0.97 -4.12 2.83 2.04 -1.26 -4.19 115.26 111.02 3hwc n ASN 2238Ca 0.04 -0.89 -0.37 0.00 -0.44 0.00 0.00 54.58 52.92 3hwc n ASN 2238Cb 0.53 0.82 -0.11 0.00 -2.53 0.00 0.00 39.78 38.50 3hwc n ASN 2238CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3hwc s ASP 2239N -2.96 5.28 0.41 0.53 3.68 -1.26 -4.95 116.67 117.39 3hwc s ASP 2239Ca 0.09 -2.29 0.08 0.00 2.13 0.00 0.00 52.55 52.57 3hwc s ASP 2239Cb 0.16 -1.85 0.88 0.00 -1.45 0.00 0.00 42.92 40.67 3hwc s ASP 2239CO 0.82 -0.50 2.03 -0.65 0.13 0.00 0.00 175.17 177.00 3hwc h PRO 2240N 7.75 0.53 -0.79 4.34 0.11 -1.86 -0.84 132.00 141.25 3hwc h PRO 2240Ca -0.10 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3hwc h PRO 2240Cb 1.02 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 3hwc h PRO 2240CO 0.71 0.35 0.37 0.00 -0.21 0.00 0.00 178.00 179.22 3hwc h ALA 2241N 1.72 1.01 0.00 -0.75 0.00 -1.97 -2.92 119.26 116.35 3hwc h ALA 2241Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hwc h ALA 2241Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hwc h ALA 2241CO -0.05 0.59 -0.96 0.93 0.00 0.00 0.00 179.25 179.76 3hwc h GLU 2242N 1.11 0.00 -2.58 0.00 4.39 -1.87 -3.42 114.58 112.22 3hwc h GLU 2242Ca 0.27 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.38 3hwc h GLU 2242Cb 0.13 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.39 3hwc h GLU 2242CO -0.03 0.10 -0.87 -1.01 -1.16 0.00 0.00 179.01 176.04 3hwc s HIS 2243N -3.21 1.05 0.36 4.33 3.76 -0.36 -4.93 115.29 116.28 3hwc s HIS 2243Ca 0.00 -1.97 0.09 0.00 -0.15 0.00 0.00 55.06 53.03 3hwc s HIS 2243Cb 0.09 -1.07 0.69 0.00 1.11 0.00 0.00 32.58 33.40 3hwc s HIS 2243CO 0.78 -0.82 1.86 -1.35 -0.85 0.00 0.00 174.74 174.36 3hwc h PRO 2244N 6.54 0.25 0.00 8.40 0.11 -1.77 -2.82 132.00 142.71 3hwc h PRO 2244Ca 0.11 -0.07 -0.44 0.00 0.11 0.00 0.00 66.00 65.71 3hwc h PRO 2244Cb 0.94 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.95 3hwc h PRO 2244CO 0.33 0.44 -2.53 1.28 -0.21 0.00 0.00 178.00 177.31 3hwc n LEU 2245N -4.21 2.28 0.24 2.35 4.77 -1.26 -4.52 117.00 116.64 3hwc n LEU 2245Ca -0.01 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.24 3hwc n LEU 2245Cb 0.32 -0.85 0.59 0.00 -2.33 0.00 0.00 43.42 41.15 3hwc n LEU 2245CO 0.39 0.69 0.96 0.00 -1.33 0.00 0.00 177.39 178.10 3hwc h ALA 2246N -0.69 1.69 0.00 -1.18 0.00 -1.89 -1.25 119.26 115.94 3hwc h ALA 2246Ca -0.67 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hwc h ALA 2246Cb 1.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3hwc h ALA 2246CO -0.32 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 3hwc n SER 2247N -4.24 0.00 0.07 0.00 3.41 -1.06 -2.71 113.62 109.09 3hwc n SER 2247Ca -0.03 -0.51 0.12 0.00 -0.26 0.00 0.00 58.87 58.20 3hwc n SER 2247Cb 0.20 -0.13 0.22 0.00 -0.26 0.00 0.00 64.21 64.25 3hwc n SER 2247CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwc n GLN 2248N -1.13 0.29 0.00 4.33 6.02 -0.47 -4.71 117.38 121.72 3hwc n GLN 2248Ca 0.17 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 3hwc n GLN 2248Cb 0.14 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.68 3hwc n GLN 2248CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwc n GLY 2249N 1.33 4.65 3.53 1.08 0.00 -1.25 -3.77 105.19 110.77 3hwc n GLY 2249Ca 0.04 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 3hwc n GLY 2249CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwc s ASP 2250N 0.00 5.86 -0.94 1.61 3.68 -1.26 -4.77 116.67 120.84 3hwc s ASP 2250Ca 0.00 -0.26 -0.24 0.00 2.13 0.00 0.00 52.55 54.18 3hwc s ASP 2250Cb 0.00 -2.08 -0.04 0.00 -1.45 0.00 0.00 42.92 39.34 3hwc s ASP 2250CO 0.00 -0.14 1.90 -0.70 0.13 0.00 0.00 175.17 176.36 3hwc s GLU 2251N 1.71 2.66 0.39 4.34 2.12 -1.26 -4.76 118.70 123.89 3hwc s GLU 2251Ca 0.06 -0.47 -0.27 0.00 0.36 0.00 0.00 54.97 54.66 3hwc s GLU 2251Cb -0.17 -5.11 -0.09 0.00 0.26 0.00 0.00 34.13 29.02 3hwc s GLU 2251CO 0.09 -3.31 1.31 -0.51 -0.54 0.00 0.00 175.26 172.30 3hwc s LEU 2252N 9.63 4.26 0.16 2.70 1.43 -1.26 -4.78 118.68 130.83 3hwc s LEU 2252Ca 0.67 2.68 0.04 0.00 -1.03 0.00 0.00 54.13 56.50 3hwc s LEU 2252Cb -0.05 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 3hwc s LEU 2252CO -0.00 -0.79 0.18 -1.81 0.23 0.00 0.00 176.35 174.16 3hwc s ASP 2253N -0.65 5.73 0.12 2.29 1.11 -1.26 -1.34 116.67 122.66 3hwc s ASP 2253Ca 0.55 -0.06 -0.17 0.00 0.18 0.00 0.00 52.55 53.05 3hwc s ASP 2253Cb -0.39 -1.56 0.04 0.00 1.07 0.00 0.00 42.92 42.08 3hwc s ASP 2253CO 0.50 0.06 0.43 -0.94 1.18 0.00 0.00 175.17 176.41 3hwc s SER 2254N -3.18 -0.29 -0.14 0.27 1.04 0.59 -2.16 113.70 109.84 3hwc s SER 2254Ca 0.32 -0.22 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 3hwc s SER 2254Cb -0.10 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 3hwc s SER 2254CO 0.25 -0.84 -0.02 0.28 0.98 0.00 0.00 173.24 173.89 3hwc s THR 2255N -3.58 4.07 -0.26 2.02 -1.32 -0.09 -0.25 115.64 116.24 3hwc s THR 2255Ca 0.01 -0.30 -0.07 0.00 -1.21 0.00 0.00 61.69 60.12 3hwc s THR 2255Cb 0.01 -2.77 -0.02 0.00 -1.51 0.00 0.00 72.50 68.21 3hwc s THR 2255CO -0.11 0.52 0.07 -0.89 -2.21 0.00 0.00 174.62 172.01 3hwc s THR 2256N 0.03 4.24 -0.23 5.08 2.01 0.11 -1.31 115.64 125.57 3hwc s THR 2256Ca 0.01 -0.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 3hwc s THR 2256Cb -0.13 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 3hwc s THR 2256CO 0.02 0.28 0.42 -0.69 -0.69 0.00 0.00 174.62 173.96 3hwc s VAL 2257N 1.59 5.16 -0.42 3.82 1.01 -0.16 -0.74 120.40 130.68 3hwc s VAL 2257Ca 0.06 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 3hwc s VAL 2257Cb -0.15 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.54 3hwc s VAL 2257CO 0.03 0.19 0.29 -0.36 0.00 0.00 0.00 175.10 175.25 3hwc s PHE 2258N 1.73 3.27 -0.98 5.22 0.40 0.15 -1.33 117.98 126.44 3hwc s PHE 2258Ca 0.18 -1.04 -0.15 0.00 -0.60 0.00 0.00 56.93 55.33 3hwc s PHE 2258Cb -0.15 -2.79 0.19 0.00 0.51 0.00 0.00 43.02 40.78 3hwc s PHE 2258CO 0.09 -0.73 1.07 0.34 0.70 0.00 0.00 175.22 176.68 3hwc s ASP 2259N 2.00 6.87 -1.39 1.36 2.15 0.89 -1.66 116.67 126.88 3hwc s ASP 2259Ca 0.03 -2.68 -0.13 0.00 0.43 0.00 0.00 52.55 50.21 3hwc s ASP 2259Cb -0.21 -2.31 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 3hwc s ASP 2259CO 0.06 -0.72 0.34 0.59 -0.17 0.00 0.00 175.17 175.27 3hwc n ASN 2260N 4.93 -1.32 -4.77 -0.34 5.03 -1.12 -4.73 115.26 112.94 3hwc n ASN 2260Ca 0.23 -1.22 -0.39 0.00 0.87 0.00 0.00 54.58 54.06 3hwc n ASN 2260Cb 0.46 -1.99 -0.06 0.00 -1.02 0.00 0.00 39.78 37.17 3hwc n ASN 2260CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3hwc s VAL 2261N -3.98 4.38 -0.13 2.41 -7.23 -0.44 -4.75 120.40 110.66 3hwc s VAL 2261Ca 0.19 1.72 -0.23 0.00 -1.81 0.00 0.00 61.98 61.85 3hwc s VAL 2261Cb -0.10 -4.15 -0.03 0.00 0.56 0.00 0.00 36.38 32.67 3hwc s VAL 2261CO 0.96 0.51 0.69 0.12 -0.31 0.00 0.00 175.10 177.08 3hwc s PHE 2262N -1.06 3.48 -0.25 2.82 2.19 -1.26 -1.38 117.98 122.53 3hwc s PHE 2262Ca 0.36 1.14 -0.02 0.00 0.33 0.00 0.00 56.93 58.74 3hwc s PHE 2262Cb -0.23 -2.83 0.02 0.00 -1.31 0.00 0.00 43.02 38.67 3hwc s PHE 2262CO 0.26 -0.05 -0.05 0.42 1.83 0.00 0.00 175.22 177.63 3hwc s ILE 2263N 1.37 3.01 0.48 3.12 1.01 0.92 -4.98 121.20 126.13 3hwc s ILE 2263Ca 0.34 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 3hwc s ILE 2263Cb -0.17 -2.50 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 3hwc s ILE 2263CO 0.14 0.23 1.37 -2.84 0.00 0.00 0.00 174.94 173.85 3hwc s PRO 2264N 1.36 3.54 0.43 2.79 0.02 -1.26 -0.65 135.00 141.24 3hwc s PRO 2264Ca 0.01 2.28 0.22 0.00 0.02 0.00 0.00 61.00 63.54 3hwc s PRO 2264Cb -0.16 -2.52 1.21 0.00 0.02 0.00 0.00 34.50 33.05 3hwc s PRO 2264CO -0.04 -0.88 1.79 -1.49 -0.33 0.00 0.00 177.00 176.05 3hwc h TRP 2265N 2.06 0.49 0.00 6.54 4.06 -1.72 0.08 115.95 127.46 3hwc h TRP 2265Ca -0.51 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.46 3hwc h TRP 2265Cb 1.27 -0.14 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 3hwc h TRP 2265CO 0.49 0.05 -0.02 1.05 -3.56 0.00 0.00 178.44 176.45 3hwc h GLU 2266N 0.30 0.00 -0.34 0.49 4.11 -1.89 -2.26 114.58 114.99 3hwc h GLU 2266Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 3hwc h GLU 2266Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3hwc h GLU 2266CO -0.22 0.02 0.00 1.04 0.07 0.00 0.00 179.01 179.92 3hwc n GLN 2267N -3.42 2.47 -4.05 1.06 6.02 0.01 -4.70 117.38 114.78 3hwc n GLN 2267Ca -0.02 -2.24 -0.35 0.00 -0.01 0.00 0.00 57.00 54.38 3hwc n GLN 2267Cb 0.12 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 3hwc n GLN 2267CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hwc s VAL 2268N -1.54 5.06 -0.16 5.09 -7.23 -0.85 -2.04 120.40 118.72 3hwc s VAL 2268Ca 0.37 -0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.53 3hwc s VAL 2268Cb 0.22 -3.23 -0.14 0.00 0.56 0.00 0.00 36.38 33.79 3hwc s VAL 2268CO 0.31 0.53 -0.08 0.49 -0.31 0.00 0.00 175.10 176.04 3hwc n PHE 2269N 1.73 0.00 -3.57 2.82 3.72 0.97 -4.70 117.46 118.44 3hwc n PHE 2269Ca -0.17 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.09 3hwc n PHE 2269Cb 0.54 -0.70 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 3hwc n PHE 2269CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3hwc s HIS 2270N -2.36 -0.57 -0.01 1.38 5.65 -1.09 -4.19 115.29 114.11 3hwc s HIS 2270Ca -0.17 1.09 -0.15 0.00 0.25 0.00 0.00 55.06 56.08 3hwc s HIS 2270Cb 0.05 0.40 0.02 0.00 -1.18 0.00 0.00 32.58 31.87 3hwc s HIS 2270CO 0.48 -0.46 0.31 0.96 -0.65 0.00 0.00 174.74 175.39 3hwc s ILE 2271N -0.80 0.06 0.00 0.89 -4.36 -1.26 -1.20 121.20 114.54 3hwc s ILE 2271Ca -0.05 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 3hwc s ILE 2271Cb -0.01 -0.66 0.00 0.00 1.25 0.00 0.00 42.46 43.03 3hwc s ILE 2271CO 0.04 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.56 3hwc n GLY 2272N 1.16 0.90 3.09 6.27 0.00 -0.75 -0.22 105.19 115.64 3hwc n GLY 2272Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3hwc n GLY 2272CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwc s ASN 2273N -2.33 5.12 0.51 1.61 3.04 -1.26 -4.47 114.94 117.16 3hwc s ASN 2273Ca 0.00 -2.36 0.22 0.00 0.04 0.00 0.00 52.86 50.76 3hwc s ASN 2273Cb 0.00 -1.80 1.31 0.00 -1.54 0.00 0.00 41.25 39.22 3hwc s ASN 2273CO 0.00 -0.45 2.02 -0.65 -3.04 0.00 0.00 177.10 174.98 3hwc h PRO 2274N 7.59 0.07 -0.31 0.43 0.11 -1.89 -1.43 132.00 136.57 3hwc h PRO 2274Ca -0.08 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 3hwc h PRO 2274Cb 1.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3hwc h PRO 2274CO 0.68 0.04 -0.41 0.93 -0.21 0.00 0.00 178.00 179.04 3hwc h GLU 2275N 0.07 0.76 -0.02 1.05 4.39 -1.95 -3.00 114.58 115.88 3hwc h GLU 2275Ca 0.21 -0.40 -0.13 0.00 0.34 0.00 0.00 59.36 59.38 3hwc h GLU 2275Cb 0.73 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 3hwc h GLU 2275CO -0.02 1.02 -0.58 1.25 -1.16 0.00 0.00 179.01 179.53 3hwc h HIS 2276N 0.62 0.09 0.00 4.33 2.76 -1.63 -2.31 115.15 119.00 3hwc h HIS 2276Ca 0.05 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3hwc h HIS 2276Cb 0.96 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.90 3hwc h HIS 2276CO 0.05 0.63 0.00 0.00 -1.30 0.00 0.00 177.93 177.31 3hwc n ALA 2277N -2.44 2.20 -2.77 5.26 0.00 -0.85 -3.61 120.51 118.29 3hwc n ALA 2277Ca -0.02 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.87 3hwc n ALA 2277Cb 0.59 -1.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 3hwc n ALA 2277CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hwc s LYS 2278N -2.22 3.10 0.00 0.00 2.47 -0.87 -2.66 119.74 119.56 3hwc s LYS 2278Ca 0.27 -0.96 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 3hwc s LYS 2278Cb 0.14 -4.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.41 3hwc s LYS 2278CO 0.27 -1.17 0.00 1.28 0.16 0.00 0.00 175.35 175.89 3hwc n LEU 2279N 5.97 0.00 -0.00 5.43 4.32 -1.26 -4.86 117.00 126.60 3hwc n LEU 2279Ca -0.08 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.74 3hwc n LEU 2279Cb 0.45 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.14 3hwc n LEU 2279CO 0.52 0.00 0.27 1.88 -1.22 0.00 0.00 177.39 178.85 3hwc h TYR 2280N 0.00 0.60 -0.09 -1.77 -1.99 -1.79 -2.42 116.97 109.52 3hwc h TYR 2280Ca 0.00 -0.32 0.03 0.00 2.00 0.00 0.00 58.73 60.44 3hwc h TYR 2280Cb 0.00 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.65 3hwc h TYR 2280CO 0.00 1.13 0.06 -1.35 -0.00 0.00 0.00 178.16 178.01 3hwc h PRO 2281N -0.10 0.00 -0.66 4.88 0.11 -1.78 -2.26 132.00 132.20 3hwc h PRO 2281Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3hwc h PRO 2281Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3hwc h PRO 2281CO 0.11 0.00 0.29 0.37 -0.21 0.00 0.00 178.00 178.56 3hwc h GLN 2282N 0.00 0.97 -0.16 1.05 4.15 -1.82 -2.57 115.11 116.74 3hwc h GLN 2282Ca 0.04 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.22 3hwc h GLN 2282Cb 0.17 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3hwc h GLN 2282CO -0.00 0.80 -0.27 0.00 -1.93 0.00 0.00 178.83 177.43 3hwc h ARG 2283N 0.92 0.30 -0.52 1.69 3.08 -0.91 -2.67 114.38 116.28 3hwc h ARG 2283Ca 0.22 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.26 3hwc h ARG 2283Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3hwc h ARG 2283CO -0.02 0.55 0.35 0.82 -1.07 0.00 0.00 179.97 180.60 3hwc h ILE 2284N 0.27 0.89 -0.01 2.04 2.04 -1.16 -2.01 117.51 119.57 3hwc h ILE 2284Ca 0.04 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hwc h ILE 2284Cb 0.61 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3hwc h ILE 2284CO 0.04 0.06 -0.23 0.49 0.00 0.00 0.00 178.15 178.51 3hwc n PHE 2285N -4.46 0.00 0.01 1.37 3.01 -1.01 -4.35 117.46 112.04 3hwc n PHE 2285Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.44 3hwc n PHE 2285Cb 0.37 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 3hwc n PHE 2285CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3hwc h ASP 2286N 1.67 -0.60 0.65 4.37 3.32 -1.34 -0.10 116.42 124.39 3hwc h ASP 2286Ca 0.00 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3hwc h ASP 2286Cb 0.55 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3hwc h ASP 2286CO 0.00 -0.25 -0.46 -0.50 -1.72 0.00 0.00 179.24 176.31 3hwc h TRP 2287N -0.26 0.00 -0.21 4.55 4.06 -1.77 -0.75 115.95 121.57 3hwc h TRP 2287Ca 0.09 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 3hwc h TRP 2287Cb 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3hwc h TRP 2287CO -0.29 0.46 0.00 0.28 -3.56 0.00 0.00 178.44 175.33 3hwc h VAL 2288N 0.00 1.25 -0.71 1.49 2.07 -1.71 -0.48 116.25 118.16 3hwc h VAL 2288Ca -0.00 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3hwc h VAL 2288Cb 0.91 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3hwc h VAL 2288CO 0.06 0.27 0.22 0.45 0.02 0.00 0.00 177.57 178.59 3hwc h HIS 2289N 0.13 1.14 -0.66 1.57 3.86 -0.62 -0.56 115.15 120.00 3hwc h HIS 2289Ca 0.06 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 3hwc h HIS 2289Cb 0.39 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 3hwc h HIS 2289CO 0.03 0.90 0.28 -0.92 0.86 0.00 0.00 177.93 179.08 3hwc h TYR 2290N 1.06 1.00 -0.58 2.45 5.03 -1.05 -2.53 116.97 122.35 3hwc h TYR 2290Ca 0.23 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 3hwc h TYR 2290Cb 0.30 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 3hwc h TYR 2290CO 0.02 0.78 0.12 1.25 -1.32 0.00 0.00 178.16 179.02 3hwc h HIS 2291N 0.94 0.95 -0.44 -3.82 2.76 -0.47 -2.54 115.15 112.53 3hwc h HIS 2291Ca 0.22 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3hwc h HIS 2291Cb 0.19 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3hwc h HIS 2291CO 0.01 0.80 0.24 0.82 -1.30 0.00 0.00 177.93 178.50 3hwc h ILE 2292N 0.87 1.01 -0.65 6.26 2.04 -0.83 -1.39 117.51 124.83 3hwc h ILE 2292Ca 0.19 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3hwc h ILE 2292Cb 0.34 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 3hwc h ILE 2292CO 0.00 0.09 0.33 0.25 0.00 0.00 0.00 178.15 178.82 3hwc h LEU 2293N 0.48 0.44 -0.35 1.44 6.46 -1.11 0.32 115.31 123.00 3hwc h LEU 2293Ca 0.18 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.03 3hwc h LEU 2293Cb 0.05 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 3hwc h LEU 2293CO -0.10 0.27 0.11 0.40 -0.62 0.00 0.00 178.44 178.50 3hwc h ILE 2294N 0.59 0.89 -0.55 4.05 2.04 -1.02 0.62 117.51 124.11 3hwc h ILE 2294Ca 0.31 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 3hwc h ILE 2294Cb 0.28 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3hwc h ILE 2294CO -0.23 0.05 0.27 -0.09 0.00 0.00 0.00 178.15 178.15 3hwc h ARG 2295N 0.26 0.79 -0.50 2.37 2.43 -0.36 -2.46 114.38 116.91 3hwc h ARG 2295Ca 0.16 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hwc h ARG 2295Cb 0.14 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hwc h ARG 2295CO -0.17 0.65 0.32 1.96 -1.51 0.00 0.00 179.97 181.21 3hwc h GLN 2296N 0.75 0.66 -0.84 0.20 4.20 0.14 -1.60 115.11 118.61 3hwc h GLN 2296Ca 0.19 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3hwc h GLN 2296Cb 0.11 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3hwc h GLN 2296CO -0.02 0.45 0.45 0.28 -0.67 0.00 0.00 178.83 179.32 3hwc h VAL 2297N 0.67 1.25 -0.52 -0.54 2.07 -0.72 -1.35 116.25 117.10 3hwc h VAL 2297Ca 0.18 -0.63 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 3hwc h VAL 2297Cb -0.05 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3hwc h VAL 2297CO -0.04 0.28 0.07 -0.07 0.02 0.00 0.00 177.57 177.84 3hwc h LEU 2298N 1.17 0.78 -0.39 2.57 3.38 -1.22 -2.04 115.31 119.55 3hwc h LEU 2298Ca 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hwc h LEU 2298Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3hwc h LEU 2298CO -0.05 0.80 0.04 -0.09 0.09 0.00 0.00 178.44 179.23 3hwc h ARG 2299N 0.78 0.67 -0.81 1.13 9.65 -0.80 -0.69 114.38 124.31 3hwc h ARG 2299Ca 0.16 -0.20 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 3hwc h ARG 2299Cb 0.37 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 3hwc h ARG 2299CO 0.01 0.74 0.53 0.00 2.80 0.00 0.00 179.97 184.05 3hwc h ALA 2300N 0.90 1.56 -0.51 2.80 0.00 -1.06 -0.92 119.26 122.03 3hwc h ALA 2300Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3hwc h ALA 2300Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hwc h ALA 2300CO 0.01 0.33 -0.15 1.49 0.00 0.00 0.00 179.25 180.93 3hwc h GLU 2301N 0.94 1.01 -0.48 0.00 4.81 -0.86 -2.72 114.58 117.28 3hwc h GLU 2301Ca 0.34 -0.40 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3hwc h GLU 2301Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3hwc h GLU 2301CO -0.11 1.08 0.16 1.25 -0.73 0.00 0.00 179.01 180.66 3hwc h LEU 2302N 0.88 0.69 -1.10 1.64 5.85 -0.43 -2.30 115.31 120.54 3hwc h LEU 2302Ca 0.13 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3hwc h LEU 2302Cb 0.73 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3hwc h LEU 2302CO 0.06 0.71 0.36 0.40 -0.34 0.00 0.00 178.44 179.63 3hwc h ILE 2303N 0.64 1.22 -0.14 4.05 2.04 -1.14 0.90 117.51 125.08 3hwc h ILE 2303Ca 0.16 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3hwc h ILE 2303Cb 0.26 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3hwc h ILE 2303CO -0.01 0.25 0.04 0.58 0.00 0.00 0.00 178.15 179.01 3hwc h VAL 2304N 1.00 1.19 -0.15 1.67 2.07 -1.33 -1.45 116.25 119.25 3hwc h VAL 2304Ca 0.25 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3hwc h VAL 2304Cb 0.07 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3hwc h VAL 2304CO -0.04 0.18 -0.10 1.23 0.02 0.00 0.00 177.57 178.87 3hwc h GLY 2305N 0.04 0.03 0.90 2.17 0.00 -0.98 0.46 103.07 105.70 3hwc h GLY 2305Ca 0.05 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.56 3hwc h GLY 2305CO -0.00 -0.11 0.57 1.41 0.00 0.00 0.00 176.54 178.41 3hwc h LEU 2306N -0.10 0.88 -0.26 3.11 3.38 -0.76 0.13 115.31 121.70 3hwc h LEU 2306Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3hwc h LEU 2306Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hwc h LEU 2306CO -0.21 0.58 -0.29 0.00 0.09 0.00 0.00 178.44 178.60 3hwc h ALA 2307N 1.52 0.38 -0.62 1.53 0.00 -0.69 -1.00 119.26 120.37 3hwc h ALA 2307Ca 0.37 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hwc h ALA 2307Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hwc h ALA 2307CO -0.13 0.40 0.21 0.82 0.00 0.00 0.00 179.25 180.54 3hwc h ILE 2308N 0.37 1.24 0.20 0.00 2.04 -0.27 -2.51 117.51 118.58 3hwc h ILE 2308Ca 0.04 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3hwc h ILE 2308Cb 0.86 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3hwc h ILE 2308CO 0.07 0.31 -0.09 -0.07 0.00 0.00 0.00 178.15 178.37 3hwc h LEU 2309N 0.89 -0.22 -1.48 1.44 3.38 -0.65 -1.16 115.31 117.50 3hwc h LEU 2309Ca 0.20 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3hwc h LEU 2309Cb 0.27 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hwc h LEU 2309CO -0.01 0.16 -0.20 -0.29 0.09 0.00 0.00 178.44 178.20 3hwc h ILE 2310N -0.64 1.17 0.10 1.22 6.09 -1.25 -1.00 117.51 123.21 3hwc h ILE 2310Ca -0.03 -0.80 -0.29 0.00 -1.37 0.00 0.00 64.86 62.38 3hwc h ILE 2310Cb 0.46 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 3hwc h ILE 2310CO 0.04 0.23 -1.41 0.00 -3.07 0.00 0.00 178.15 173.95 3hwc h THR 2311N 0.08 1.28 -0.04 2.19 1.03 -1.43 -2.57 112.91 113.46 3hwc h THR 2311Ca 0.02 -2.93 -0.16 0.00 -0.01 0.00 0.00 66.41 63.33 3hwc h THR 2311Cb 0.40 2.79 -0.01 0.00 -1.07 0.00 0.00 68.15 70.26 3hwc h THR 2311CO 0.03 0.83 -0.68 -0.33 -0.01 0.00 0.00 175.52 175.36 3hwc h GLU 2312N 0.06 0.20 -0.38 0.00 5.08 -1.02 -1.70 114.58 116.80 3hwc h GLU 2312Ca -0.19 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 57.87 3hwc h GLU 2312Cb 1.98 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 3hwc h GLU 2312CO 0.16 0.80 -0.33 1.25 -1.00 0.00 0.00 179.01 179.89 3hwc h HIS 2313N 0.14 1.02 0.00 4.33 2.76 -1.13 -3.03 115.15 119.23 3hwc h HIS 2313Ca -0.02 -0.28 -0.15 0.00 -2.20 0.00 0.00 60.37 57.72 3hwc h HIS 2313Cb 1.21 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.92 3hwc h HIS 2313CO 0.02 1.08 -0.73 0.82 -1.30 0.00 0.00 177.93 177.82 3hwc h ILE 2314N 0.73 1.27 0.00 6.26 2.04 -1.51 -3.35 117.51 122.94 3hwc h ILE 2314Ca 0.07 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.19 3hwc h ILE 2314Cb 0.90 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3hwc h ILE 2314CO 0.08 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.56 3hwc n GLY 2315N 1.22 0.93 0.71 5.37 0.00 -0.85 -4.72 105.19 107.86 3hwc n GLY 2315Ca 0.01 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3hwc n GLY 2315CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwc n THR 2316N -2.11 0.00 0.27 2.61 -2.24 -0.70 -4.56 114.28 107.55 3hwc n THR 2316Ca 0.00 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 3hwc n THR 2316Cb 0.00 1.21 0.77 0.00 -2.10 0.00 0.00 70.33 70.21 3hwc n THR 2316CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hwc h SER 2317N 3.51 0.00 0.09 3.42 4.64 -1.80 -2.37 113.55 121.04 3hwc h SER 2317Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwc h SER 2317Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hwc h SER 2317CO 0.00 0.08 -0.23 0.29 -0.87 0.00 0.00 176.83 176.10 3hwc n LYS 2318N -3.80 1.27 -2.14 4.77 5.02 -1.26 -4.29 118.16 117.74 3hwc n LYS 2318Ca -0.02 -0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 54.97 3hwc n LYS 2318Cb 0.18 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3hwc n LYS 2318CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hwc s LEU 2319N -2.34 4.38 0.27 -0.35 1.43 -0.89 -4.92 118.68 116.25 3hwc s LEU 2319Ca 0.26 2.39 -0.00 0.00 -1.03 0.00 0.00 54.13 55.75 3hwc s LEU 2319Cb 0.19 -3.59 0.55 0.00 0.03 0.00 0.00 46.19 43.38 3hwc s LEU 2319CO 0.47 -0.66 1.76 -0.65 0.23 0.00 0.00 176.35 177.50 3hwc h PRO 2320N 6.53 0.61 -0.17 1.29 0.11 -1.89 -0.30 132.00 138.18 3hwc h PRO 2320Ca -0.43 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.66 3hwc h PRO 2320Cb 1.21 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3hwc h PRO 2320CO 0.86 0.40 0.07 1.15 -0.21 0.00 0.00 178.00 180.27 3hwc h THR 2321N 0.63 0.98 0.06 -1.15 2.02 -1.94 -1.91 112.91 111.59 3hwc h THR 2321Ca 0.47 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 3hwc h THR 2321Cb 0.68 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3hwc h THR 2321CO -0.37 0.03 -0.03 0.58 0.37 0.00 0.00 175.52 176.10 3hwc h VAL 2322N 0.16 1.13 -0.83 3.16 2.07 -1.62 -2.94 116.25 117.38 3hwc h VAL 2322Ca 0.07 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 66.98 3hwc h VAL 2322Cb 0.03 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3hwc h VAL 2322CO -0.06 0.17 0.54 0.77 0.02 0.00 0.00 177.57 179.01 3hwc h SER 2323N -0.39 0.83 -0.40 0.57 4.64 -1.06 0.80 113.55 118.55 3hwc h SER 2323Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3hwc h SER 2323Cb 0.34 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3hwc h SER 2323CO 0.01 0.54 0.19 0.00 -0.87 0.00 0.00 176.83 176.70 3hwc h ALA 2324N 1.54 1.49 -0.09 5.18 0.00 -1.31 0.13 119.26 126.20 3hwc h ALA 2324Ca 0.35 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 3hwc h ALA 2324Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwc h ALA 2324CO -0.12 0.40 -0.77 0.00 0.00 0.00 0.00 179.25 178.76 3hwc h ARG 2325N 0.63 0.51 -0.35 0.00 3.08 -0.74 -2.94 114.38 114.58 3hwc h ARG 2325Ca 0.15 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 3hwc h ARG 2325Cb 0.11 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3hwc h ARG 2325CO -0.02 1.06 0.09 0.28 -1.07 0.00 0.00 179.97 180.31 3hwc h VAL 2326N 0.34 1.16 -0.36 2.04 2.07 -0.46 -2.32 116.25 118.72 3hwc h VAL 2326Ca -0.04 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3hwc h VAL 2326Cb 1.37 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3hwc h VAL 2326CO 0.14 0.20 0.17 0.00 0.02 0.00 0.00 177.57 178.10 3hwc h ALA 2327N 1.61 1.63 -0.49 1.67 0.00 -0.81 -1.46 119.26 121.40 3hwc h ALA 2327Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3hwc h ALA 2327Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hwc h ALA 2327CO -0.00 0.30 -0.13 0.87 0.00 0.00 0.00 179.25 180.29 3hwc h LYS 2328N 0.50 0.92 -0.31 0.00 1.57 -1.33 -0.43 116.57 117.49 3hwc h LYS 2328Ca 0.13 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 3hwc h LYS 2328Cb 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3hwc h LYS 2328CO -0.02 0.99 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.78 3hwc h LEU 2329N 0.82 0.54 -0.41 2.94 3.38 -1.25 -1.00 115.31 120.33 3hwc h LEU 2329Ca 0.13 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3hwc h LEU 2329Cb 0.66 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hwc h LEU 2329CO 0.05 0.73 0.26 0.58 0.09 0.00 0.00 178.44 180.14 3hwc h VAL 2330N 0.35 1.08 -0.21 1.22 2.07 -1.21 -1.86 116.25 117.68 3hwc h VAL 2330Ca 0.09 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3hwc h VAL 2330Cb 0.45 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3hwc h VAL 2330CO 0.02 0.10 -0.14 0.00 0.02 0.00 0.00 177.57 177.56 3hwc h ALA 2331N 1.17 0.01 -0.51 1.67 0.00 -0.88 0.14 119.26 120.86 3hwc h ALA 2331Ca 0.16 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.24 3hwc h ALA 2331Cb -0.03 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3hwc h ALA 2331CO -0.05 -0.57 0.09 0.35 0.00 0.00 0.00 179.25 179.07 3hwc h PHE 2332N -0.14 0.14 0.01 0.00 3.57 -0.93 0.92 116.94 120.52 3hwc h PHE 2332Ca 0.12 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3hwc h PHE 2332Cb 0.32 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3hwc h PHE 2332CO -0.30 -0.02 -0.01 1.25 -2.23 0.00 0.00 178.31 177.00 3hwc h HIS 2333N 0.22 -0.02 -0.18 0.41 2.76 -0.60 -0.86 115.15 116.89 3hwc h HIS 2333Ca 0.26 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3hwc h HIS 2333Cb 0.36 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3hwc h HIS 2333CO -0.24 0.05 0.12 -0.07 -1.30 0.00 0.00 177.93 176.49 3hwc h LEU 2334N -0.08 0.18 -0.15 0.26 3.38 -0.49 0.21 115.31 118.63 3hwc h LEU 2334Ca -0.00 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3hwc h LEU 2334Cb 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hwc h LEU 2334CO 0.00 0.13 -0.41 0.00 0.09 0.00 0.00 178.44 178.25 3hwc h ALA 2335N 1.89 0.25 -0.07 1.53 0.00 -0.43 -1.37 119.26 121.06 3hwc h ALA 2335Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hwc h ALA 2335Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hwc h ALA 2335CO -0.01 0.36 0.03 0.52 0.00 0.00 0.00 179.25 180.15 3hwc h MET 2336N 0.17 0.11 -0.57 0.00 2.86 -0.49 -2.77 114.93 114.23 3hwc h MET 2336Ca -0.01 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3hwc h MET 2336Cb 1.03 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 3hwc h MET 2336CO 0.09 0.20 0.38 0.37 1.06 0.00 0.00 176.91 179.01 3hwc h GLN 2337N -0.02 0.66 -0.25 1.72 4.15 -0.61 -2.43 115.11 118.33 3hwc h GLN 2337Ca 0.03 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 3hwc h GLN 2337Cb 0.13 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3hwc h GLN 2337CO -0.00 0.44 -0.50 0.00 -1.93 0.00 0.00 178.83 176.84 3hwc h ALA 2338N 1.66 0.65 -0.58 3.38 0.00 -1.08 -0.21 119.26 123.08 3hwc h ALA 2338Ca 0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3hwc h ALA 2338Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hwc h ALA 2338CO -0.06 0.68 0.28 0.45 0.00 0.00 0.00 179.25 180.60 3hwc h HIS 2339N 0.55 0.83 0.26 0.00 3.86 -1.19 0.03 115.15 119.49 3hwc h HIS 2339Ca 0.02 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3hwc h HIS 2339Cb 1.06 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3hwc h HIS 2339CO 0.05 0.64 -0.12 1.25 0.86 0.00 0.00 177.93 180.61 3hwc h LEU 2340N 0.79 -0.29 -0.26 2.43 5.85 -1.13 -0.80 115.31 121.89 3hwc h LEU 2340Ca 0.20 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3hwc h LEU 2340Cb 0.11 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3hwc h LEU 2340CO -0.03 -0.20 0.03 0.40 -0.34 0.00 0.00 178.44 178.30 3hwc h ILE 2341N -0.35 1.24 -0.69 4.05 2.04 -0.97 -2.39 117.51 120.44 3hwc h ILE 2341Ca -0.04 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3hwc h ILE 2341Cb 0.27 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3hwc h ILE 2341CO 0.06 0.26 0.38 0.00 0.00 0.00 0.00 178.15 178.86 3hwc h ALA 2342N 0.84 1.38 -0.63 1.87 0.00 -0.98 -2.14 119.26 119.59 3hwc h ALA 2342Ca 0.08 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3hwc h ALA 2342Cb 0.36 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hwc h ALA 2342CO 0.01 0.52 0.05 0.66 0.00 0.00 0.00 179.25 180.48 3hwc h SER 2343N 0.96 1.05 0.87 0.00 4.64 -1.01 -2.63 113.55 117.43 3hwc h SER 2343Ca 0.25 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3hwc h SER 2343Cb 0.01 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.82 3hwc h SER 2343CO -0.04 1.07 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.62 3hwc h GLU 2344N 1.00 0.00 0.00 4.77 5.08 -0.91 0.52 114.58 125.04 3hwc h GLU 2344Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3hwc h GLU 2344Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hwc h GLU 2344CO 0.02 0.04 -1.13 -1.91 -1.00 0.00 0.00 179.01 175.03 3hwc n GLU 2345N -3.17 0.56 -1.50 2.33 4.07 -0.85 -4.20 120.64 117.87 3hwc n GLU 2345Ca 0.00 0.06 -0.18 0.00 -0.06 0.00 0.00 57.16 56.98 3hwc n GLU 2345Cb 0.30 -1.75 0.09 0.00 -0.06 0.00 0.00 31.44 30.01 3hwc n GLU 2345CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3hwc n THR 2346N -2.52 2.65 -1.55 6.31 -2.24 -1.03 -5.04 114.28 110.87 3hwc n THR 2346Ca -0.00 -3.63 -0.13 0.00 -2.27 0.00 0.00 64.05 58.02 3hwc n THR 2346Cb 0.54 -0.87 0.09 0.00 -2.10 0.00 0.00 70.33 67.99 3hwc n THR 2346CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwc n GLY 2347N -0.87 -1.04 3.39 3.38 0.00 -1.22 -4.19 105.19 104.64 3hwc n GLY 2347Ca 0.41 -1.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 3hwc n GLY 2347CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hwc s PHE 2348N -2.19 1.34 -0.13 1.61 -0.12 -0.36 -4.92 117.98 113.22 3hwc s PHE 2348Ca 0.34 -1.44 -0.02 0.00 -0.05 0.00 0.00 56.93 55.76 3hwc s PHE 2348Cb -0.01 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 3hwc s PHE 2348CO 0.24 -0.99 -0.05 -1.01 -0.05 0.00 0.00 175.22 173.35 3hwc s HIS 2349N -3.32 2.98 1.01 3.49 3.76 -1.26 0.04 115.29 122.00 3hwc s HIS 2349Ca 0.35 -0.26 -0.14 0.00 -0.15 0.00 0.00 55.06 54.87 3hwc s HIS 2349Cb 0.01 -1.88 0.19 0.00 1.11 0.00 0.00 32.58 32.01 3hwc s HIS 2349CO 0.22 0.04 1.12 0.95 -0.85 0.00 0.00 174.74 176.23 3hwc s THR 2350N 0.06 1.93 0.25 1.30 -4.23 0.70 -4.87 115.64 110.78 3hwc s THR 2350Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 3hwc s THR 2350Cb -0.14 -2.60 0.23 0.00 1.34 0.00 0.00 72.50 71.33 3hwc s THR 2350CO 0.03 0.00 1.81 0.11 -0.54 0.00 0.00 174.62 176.03 3hwc h LYS 2351N -1.89 0.78 0.00 3.99 1.57 -1.90 -0.04 116.57 119.09 3hwc h LYS 2351Ca -0.51 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3hwc h LYS 2351Cb 1.32 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3hwc h LYS 2351CO 0.54 0.52 0.00 0.41 -0.57 0.00 0.00 179.45 180.35 3hwc n GLY 2352N -1.33 -0.60 1.93 3.86 0.00 -1.22 -4.82 105.19 103.01 3hwc n GLY 2352Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3hwc n GLY 2352CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwc n GLY 2353N 0.16 0.51 3.75 -0.02 0.00 -0.03 -5.01 105.19 104.56 3hwc n GLY 2353Ca 0.10 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3hwc n GLY 2353CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwc s ARG 2354N -0.09 4.81 -0.34 1.61 0.52 -1.26 -4.71 118.95 119.49 3hwc s ARG 2354Ca 0.00 1.43 -0.21 0.00 -0.52 0.00 0.00 55.73 56.43 3hwc s ARG 2354Cb 0.00 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.19 3hwc s ARG 2354CO 0.00 0.53 0.69 -0.47 0.02 0.00 0.00 175.30 176.07 3hwc s TYR 2355N -1.17 3.16 -0.11 -0.53 6.14 -0.08 -0.22 117.35 124.54 3hwc s TYR 2355Ca 0.40 0.49 -0.03 0.00 0.64 0.00 0.00 57.07 58.57 3hwc s TYR 2355Cb -0.25 -3.18 -0.03 0.00 0.42 0.00 0.00 41.96 38.91 3hwc s TYR 2355CO 0.31 -0.62 0.02 0.21 0.64 0.00 0.00 175.55 176.11 3hwc s LYS 2356N 2.81 3.24 0.74 4.97 2.20 0.11 -4.85 119.74 128.97 3hwc s LYS 2356Ca 0.27 -0.39 -0.12 0.00 -0.36 0.00 0.00 55.97 55.38 3hwc s LYS 2356Cb -0.14 -2.90 0.04 0.00 -1.51 0.00 0.00 37.83 33.32 3hwc s LYS 2356CO 0.14 0.60 1.10 -2.14 -0.36 0.00 0.00 175.35 174.69 3hwc s PRO 2357N -0.58 2.40 -0.21 4.03 0.02 -1.26 -1.22 135.00 138.18 3hwc s PRO 2357Ca 0.10 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.06 3hwc s PRO 2357Cb -0.12 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 3hwc s PRO 2357CO 0.02 -1.54 1.66 1.21 -0.33 0.00 0.00 177.00 178.02 3hwc s ASN 2358N -3.18 6.33 0.21 2.53 3.04 0.16 -4.78 114.94 119.25 3hwc s ASN 2358Ca 0.63 1.67 -0.03 0.00 0.04 0.00 0.00 52.86 55.17 3hwc s ASN 2358Cb -0.18 -2.53 0.19 0.00 -1.54 0.00 0.00 41.25 37.18 3hwc s ASN 2358CO 0.52 -1.29 1.60 -0.65 -3.04 0.00 0.00 177.10 174.24 3hwc h PRO 2359N 10.95 0.67 -0.74 0.43 0.11 -1.92 -2.46 132.00 139.05 3hwc h PRO 2359Ca -0.35 -0.31 0.07 0.00 0.11 0.00 0.00 66.00 65.52 3hwc h PRO 2359Cb 1.16 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3hwc h PRO 2359CO 1.00 0.91 0.42 1.25 -0.21 0.00 0.00 178.00 181.37 3hwc h LEU 2360N 0.56 0.63 0.00 2.35 5.85 -1.94 0.24 115.31 123.00 3hwc h LEU 2360Ca 0.06 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 3hwc h LEU 2360Cb 0.85 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.80 3hwc h LEU 2360CO 0.07 0.40 -0.43 0.40 -0.34 0.00 0.00 178.44 178.54 3hwc h ILE 2361N 0.76 1.49 0.00 4.05 2.04 -1.90 -2.77 117.51 121.18 3hwc h ILE 2361Ca 0.33 -2.04 -0.11 0.00 1.00 0.00 0.00 64.86 64.04 3hwc h ILE 2361Cb 0.22 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 3hwc h ILE 2361CO -0.20 0.57 -0.54 0.10 0.00 0.00 0.00 178.15 178.09 3hwc h TYR 2362N -0.32 0.00 -0.41 1.37 -0.00 -1.39 0.84 116.97 117.06 3hwc h TYR 2362Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.53 3hwc h TYR 2362Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.89 3hwc h TYR 2362CO 0.17 0.54 -0.31 -0.44 -0.00 0.00 0.00 178.16 178.12 3hwc h ASP 2363N 0.00 0.96 0.53 0.10 3.32 -1.03 0.32 116.42 120.62 3hwc h ASP 2363Ca -0.01 -0.40 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 3hwc h ASP 2363Cb 1.10 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3hwc h ASP 2363CO 0.07 1.19 -0.56 -0.26 -1.72 0.00 0.00 179.24 177.96 3hwc h PHE 2364N 0.77 0.04 -0.59 4.55 0.04 -1.38 -1.65 116.94 118.73 3hwc h PHE 2364Ca 0.08 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3hwc h PHE 2364Cb 0.88 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 3hwc h PHE 2364CO 0.05 0.59 0.34 0.78 -0.60 0.00 0.00 178.31 179.47 3hwc h GLY 2365N 1.65 0.85 1.05 -1.45 0.00 -0.37 0.63 103.07 105.43 3hwc h GLY 2365Ca -0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3hwc h GLY 2365CO 0.08 0.18 -0.00 3.21 0.00 0.00 0.00 176.54 180.00 3hwc h ARG 2366N 0.65 0.98 -0.85 4.80 3.08 -0.62 -2.41 114.38 120.01 3hwc h ARG 2366Ca 0.25 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3hwc h ARG 2366Cb 0.10 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 3hwc h ARG 2366CO -0.14 0.99 0.54 0.00 -1.07 0.00 0.00 179.97 180.29 3hwc h ALA 2367N 0.96 1.14 -0.99 0.04 0.00 -0.92 -1.45 119.26 118.03 3hwc h ALA 2367Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hwc h ALA 2367Cb 0.54 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3hwc h ALA 2367CO 0.03 0.35 0.65 1.25 0.00 0.00 0.00 179.25 181.54 3hwc h HIS 2368N 1.04 1.24 -0.06 0.00 -0.00 -0.47 -1.37 115.15 115.53 3hwc h HIS 2368Ca 0.35 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.74 3hwc h HIS 2368Cb 0.06 -0.42 -0.00 0.00 -0.00 0.00 0.00 27.41 27.05 3hwc h HIS 2368CO -0.02 0.78 0.00 0.35 -0.00 0.00 0.00 177.93 179.03 3hwc h PHE 2369N 1.33 0.11 -0.54 5.26 3.57 -0.93 -2.80 116.94 122.95 3hwc h PHE 2369Ca 0.36 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3hwc h PHE 2369Cb -0.15 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3hwc h PHE 2369CO -0.00 0.37 0.35 -0.07 -2.23 0.00 0.00 178.31 176.73 3hwc h LEU 2370N -0.18 0.63 0.00 0.59 3.38 -0.99 0.60 115.31 119.34 3hwc h LEU 2370Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwc h LEU 2370Cb 0.33 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hwc h LEU 2370CO 0.00 0.46 -0.01 1.56 0.09 0.00 0.00 178.44 180.54 3hwc h GLN 2371N 0.74 0.00 -0.00 1.13 4.20 -1.23 -3.35 115.11 116.60 3hwc h GLN 2371Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3hwc h GLN 2371Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hwc h GLN 2371CO -0.04 0.00 -0.07 0.09 -0.67 0.00 0.00 178.83 178.14 3hwc n ASN 2372N -2.87 0.22 -0.33 1.46 4.13 -0.87 -4.69 115.26 112.31 3hwc n ASN 2372Ca 0.04 -0.61 0.09 0.00 1.68 0.00 0.00 54.58 55.78 3hwc n ASN 2372Cb 0.50 0.87 0.28 0.00 -1.54 0.00 0.00 39.78 39.89 3hwc n ASN 2372CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 3hwc h GLN 2373N 0.05 0.88 -0.24 3.52 3.07 -1.04 -1.19 115.11 120.16 3hwc h GLN 2373Ca 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 3hwc h GLN 2373Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 27.40 3hwc h GLN 2373CO 0.00 0.58 0.14 0.52 0.09 0.00 0.00 178.83 180.16 3hwc h MET 2374N 0.91 0.33 -0.00 0.06 2.86 -1.83 0.25 114.93 117.50 3hwc h MET 2374Ca 0.48 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 58.12 3hwc h MET 2374Cb 0.55 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 3hwc h MET 2374CO -0.25 0.28 -0.32 1.03 1.06 0.00 0.00 176.91 178.71 3hwc h SER 2375N 0.29 -0.96 -0.18 1.22 0.87 -1.55 -1.71 113.55 111.52 3hwc h SER 2375Ca 0.09 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 3hwc h SER 2375Cb 0.04 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3hwc h SER 2375CO -0.01 -0.38 -0.27 -0.37 -0.53 0.00 0.00 176.83 175.26 3hwc h VAL 2376N -0.47 1.28 -0.44 2.23 -1.51 -1.20 -2.18 116.25 113.96 3hwc h VAL 2376Ca 0.06 -1.37 0.04 0.00 -1.23 0.00 0.00 66.70 64.20 3hwc h VAL 2376Cb 0.56 1.32 -0.04 0.00 -2.13 0.00 0.00 31.29 31.00 3hwc h VAL 2376CO -0.27 0.45 0.20 -0.03 -1.23 0.00 0.00 177.57 176.68 3hwc h MET 2377N 0.57 0.38 -0.43 5.19 -1.53 -0.80 -0.85 114.93 117.46 3hwc h MET 2377Ca 0.07 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.28 3hwc h MET 2377Cb 0.76 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.70 3hwc h MET 2377CO 0.06 0.25 0.14 -0.92 0.14 0.00 0.00 176.91 176.58 3hwc h TYR 2378N 0.39 0.62 -0.16 1.39 3.20 -0.95 -0.69 116.97 120.77 3hwc h TYR 2378Ca 0.20 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3hwc h TYR 2378Cb 0.14 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hwc h TYR 2378CO -0.12 0.51 -0.26 1.49 -1.64 0.00 0.00 178.16 178.14 3hwc h GLU 2379N 0.61 0.46 -0.40 1.82 4.57 -0.79 -1.19 114.58 119.65 3hwc h GLU 2379Ca 0.14 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3hwc h GLU 2379Cb 0.18 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3hwc h GLU 2379CO -0.01 0.87 0.25 1.25 -1.18 0.00 0.00 179.01 180.20 3hwc h LEU 2380N 0.08 0.48 -1.12 1.64 6.46 -0.92 -0.77 115.31 121.15 3hwc h LEU 2380Ca 0.01 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3hwc h LEU 2380Cb 0.84 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 3hwc h LEU 2380CO 0.06 0.37 0.31 -0.07 -0.62 0.00 0.00 178.44 178.49 3hwc h LEU 2381N 0.54 0.84 -0.37 2.25 3.38 -1.10 -1.38 115.31 119.47 3hwc h LEU 2381Ca 0.15 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3hwc h LEU 2381Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3hwc h LEU 2381CO -0.03 0.71 -0.35 -0.78 0.09 0.00 0.00 178.44 178.08 3hwc h ASP 2382N 0.93 0.95 0.28 -0.43 3.58 -0.78 -2.69 116.42 118.26 3hwc h ASP 2382Ca 0.23 -0.46 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 3hwc h ASP 2382Cb 0.10 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3hwc h ASP 2382CO -0.03 1.22 -0.33 -0.07 -2.88 0.00 0.00 179.24 177.15 3hwc h LEU 2383N 0.70 0.09 -0.14 2.28 4.07 -0.80 -3.13 115.31 118.37 3hwc h LEU 2383Ca 0.06 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 3hwc h LEU 2383Cb 0.94 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 3hwc h LEU 2383CO 0.09 0.42 -0.89 0.00 -1.08 0.00 0.00 178.44 176.98 3hwc h ALA 2384N 1.59 0.49 -0.90 1.53 0.00 -1.11 -3.44 119.26 117.41 3hwc h ALA 2384Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3hwc h ALA 2384Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hwc h ALA 2384CO 0.05 1.11 0.00 0.41 0.00 0.00 0.00 179.25 180.82 3hwc n GLY 2385N 1.14 2.93 0.03 0.00 0.00 -1.03 -2.55 105.19 105.72 3hwc n GLY 2385Ca -0.00 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.79 3hwc n GLY 2385CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hwc n ARG 2386N 13.81 0.06 0.33 1.61 0.00 -1.26 -3.55 116.66 127.66 3hwc n ARG 2386Ca 0.00 0.22 0.22 0.00 -0.00 0.00 0.00 57.85 58.29 3hwc n ARG 2386Cb 0.00 -1.59 1.17 0.00 -0.00 0.00 0.00 32.46 32.04 3hwc n ARG 2386CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3hwc h SER 2387N 0.00 0.00 -0.01 2.89 0.02 -1.80 0.27 113.55 114.92 3hwc h SER 2387Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hwc h SER 2387Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3hwc h SER 2387CO 0.00 0.00 -0.35 -1.54 -1.14 0.00 0.00 176.83 173.80 3hwc n SER 2388N -3.04 2.24 0.02 3.07 3.41 -1.23 -4.22 113.62 113.86 3hwc n SER 2388Ca -0.03 -1.62 -0.01 0.00 -0.26 0.00 0.00 58.87 56.96 3hwc n SER 2388Cb 0.10 0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hwc n SER 2388CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3hwc n LEU 2389N 0.30 0.68 -3.72 1.04 7.94 0.28 -4.63 117.00 118.89 3hwc n LEU 2389Ca 0.11 0.09 -0.42 0.00 -1.11 0.00 0.00 56.01 54.68 3hwc n LEU 2389Cb 0.50 -0.26 -0.00 0.00 0.53 0.00 0.00 43.42 44.19 3hwc n LEU 2389CO 0.25 -0.60 2.62 0.23 -1.11 0.00 0.00 177.39 178.78 3hwc n MET 2390N -3.13 3.06 -3.48 1.96 2.81 0.70 -4.91 117.12 114.12 3hwc n MET 2390Ca -0.01 -2.73 -0.39 0.00 -1.81 0.00 0.00 57.70 52.76 3hwc n MET 2390Cb 0.05 -3.19 -0.10 0.00 -0.71 0.00 0.00 33.22 29.27 3hwc n MET 2390CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hwc s ILE 2391N 2.63 5.24 0.10 2.02 1.01 -1.26 -4.79 121.20 126.14 3hwc s ILE 2391Ca 0.48 0.31 -0.31 0.00 0.00 0.00 0.00 60.65 61.13 3hwc s ILE 2391Cb 0.14 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 3hwc s ILE 2391CO -0.07 0.16 1.26 -2.84 0.00 0.00 0.00 174.94 173.45 3hwc s PRO 2392N 1.92 4.40 1.14 2.79 0.02 -1.26 -5.02 135.00 139.00 3hwc s PRO 2392Ca 0.11 1.88 -0.15 0.00 0.02 0.00 0.00 61.00 62.86 3hwc s PRO 2392Cb -0.16 -3.30 0.26 0.00 0.02 0.00 0.00 34.50 31.32 3hwc s PRO 2392CO 0.11 -0.29 1.06 -1.54 -0.33 0.00 0.00 177.00 176.00 3hwc s SER 2393N 0.93 1.32 0.17 2.53 1.04 -1.26 -4.77 113.70 113.67 3hwc s SER 2393Ca 0.60 1.13 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 3hwc s SER 2393Cb -0.32 -1.73 0.07 0.00 0.10 0.00 0.00 66.02 64.14 3hwc s SER 2393CO 0.31 -3.93 1.73 -0.33 0.98 0.00 0.00 173.24 171.99 3hwc h GLU 2394N -2.44 0.89 -0.94 4.02 4.39 -1.95 -1.63 114.58 116.92 3hwc h GLU 2394Ca -0.55 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.03 3hwc h GLU 2394Cb 1.33 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 3hwc h GLU 2394CO 0.49 0.76 0.61 0.78 -1.16 0.00 0.00 179.01 180.49 3hwc h GLY 2395N 0.82 1.39 1.14 -3.84 0.00 -1.96 0.24 103.07 100.87 3hwc h GLY 2395Ca 0.20 -0.46 -0.21 0.00 0.00 0.00 0.00 47.33 46.86 3hwc h GLY 2395CO -0.02 0.37 -0.69 1.46 0.00 0.00 0.00 176.54 177.67 3hwc h GLN 2396N 1.15 0.80 -0.25 4.80 4.20 -1.88 -2.42 115.11 121.51 3hwc h GLN 2396Ca 0.38 -0.61 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3hwc h GLN 2396Cb 0.05 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3hwc h GLN 2396CO -0.14 1.22 0.11 2.35 -0.67 0.00 0.00 178.83 181.71 3hwc h TRP 2397N 0.55 0.37 -0.01 2.96 2.91 -0.93 -2.95 115.95 118.85 3hwc h TRP 2397Ca -0.03 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.97 3hwc h TRP 2397Cb 1.31 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 3hwc h TRP 2397CO 0.09 0.36 0.00 -0.25 -1.03 0.00 0.00 178.44 177.61 3hwc n ASP 2398N -4.81 0.09 -4.75 2.65 10.43 0.82 -4.30 116.55 116.69 3hwc n ASP 2398Ca -0.03 -1.39 -0.41 0.00 2.57 0.00 0.00 54.79 55.53 3hwc n ASP 2398Cb 0.11 -0.01 -0.02 0.00 1.84 0.00 0.00 41.12 43.04 3hwc n ASP 2398CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hwc s ASP 2399N -1.63 6.64 0.12 -2.24 2.15 -0.92 -4.90 116.67 115.90 3hwc s ASP 2399Ca 0.30 2.68 -0.17 0.00 0.43 0.00 0.00 52.55 55.79 3hwc s ASP 2399Cb 0.14 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 3hwc s ASP 2399CO 0.24 -0.71 1.69 -1.28 -0.17 0.00 0.00 175.17 174.93 3hwc h SER 2400N 5.01 0.46 0.08 -0.34 0.87 -1.90 -0.34 113.55 117.39 3hwc h SER 2400Ca -0.46 -0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 59.77 3hwc h SER 2400Cb 1.22 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 63.08 3hwc h SER 2400CO 0.78 0.48 -0.78 -0.61 -0.53 0.00 0.00 176.83 176.16 3hwc h GLN 2401N 0.41 0.40 0.00 2.24 4.15 -1.97 -3.40 115.11 116.94 3hwc h GLN 2401Ca 0.12 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 59.01 3hwc h GLN 2401Cb 0.15 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3hwc h GLN 2401CO -0.01 1.20 -0.48 0.43 -1.93 0.00 0.00 178.83 178.04 3hwc n SER 2402N -4.12 0.73 -0.37 -0.69 7.64 -1.25 -4.66 113.62 110.90 3hwc n SER 2402Ca -0.12 -0.58 0.30 0.00 1.01 0.00 0.00 58.87 59.47 3hwc n SER 2402Cb 0.78 1.05 0.59 0.00 -1.01 0.00 0.00 64.21 65.61 3hwc n SER 2402CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hwc h GLY 2403N 1.68 1.14 2.00 0.23 0.00 -1.18 0.11 103.07 107.04 3hwc h GLY 2403Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3hwc h GLY 2403CO 0.00 -0.23 -0.14 0.06 0.00 0.00 0.00 176.54 176.24 3hwc h GLN 2404N 0.24 0.00 -0.49 4.80 -0.00 -1.82 -2.75 115.11 115.09 3hwc h GLN 2404Ca 0.68 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 59.22 3hwc h GLN 2404Cb 2.01 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.47 3hwc h GLN 2404CO -0.32 0.14 -0.16 -1.49 -0.00 0.00 0.00 178.83 177.00 3hwc h TRP 2405N 0.00 1.09 -0.60 0.06 4.06 -1.12 -2.77 115.95 116.67 3hwc h TRP 2405Ca -0.00 -0.25 -0.07 0.00 2.06 0.00 0.00 58.89 60.63 3hwc h TRP 2405Cb 0.53 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 3hwc h TRP 2405CO 0.00 1.05 0.09 0.74 -3.56 0.00 0.00 178.44 176.76 3hwc h PHE 2406N 0.82 1.04 -0.87 0.49 -1.00 -1.57 -1.44 116.94 114.41 3hwc h PHE 2406Ca 0.12 -0.13 0.03 0.00 2.81 0.00 0.00 57.97 60.80 3hwc h PHE 2406Cb 0.72 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.94 3hwc h PHE 2406CO 0.05 0.89 0.56 0.28 -1.61 0.00 0.00 178.31 178.48 3hwc h VAL 2407N 0.92 1.15 -0.10 -0.55 2.07 -1.45 -2.42 116.25 115.87 3hwc h VAL 2407Ca 0.19 -0.37 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 3hwc h VAL 2407Cb 0.42 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3hwc h VAL 2407CO 0.01 0.20 -0.57 0.11 0.02 0.00 0.00 177.57 177.34 3hwc h LYS 2408N 1.09 0.32 0.00 1.57 1.57 -1.18 -2.52 116.57 117.43 3hwc h LYS 2408Ca 0.34 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3hwc h LYS 2408Cb -0.01 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hwc h LYS 2408CO -0.11 0.80 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.19 3hwc h LEU 2409N 0.24 0.00 -2.00 2.94 3.38 -0.86 -3.21 115.31 115.80 3hwc h LEU 2409Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwc h LEU 2409Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hwc h LEU 2409CO 0.09 0.31 0.00 0.59 0.09 0.00 0.00 178.44 179.52 3hwc n ASN 2410N -3.87 2.53 -4.77 -0.43 3.02 -0.95 -4.99 115.26 105.80 3hwc n ASN 2410Ca -0.02 -1.73 -0.38 0.00 -0.03 0.00 0.00 54.58 52.42 3hwc n ASN 2410Cb 0.39 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 3hwc n ASN 2410CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3hwc s ASN 2411N -1.12 7.29 0.08 6.41 3.04 -0.96 -4.22 114.94 125.46 3hwc s ASN 2411Ca 0.21 2.01 0.02 0.00 0.04 0.00 0.00 52.86 55.14 3hwc s ASN 2411Cb 0.13 -2.60 -0.01 0.00 -1.54 0.00 0.00 41.25 37.23 3hwc s ASN 2411CO 0.19 -0.11 0.07 0.61 -3.04 0.00 0.00 177.10 174.82 3hwc n GLY 2412N 0.91 3.66 0.07 1.21 0.00 -1.26 -4.99 105.19 104.79 3hwc n GLY 2412Ca 0.01 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.39 3hwc n GLY 2412CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hwc n PRO 2413N -0.15 0.06 -0.03 1.61 -0.02 -1.26 -0.92 135.00 134.29 3hwc n PRO 2413Ca 0.02 0.56 0.02 0.00 -2.02 0.00 0.00 63.50 62.07 3hwc n PRO 2413Cb 0.15 -1.70 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3hwc n PRO 2413CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hwc n LYS 2414N -1.83 2.85 0.00 -0.52 5.02 -1.26 -5.11 118.16 117.31 3hwc n LYS 2414Ca -0.01 -1.68 0.00 0.00 -2.02 0.00 0.00 58.31 54.61 3hwc n LYS 2414Cb 0.02 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3hwc n LYS 2414CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hwc n GLY 2415N -0.44 0.95 3.41 0.72 0.00 -0.10 -4.96 105.19 104.77 3hwc n GLY 2415Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 3hwc n GLY 2415CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwc n ASN 2416N -2.95 -6.22 -0.32 1.61 3.02 -1.26 -4.34 115.26 104.79 3hwc n ASN 2416Ca 0.00 -0.77 0.18 0.00 -0.03 0.00 0.00 54.58 53.96 3hwc n ASN 2416Cb 0.00 -4.39 0.38 0.00 -0.61 0.00 0.00 39.78 35.15 3hwc n ASN 2416CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3hwc h PRO 2417N -1.19 0.38 -1.04 3.52 0.11 -1.87 -0.86 132.00 131.04 3hwc h PRO 2417Ca -0.56 -0.02 0.27 0.00 0.11 0.00 0.00 66.00 65.79 3hwc h PRO 2417Cb 1.30 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 3hwc h PRO 2417CO 0.44 0.25 0.66 0.00 -0.21 0.00 0.00 178.00 179.14 3hwc h ARG 2418N 0.40 0.42 -0.12 1.05 2.47 -1.90 -0.98 114.38 115.72 3hwc h ARG 2418Ca 0.64 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.33 3hwc h ARG 2418Cb 1.31 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 3hwc h ARG 2418CO -0.56 0.28 0.04 0.93 0.56 0.00 0.00 179.97 181.22 3hwc h GLU 2419N 0.43 0.16 -0.27 0.04 5.08 -1.50 -1.71 114.58 116.81 3hwc h GLU 2419Ca 0.62 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.96 3hwc h GLU 2419Cb 1.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 3hwc h GLU 2419CO -0.36 0.14 0.12 -0.09 -1.00 0.00 0.00 179.01 177.82 3hwc h ARG 2420N 0.16 0.39 -0.25 2.33 9.65 -1.33 -0.93 114.38 124.40 3hwc h ARG 2420Ca 0.04 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 3hwc h ARG 2420Cb 0.04 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 3hwc h ARG 2420CO -0.00 0.40 0.01 0.28 2.80 0.00 0.00 179.97 183.46 3hwc h VAL 2421N 0.29 1.25 -0.47 0.20 2.07 -1.53 0.06 116.25 118.12 3hwc h VAL 2421Ca 0.09 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3hwc h VAL 2421Cb 0.15 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3hwc h VAL 2421CO -0.01 0.27 0.07 1.56 0.02 0.00 0.00 177.57 179.49 3hwc h GLN 2422N 0.21 0.20 -0.12 1.57 4.20 -1.21 0.20 115.11 120.16 3hwc h GLN 2422Ca 0.07 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3hwc h GLN 2422Cb 0.39 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hwc h GLN 2422CO 0.01 0.13 0.00 0.82 -0.67 0.00 0.00 178.83 179.12 3hwc h ILE 2423N 0.20 1.25 -0.75 2.54 2.04 -1.08 -2.92 117.51 118.80 3hwc h ILE 2423Ca 0.23 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.38 3hwc h ILE 2423Cb 0.31 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 3hwc h ILE 2423CO -0.32 0.23 0.49 1.23 0.00 0.00 0.00 178.15 179.78 3hwc h GLY 2424N -0.06 0.97 1.86 5.37 0.00 -0.42 -1.61 103.07 109.17 3hwc h GLY 2424Ca 0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3hwc h GLY 2424CO 0.01 0.19 -0.50 3.21 0.00 0.00 0.00 176.54 179.44 3hwc h ARG 2425N 0.71 0.15 -0.12 4.80 3.08 -0.52 -0.45 114.38 122.03 3hwc h ARG 2425Ca 0.34 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3hwc h ARG 2425Cb 0.38 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3hwc h ARG 2425CO -0.12 0.62 -0.14 0.28 -1.07 0.00 0.00 179.97 179.54 3hwc h VAL 2426N 0.12 1.36 -0.89 2.04 2.07 -1.13 -1.88 116.25 117.94 3hwc h VAL 2426Ca 0.00 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3hwc h VAL 2426Cb 0.93 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3hwc h VAL 2426CO 0.07 0.39 0.53 0.40 0.02 0.00 0.00 177.57 178.98 3hwc h ILE 2427N -0.08 1.25 0.41 4.57 2.04 -1.27 -1.61 117.51 122.81 3hwc h ILE 2427Ca 0.02 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3hwc h ILE 2427Cb 0.68 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3hwc h ILE 2427CO 0.03 0.26 -0.20 -0.09 0.00 0.00 0.00 178.15 178.16 3hwc h ARG 2428N 1.23 -0.53 -0.71 2.37 2.43 -1.07 -0.82 114.38 117.29 3hwc h ARG 2428Ca 0.32 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.63 3hwc h ARG 2428Cb -0.04 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 3hwc h ARG 2428CO -0.06 -0.32 0.33 -0.44 -1.51 0.00 0.00 179.97 177.97 3hwc h ASP 2429N -0.60 0.40 -0.41 -3.80 3.45 -1.19 0.38 116.42 114.66 3hwc h ASP 2429Ca -0.06 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.40 3hwc h ASP 2429Cb 0.45 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 3hwc h ASP 2429CO 0.09 0.21 -0.04 -0.07 -1.57 0.00 0.00 179.24 177.86 3hwc h LEU 2430N 0.55 0.74 0.00 1.55 4.07 -1.17 -3.11 115.31 117.93 3hwc h LEU 2430Ca 0.36 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3hwc h LEU 2430Cb 0.43 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3hwc h LEU 2430CO -0.30 0.90 -0.46 -1.22 -1.08 0.00 0.00 178.44 176.28 3hwc n TYR 2431N -4.39 0.00 -2.17 1.13 4.02 -0.32 -4.32 117.16 111.11 3hwc n TYR 2431Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.71 3hwc n TYR 2431Cb 0.32 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.68 3hwc n TYR 2431CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hwc n LEU 2432N -1.19 4.11 -3.87 7.72 4.77 0.13 -4.83 117.00 123.84 3hwc n LEU 2432Ca 0.00 -4.33 -0.11 0.00 -0.03 0.00 0.00 56.01 51.54 3hwc n LEU 2432Cb 0.00 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 3hwc n LEU 2432CO 0.00 1.84 -0.14 -0.89 -1.33 0.00 0.00 177.39 176.87 3hwc s THR 2433N -4.32 0.10 0.12 -5.08 2.01 -1.21 -4.83 115.64 102.43 3hwc s THR 2433Ca 0.45 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 3hwc s THR 2433Cb 0.39 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 3hwc s THR 2433CO 0.02 -0.43 1.65 0.44 -0.69 0.00 0.00 174.62 175.60 3hwc h ASP 2434N 3.93 -0.64 -0.81 3.53 5.19 -1.90 0.35 116.42 126.08 3hwc h ASP 2434Ca -0.31 0.09 0.12 0.00 -0.62 0.00 0.00 57.03 56.30 3hwc h ASP 2434Cb 1.19 0.26 -0.08 0.00 0.18 0.00 0.00 39.33 40.88 3hwc h ASP 2434CO 0.44 -0.29 0.42 -0.25 -3.12 0.00 0.00 179.24 176.44 3hwc h TRP 2435N -0.36 0.76 0.00 4.55 7.01 -1.87 -0.48 115.95 125.56 3hwc h TRP 2435Ca 0.06 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.97 3hwc h TRP 2435Cb 0.43 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 3hwc h TRP 2435CO -0.25 0.24 -0.55 0.78 -2.79 0.00 0.00 178.44 175.87 3hwc h GLY 2436N 0.67 0.00 0.98 2.65 0.00 -1.40 -3.25 103.07 102.71 3hwc h GLY 2436Ca 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.67 3hwc h GLY 2436CO -0.30 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 174.91 3hwc h GLY 2437N 1.92 0.86 1.89 4.60 0.00 0.72 -2.73 103.07 110.33 3hwc h GLY 2437Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3hwc h GLY 2437CO 0.07 0.59 0.00 -0.96 0.00 0.00 0.00 176.54 176.24 3hwc n ARG 2438N -4.38 0.01 0.08 4.80 -4.01 -0.87 -1.59 116.66 110.70 3hwc n ARG 2438Ca 0.00 0.39 0.13 0.00 -1.04 0.00 0.00 57.85 57.33 3hwc n ARG 2438Cb 0.30 -1.50 0.34 0.00 -3.04 0.00 0.00 32.46 28.56 3hwc n ARG 2438CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3hwc n GLN 2439N -1.45 0.24 0.00 2.89 6.02 -1.03 -0.65 117.38 123.41 3hwc n GLN 2439Ca 0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3hwc n GLN 2439Cb 0.04 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.57 3hwc n GLN 2439CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hwc n PHE 2440N -2.12 0.00 -0.19 1.08 0.99 -0.62 -4.38 117.46 112.22 3hwc n PHE 2440Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.57 3hwc n PHE 2440Cb 0.42 -0.50 0.14 0.00 -1.00 0.00 0.00 39.48 38.54 3hwc n PHE 2440CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 3hwc n MET 2441N -1.99 -0.04 0.00 -1.08 1.56 -1.20 -2.29 117.12 112.07 3hwc n MET 2441Ca 0.00 0.81 0.00 0.00 -0.27 0.00 0.00 57.70 58.24 3hwc n MET 2441Cb 0.00 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 34.10 3hwc n MET 2441CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3hwc n PHE 2442N -4.71 0.00 -2.25 1.12 3.01 0.18 -3.10 117.46 111.71 3hwc n PHE 2442Ca 0.12 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.22 3hwc n PHE 2442Cb 0.37 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.81 3hwc n PHE 2442CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hwc s GLU 2443N -0.74 2.92 0.00 -1.08 0.41 -0.97 -4.07 118.70 115.17 3hwc s GLU 2443Ca 0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 3hwc s GLU 2443Cb 0.00 -4.82 0.00 0.00 -1.78 0.00 0.00 34.13 27.53 3hwc s GLU 2443CO 0.00 -2.75 0.00 -1.71 -0.49 0.00 0.00 175.26 170.31 3hwc n ASN 2444N 11.74 0.00 0.10 -0.19 5.15 -1.18 -4.79 115.26 126.10 3hwc n ASN 2444Ca 0.27 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.37 3hwc n ASN 2444Cb 0.49 0.33 0.46 0.00 -0.53 0.00 0.00 39.78 40.53 3hwc n ASN 2444CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 3hwc n PHE 2445N -2.03 0.69 0.30 1.20 1.16 -1.25 -2.35 117.46 115.18 3hwc n PHE 2445Ca 0.00 0.25 0.18 0.00 -1.87 0.00 0.00 57.45 56.01 3hwc n PHE 2445Cb 0.00 -0.91 0.95 0.00 -1.61 0.00 0.00 39.48 37.91 3hwc n PHE 2445CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 3hwc h ASN 2446N 0.00 0.00 0.00 5.98 4.21 -1.84 -3.42 115.58 120.51 3hwc h ASN 2446Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hwc h ASN 2446Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3hwc h ASN 2446CO 0.00 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 3hwc n GLY 2447N -0.82 -0.13 2.82 2.83 0.00 -1.05 -5.10 105.19 103.74 3hwc n GLY 2447Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3hwc n GLY 2447CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hwc n THR 2448N -1.86-11.00 0.00 2.61 -1.04 -0.99 -3.79 114.28 98.22 3hwc n THR 2448Ca 0.00 1.36 0.00 0.00 -2.04 0.00 0.00 64.05 63.37 3hwc n THR 2448Cb 0.00 -6.81 0.00 0.00 -1.82 0.00 0.00 70.33 61.70 3hwc n THR 2448CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hwc n PRO 2449N 0.30 0.00 -0.26 -2.82 -0.02 -1.26 -1.01 135.00 129.93 3hwc n PRO 2449Ca 0.04 0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.78 3hwc n PRO 2449Cb 0.23 -0.65 0.13 0.00 -0.02 0.00 0.00 33.50 33.19 3hwc n PRO 2449CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3hwc n LEU 2450N -0.42 -0.22 0.00 2.45 -0.00 -1.26 -0.64 117.00 116.91 3hwc n LEU 2450Ca 0.00 1.23 0.00 0.00 -0.00 0.00 0.00 56.01 57.24 3hwc n LEU 2450Cb 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 3hwc n LEU 2450CO 0.00 -1.20 0.29 0.49 -0.00 0.00 0.00 177.39 176.97 3hwc n PHE 2451N -5.13 0.00 0.35 1.47 0.99 -0.85 -4.13 117.46 110.16 3hwc n PHE 2451Ca 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.41 3hwc n PHE 2451Cb 0.40 -0.08 -0.09 0.00 -1.00 0.00 0.00 39.48 38.72 3hwc n PHE 2451CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hwc h ALA 2452N -1.99 -0.87 -0.86 4.37 0.00 -0.36 -3.30 119.26 116.25 3hwc h ALA 2452Ca 0.00 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 54.93 3hwc h ALA 2452Cb 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 3hwc h ALA 2452CO 0.00 -0.94 0.20 -0.39 0.00 0.00 0.00 179.25 178.12 3hwc h VAL 2453N -0.95 0.33 0.00 0.00 -1.51 -1.06 0.93 116.25 113.98 3hwc h VAL 2453Ca -0.09 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3hwc h VAL 2453Cb 0.69 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 3hwc h VAL 2453CO 0.15 0.04 -0.13 0.33 -1.23 0.00 0.00 177.57 176.72 3hwc n PHE 2454N -5.24 0.10 1.27 5.19 -0.00 -1.26 -0.02 117.46 117.51 3hwc n PHE 2454Ca 0.20 0.03 0.13 0.00 -0.00 0.00 0.00 57.45 57.81 3hwc n PHE 2454Cb 0.64 -0.49 0.44 0.00 -0.00 0.00 0.00 39.48 40.07 3hwc n PHE 2454CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hwc n ALA 2455N -1.54 3.00 -0.21 3.13 0.00 0.29 -3.94 120.51 121.25 3hwc n ALA 2455Ca 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.17 3hwc n ALA 2455Cb 0.35 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.63 3hwc n ALA 2455CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwc n ALA 2456N -0.81 2.02 -0.06 0.00 0.00 0.86 -4.51 120.51 118.01 3hwc n ALA 2456Ca 0.12 -1.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.21 3hwc n ALA 2456Cb 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3hwc n ALA 2456CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hwc n THR 2457N -0.64 1.35 0.81 0.00 -2.24 0.96 -4.56 114.28 109.97 3hwc n THR 2457Ca 0.03 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3hwc n THR 2457Cb 0.32 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 3hwc n THR 2457CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3hwc n MET 2458N -4.12 0.81 -0.12 -0.78 2.81 -1.25 -0.55 117.12 113.91 3hwc n MET 2458Ca -0.17 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.48 3hwc n MET 2458Cb 0.47 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.52 3hwc n MET 2458CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3hwc n THR 2459N 0.17 1.52 0.61 2.03 5.66 -1.26 -4.59 114.28 118.43 3hwc n THR 2459Ca 0.00 -0.20 0.06 0.00 -3.05 0.00 0.00 64.05 60.87 3hwc n THR 2459Cb 0.23 -2.00 -0.08 0.00 -1.55 0.00 0.00 70.33 66.94 3hwc n THR 2459CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hwc n ARG 2460N -4.35 2.55 -4.59 1.09 1.74 -1.20 -5.03 116.66 106.86 3hwc n ARG 2460Ca -0.42 -0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.39 3hwc n ARG 2460Cb 0.76 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.97 3hwc n ARG 2460CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hwc s ASP 2461N -2.29 3.39 -0.31 0.55 1.01 0.28 -5.13 116.67 114.17 3hwc s ASP 2461Ca 0.05 -1.48 0.03 0.00 0.71 0.00 0.00 52.55 51.86 3hwc s ASP 2461Cb 0.10 0.03 0.09 0.00 1.01 0.00 0.00 42.92 44.15 3hwc s ASP 2461CO 0.55 -0.66 0.01 -0.62 0.21 0.00 0.00 175.17 174.66 3hwc s ASP 2462N -3.68 4.58 -0.75 0.27 -1.08 -1.26 -3.99 116.67 110.76 3hwc s ASP 2462Ca 0.27 -1.88 -0.01 0.00 -0.52 0.00 0.00 52.55 50.41 3hwc s ASP 2462Cb 0.07 -1.52 0.37 0.00 -1.46 0.00 0.00 42.92 40.37 3hwc s ASP 2462CO 0.13 -0.33 1.86 0.23 0.52 0.00 0.00 175.17 177.58 3hwc n MET 2463N 4.36 2.88 -4.64 4.34 2.81 -1.26 -4.16 117.12 121.45 3hwc n MET 2463Ca -0.02 -3.68 -0.29 0.00 -1.81 0.00 0.00 57.70 51.90 3hwc n MET 2463Cb 0.42 -2.27 -0.10 0.00 -0.71 0.00 0.00 33.22 30.57 3hwc n MET 2463CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hwc s SER 2464N -1.62 3.71 0.66 7.83 1.04 -1.26 -4.99 113.70 119.07 3hwc s SER 2464Ca 0.52 -1.49 0.39 0.00 0.48 0.00 0.00 55.95 55.85 3hwc s SER 2464Cb 0.44 0.02 2.14 0.00 0.10 0.00 0.00 66.02 68.72 3hwc s SER 2464CO -0.34 -0.64 2.23 0.00 0.98 0.00 0.00 173.24 175.48 3hwc h ALA 2465N 1.67 1.18 0.00 5.32 0.00 -1.96 0.12 119.26 125.58 3hwc h ALA 2465Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hwc h ALA 2465Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3hwc h ALA 2465CO 0.76 -0.11 -0.68 0.00 0.00 0.00 0.00 179.25 179.22 3hwc n ALA 2466N -2.06 3.28 -1.00 0.00 0.00 -1.26 -4.15 120.51 115.32 3hwc n ALA 2466Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3hwc n ALA 2466Cb 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3hwc n ALA 2466CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwc n GLY 2467N 1.40 -1.29 0.23 0.00 0.00 0.40 -4.88 105.19 101.06 3hwc n GLY 2467Ca 0.04 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.47 3hwc n GLY 2467CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hwc h THR 2468N -0.96 1.14 0.00 2.61 1.35 -1.82 -2.13 112.91 113.11 3hwc h THR 2468Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3hwc h THR 2468Cb 0.00 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3hwc h THR 2468CO 0.00 0.19 0.00 -1.22 -0.25 0.00 0.00 175.52 174.24 3hwc n TYR 2469N -4.31 0.00 0.10 4.73 4.02 -1.26 -3.47 117.16 116.97 3hwc n TYR 2469Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 3hwc n TYR 2469Cb 0.25 -0.25 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3hwc n TYR 2469CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3hwc h GLY 2470N 4.60 0.00 0.86 2.72 0.00 -1.54 -3.39 103.07 106.32 3hwc h GLY 2470Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3hwc h GLY 2470CO 0.00 0.00 -0.41 1.70 0.00 0.00 0.00 176.54 177.83 3hwc h LYS 2471N 0.00 -1.11 0.30 4.80 3.64 -1.70 -2.10 116.57 120.41 3hwc h LYS 2471Ca -0.06 0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3hwc h LYS 2471Cb 1.32 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 3hwc h LYS 2471CO 0.03 -0.74 -0.14 0.35 -2.27 0.00 0.00 179.45 176.68 3hwc h PHE 2472N -1.18 -0.37 -0.63 1.91 -0.00 -1.81 -1.64 116.94 113.22 3hwc h PHE 2472Ca -0.12 -0.01 0.05 0.00 -0.00 0.00 0.00 57.97 57.90 3hwc h PHE 2472Cb 0.88 0.12 -0.05 0.00 -0.00 0.00 0.00 35.95 36.90 3hwc h PHE 2472CO 0.03 -0.21 0.34 0.00 -0.00 0.00 0.00 178.31 178.47 3hwc h ALA 2473N 0.27 0.83 -0.35 2.41 0.00 -1.76 -0.99 119.26 119.67 3hwc h ALA 2473Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hwc h ALA 2473Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hwc h ALA 2473CO 0.07 0.02 0.23 0.77 0.00 0.00 0.00 179.25 180.34 3hwc h SER 2474N 0.64 0.40 -0.54 0.00 0.02 -1.17 0.68 113.55 113.59 3hwc h SER 2474Ca 0.28 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3hwc h SER 2474Cb 0.16 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3hwc h SER 2474CO -0.17 0.29 0.35 -0.61 -1.14 0.00 0.00 176.83 175.55 3hwc h GLN 2475N 0.47 0.69 -0.33 3.45 4.15 -0.97 0.35 115.11 122.91 3hwc h GLN 2475Ca 0.13 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 3hwc h GLN 2475Cb -0.05 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3hwc h GLN 2475CO -0.03 0.46 -0.09 0.28 -1.93 0.00 0.00 178.83 177.52 3hwc h VAL 2476N 0.71 1.23 -0.00 2.39 2.07 -0.69 -2.29 116.25 119.66 3hwc h VAL 2476Ca 0.20 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3hwc h VAL 2476Cb -0.05 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3hwc h VAL 2476CO -0.06 0.33 -0.21 0.00 0.02 0.00 0.00 177.57 177.65 3hwc n GLY 2478N 1.38 0.37 3.70 0.00 0.00 0.07 -5.05 105.19 105.66 3hwc n GLY 2478Ca 0.11 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 3hwc n GLY 2478CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwc s ILE 2479N -2.01 4.51 0.41 -0.61 1.01 0.10 -5.00 121.20 119.60 3hwc s ILE 2479Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3hwc s ILE 2479Cb 0.00 -2.92 -0.10 0.00 0.01 0.00 0.00 42.46 39.45 3hwc s ILE 2479CO 0.00 0.59 1.47 -1.61 0.00 0.00 0.00 174.94 175.39 3hwc s GLU 2480N -0.78 3.94 -0.08 2.79 2.02 -1.26 -4.07 118.70 121.26 3hwc s GLU 2480Ca 0.12 2.52 0.01 0.00 0.02 0.00 0.00 54.97 57.64 3hwc s GLU 2480Cb -0.12 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.28 3hwc s GLU 2480CO 0.02 -0.65 -0.09 0.12 0.02 0.00 0.00 175.26 174.69 3hwc s PHE 2481N -1.15 1.31 0.00 1.61 5.36 -1.26 -5.01 117.98 118.84 3hwc s PHE 2481Ca 0.56 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 3hwc s PHE 2481Cb -0.46 -1.04 0.00 0.00 -0.34 0.00 0.00 43.02 41.19 3hwc s PHE 2481CO 0.61 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 174.44