#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hyb s LYS 2002N 0.00 3.82 0.18 0.03 1.02 -1.26 -1.75 119.74 121.77 2hyb s LYS 2002Ca 0.00 -0.24 0.09 0.00 0.02 0.00 0.00 55.97 55.84 2hyb s LYS 2002Cb 0.00 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2hyb s LYS 2002CO 0.00 0.47 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.74 2hyb s PHE 2003N -0.14 2.64 -0.16 3.18 0.08 0.11 -0.07 117.98 123.62 2hyb s PHE 2003Ca 0.09 -0.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 2hyb s PHE 2003Cb -0.12 -1.29 0.05 0.00 -0.57 0.00 0.00 43.02 41.09 2hyb s PHE 2003CO 0.01 0.51 0.04 0.00 -0.10 0.00 0.00 175.22 175.68 2hyb s ALA 2004N -1.70 0.81 -0.15 5.36 0.00 0.28 -0.31 121.76 126.05 2hyb s ALA 2004Ca 0.25 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.65 2hyb s ALA 2004Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 2hyb s ALA 2004CO 0.15 -1.02 0.09 -0.51 0.00 0.00 0.00 175.76 174.47 2hyb s LEU 2005N 1.94 4.03 -0.06 0.00 1.43 -1.00 -0.16 118.68 124.87 2hyb s LEU 2005Ca 0.01 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 2hyb s LEU 2005Cb -0.16 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2hyb s LEU 2005CO -0.07 0.28 -0.23 -1.58 0.23 0.00 0.00 176.35 174.98 2hyb s GLN 2006N -0.29 2.51 -0.18 1.70 0.74 -0.32 -1.12 119.66 122.70 2hyb s GLN 2006Ca 0.09 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.67 2hyb s GLN 2006Cb -0.12 -2.08 0.04 0.00 1.10 0.00 0.00 33.01 31.95 2hyb s GLN 2006CO 0.01 0.31 -0.10 0.42 -0.55 0.00 0.00 175.29 175.38 2hyb s ILE 2007N -0.01 1.53 -2.68 -2.34 1.01 -0.62 -0.87 121.20 117.22 2hyb s ILE 2007Ca -0.07 -0.84 0.24 0.00 0.00 0.00 0.00 60.65 59.98 2hyb s ILE 2007Cb -0.14 -1.58 0.35 0.00 0.01 0.00 0.00 42.46 41.10 2hyb s ILE 2007CO 0.05 0.24 1.41 0.59 0.00 0.00 0.00 174.94 177.22 2hyb n ASN 2008N 4.74 2.80 -4.26 3.58 3.02 -0.57 -1.99 115.26 122.59 2hyb n ASN 2008Ca -0.15 -1.90 -0.16 0.00 -0.03 0.00 0.00 54.58 52.35 2hyb n ASN 2008Cb 0.48 -0.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.45 2hyb n ASN 2008CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2hyb s GLU 2009N -1.81 1.08 1.00 3.52 0.41 -1.26 -3.33 118.70 118.31 2hyb s GLU 2009Ca 0.33 -1.41 -0.12 0.00 -0.41 0.00 0.00 54.97 53.36 2hyb s GLU 2009Cb 0.21 -0.75 0.19 0.00 -1.78 0.00 0.00 34.13 32.00 2hyb s GLU 2009CO 0.31 0.11 1.08 0.20 -0.49 0.00 0.00 175.26 176.47 2hyb s GLY 2010N -3.01 1.58 0.51 -1.39 0.00 -1.16 -3.89 107.32 99.95 2hyb s GLY 2010Ca 0.15 -0.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.43 2hyb s GLY 2010CO 0.02 0.35 1.09 2.56 0.00 0.00 0.00 173.10 177.13 2hyb s PRO 2011N -4.88 3.61 0.00 2.90 0.04 -1.26 -3.88 135.00 131.52 2hyb s PRO 2011Ca 0.65 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2hyb s PRO 2011Cb -0.19 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2hyb s PRO 2011CO 0.58 -0.62 0.00 0.66 0.04 0.00 0.00 177.00 177.66 2hyb n TYR 2012N -1.03 0.00 -0.26 0.56 4.02 -1.26 -4.58 117.16 114.61 2hyb n TYR 2012Ca 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.02 2hyb n TYR 2012Cb 0.51 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 39.99 2hyb n TYR 2012CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2hyb h GLN 2013N 0.00 0.58 -5.61 -0.72 5.75 -1.98 -3.42 115.11 109.70 2hyb h GLN 2013Ca 0.00 -0.03 -0.45 0.00 -0.15 0.00 0.00 58.65 58.01 2hyb h GLN 2013Cb 0.00 -0.13 -0.18 0.00 1.07 0.00 0.00 27.48 28.24 2hyb h GLN 2013CO 0.00 0.38 -0.76 -1.01 -2.65 0.00 0.00 178.83 174.79 2hyb s HIS 2014N -6.04 1.58 -0.99 3.99 3.76 -1.25 -5.04 115.29 111.31 2hyb s HIS 2014Ca -0.12 -0.53 0.24 0.00 -0.15 0.00 0.00 55.06 54.49 2hyb s HIS 2014Cb 0.19 -0.80 1.02 0.00 1.11 0.00 0.00 32.58 34.10 2hyb s HIS 2014CO 0.77 0.23 1.77 0.94 -0.85 0.00 0.00 174.74 177.60 2hyb n GLN 2015N 0.32 0.01 0.00 1.40 7.27 -1.26 -4.28 117.38 120.84 2hyb n GLN 2015Ca -0.14 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.03 2hyb n GLN 2015Cb 0.57 -1.51 0.00 0.00 2.41 0.00 0.00 30.24 31.71 2hyb n GLN 2015CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2hyb n ALA 2016N -1.51 -0.02 -0.30 1.69 0.00 -1.26 -1.32 120.51 117.78 2hyb n ALA 2016Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2hyb n ALA 2016Cb 0.28 0.47 0.30 0.00 0.00 0.00 0.00 19.45 20.51 2hyb n ALA 2016CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hyb h SER 2017N 0.00 0.01 -0.38 0.00 0.87 -1.81 0.17 113.55 112.40 2hyb h SER 2017Ca 0.00 0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2hyb h SER 2017Cb 0.00 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2hyb h SER 2017CO 0.00 -0.17 0.13 0.44 -0.53 0.00 0.00 176.83 176.71 2hyb h ASP 2018N 0.20 0.54 -0.56 6.23 3.32 -1.66 -0.89 116.42 123.60 2hyb h ASP 2018Ca 0.57 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 2hyb h ASP 2018Cb 1.15 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2hyb h ASP 2018CO -0.66 0.59 0.22 0.28 -1.72 0.00 0.00 179.24 177.94 2hyb h SER 2019N 0.47 0.78 -0.28 6.45 0.02 0.51 -0.20 113.55 121.30 2hyb h SER 2019Ca 0.12 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2hyb h SER 2019Cb 0.23 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2hyb h SER 2019CO -0.01 0.74 0.11 0.00 -1.14 0.00 0.00 176.83 176.53 2hyb h ALA 2020N 1.07 0.36 -0.72 3.77 0.00 -0.73 -0.83 119.26 122.17 2hyb h ALA 2020Ca 0.19 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2hyb h ALA 2020Cb 0.21 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 2hyb h ALA 2020CO -0.01 -0.03 0.38 -0.92 0.00 0.00 0.00 179.25 178.66 2hyb h TYR 2021N 0.30 0.68 0.00 0.00 3.20 -0.80 0.17 116.97 120.52 2hyb h TYR 2021Ca 0.09 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 2hyb h TYR 2021Cb 0.19 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2hyb h TYR 2021CO -0.00 0.27 -0.49 1.96 -1.64 0.00 0.00 178.16 178.25 2hyb h GLN 2022N 0.65 0.00 -0.20 1.82 1.08 -0.80 -1.76 115.11 115.89 2hyb h GLN 2022Ca 0.35 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.41 2hyb h GLN 2022Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2hyb h GLN 2022CO -0.25 0.49 -0.40 0.35 -0.95 0.00 0.00 178.83 178.07 2hyb h PHE 2023N 0.00 0.79 -0.02 2.96 3.57 0.26 -2.46 116.94 122.04 2hyb h PHE 2023Ca -0.00 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 2hyb h PHE 2023Cb 0.87 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 2hyb h PHE 2023CO 0.00 1.04 0.00 0.00 -2.23 0.00 0.00 178.31 177.13 2hyb h ALA 2024N 0.60 0.03 -0.76 2.41 0.00 -0.58 -1.56 119.26 119.40 2hyb h ALA 2024Ca 0.01 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2hyb h ALA 2024Cb 1.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2hyb h ALA 2024CO 0.09 -0.34 0.45 -0.22 0.00 0.00 0.00 179.25 179.23 2hyb h LYS 2025N -0.22 0.81 -0.42 0.00 3.64 -1.38 0.32 116.57 119.32 2hyb h LYS 2025Ca 0.01 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2hyb h LYS 2025Cb 0.26 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2hyb h LYS 2025CO 0.00 0.54 0.02 0.00 -2.27 0.00 0.00 179.45 177.73 2hyb h ALA 2026N 1.37 0.57 -0.44 5.00 0.00 -1.38 -1.46 119.26 122.92 2hyb h ALA 2026Ca 0.33 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2hyb h ALA 2026Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hyb h ALA 2026CO -0.17 0.34 -0.22 0.00 0.00 0.00 0.00 179.25 179.19 2hyb h ALA 2027N 0.91 0.76 -0.48 0.00 0.00 -0.70 -2.42 119.26 117.33 2hyb h ALA 2027Ca 0.12 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2hyb h ALA 2027Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2hyb h ALA 2027CO 0.02 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.69 2hyb h LEU 2028N 0.79 0.98 -1.59 0.00 3.38 -0.34 -1.51 115.31 117.02 2hyb h LEU 2028Ca 0.10 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2hyb h LEU 2028Cb 0.78 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2hyb h LEU 2028CO 0.06 1.14 0.00 -0.33 0.09 0.00 0.00 178.44 179.40 2hyb h GLU 2029N 0.81 0.00 -0.00 1.13 5.08 -1.11 -1.98 114.58 118.52 2hyb h GLU 2029Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2hyb h GLU 2029Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2hyb h GLU 2029CO 0.06 0.00 -0.34 1.63 -1.00 0.00 0.00 179.01 179.36 2hyb n LYS 2030N -2.72 0.47 0.00 2.33 5.02 -0.92 -4.92 118.16 117.42 2hyb n LYS 2030Ca -0.00 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 2hyb n LYS 2030Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2hyb n LYS 2030CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hyb n GLY 2031N 1.40 0.47 3.75 0.72 0.00 -0.74 -5.09 105.19 105.70 2hyb n GLY 2031Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2hyb n GLY 2031CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hyb s HIS 2032N -2.00 2.49 -0.11 1.61 3.76 -0.61 -4.86 115.29 115.57 2hyb s HIS 2032Ca 0.00 1.27 0.01 0.00 -0.15 0.00 0.00 55.06 56.20 2hyb s HIS 2032Cb 0.00 -3.13 -0.02 0.00 1.11 0.00 0.00 32.58 30.54 2hyb s HIS 2032CO 0.00 -2.14 -0.15 -2.00 -0.85 0.00 0.00 174.74 169.60 2hyb s GLU 2033N -4.98 3.17 -0.52 1.40 2.12 -0.72 -4.40 118.70 114.76 2hyb s GLU 2033Ca 0.62 -0.71 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 2hyb s GLU 2033Cb -0.17 -2.54 0.12 0.00 0.26 0.00 0.00 34.13 31.80 2hyb s GLU 2033CO 0.56 0.29 0.46 0.42 -0.54 0.00 0.00 175.26 176.46 2hyb s ILE 2034N 0.13 4.99 0.27 -3.70 1.01 -1.26 0.05 121.20 122.68 2hyb s ILE 2034Ca -0.07 -1.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.03 2hyb s ILE 2034Cb -0.15 -4.20 0.26 0.00 0.01 0.00 0.00 42.46 38.38 2hyb s ILE 2034CO 0.05 -0.83 1.84 0.15 0.00 0.00 0.00 174.94 176.15 2hyb h PHE 2035N 8.79 1.08 -1.53 3.97 3.57 -1.02 -3.43 116.94 128.37 2hyb h PHE 2035Ca -0.28 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.38 2hyb h PHE 2035Cb 1.09 -0.34 -0.23 0.00 2.79 0.00 0.00 35.95 39.26 2hyb h PHE 2035CO 0.70 0.47 0.63 0.50 -2.23 0.00 0.00 178.31 178.39 2hyb s ARG 2036N -6.00 0.50 -0.27 1.11 3.52 -1.22 -4.53 118.95 112.05 2hyb s ARG 2036Ca -0.12 0.06 -0.01 0.00 -0.13 0.00 0.00 55.73 55.53 2hyb s ARG 2036Cb 0.21 0.23 0.04 0.00 -1.56 0.00 0.00 34.95 33.87 2hyb s ARG 2036CO 0.80 -0.17 -0.06 0.08 -0.81 0.00 0.00 175.30 175.15 2hyb s VAL 2037N -1.39 2.71 -0.16 7.11 1.01 -0.27 -2.37 120.40 127.04 2hyb s VAL 2037Ca 0.02 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.66 2hyb s VAL 2037Cb -0.01 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2hyb s VAL 2037CO -0.02 0.06 0.03 0.12 0.00 0.00 0.00 175.10 175.29 2hyb s PHE 2038N 1.25 3.18 -0.25 5.22 2.19 -0.28 -0.55 117.98 128.74 2hyb s PHE 2038Ca -0.04 -0.02 -0.07 0.00 0.33 0.00 0.00 56.93 57.13 2hyb s PHE 2038Cb -0.18 -2.00 -0.03 0.00 -1.31 0.00 0.00 43.02 39.49 2hyb s PHE 2038CO -0.04 0.14 0.08 -0.06 1.83 0.00 0.00 175.22 177.17 2hyb s PHE 2039N 0.19 3.10 0.17 10.12 0.40 0.06 -1.59 117.98 130.43 2hyb s PHE 2039Ca 0.02 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2hyb s PHE 2039Cb -0.13 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 2hyb s PHE 2039CO 0.01 -0.32 -0.14 -0.47 0.70 0.00 0.00 175.22 175.01 2hyb s TYR 2040N 1.55 1.57 0.00 0.36 5.04 -0.84 -2.33 117.35 122.69 2hyb s TYR 2040Ca 0.06 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2hyb s TYR 2040Cb -0.15 -0.76 0.00 0.00 0.35 0.00 0.00 41.96 41.40 2hyb s TYR 2040CO 0.04 0.26 0.00 0.72 -1.34 0.00 0.00 175.55 175.23 2hyb n HIS 2041N -0.14 0.00 0.05 4.97 8.25 -1.26 -0.51 115.22 126.58 2hyb n HIS 2041Ca -0.10 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.39 2hyb n HIS 2041Cb 0.60 0.08 0.16 0.00 1.12 0.00 0.00 29.99 31.95 2hyb n HIS 2041CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2hyb n ASP 2042N -1.61 0.15 0.25 0.41 9.92 -1.23 -2.08 116.55 122.37 2hyb n ASP 2042Ca 0.00 0.53 0.16 0.00 -0.53 0.00 0.00 54.79 54.95 2hyb n ASP 2042Cb 0.00 -0.55 0.87 0.00 -0.64 0.00 0.00 41.12 40.81 2hyb n ASP 2042CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 2hyb h GLY 2043N 0.00 0.00 2.00 0.44 0.00 -0.80 -0.28 103.07 104.44 2hyb h GLY 2043Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hyb h GLY 2043CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 2hyb n VAL 2044N -3.82 0.88 1.63 4.60 0.24 -0.88 -2.10 118.33 118.88 2hyb n VAL 2044Ca -0.01 0.39 0.10 0.00 -2.04 0.00 0.00 64.34 62.78 2hyb n VAL 2044Cb 0.20 -1.35 0.61 0.00 -1.47 0.00 0.00 33.84 31.83 2hyb n VAL 2044CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2hyb n ASN 2045N -2.28 0.00 -0.24 -1.34 5.03 -0.12 -2.18 115.26 114.12 2hyb n ASN 2045Ca 0.01 -0.99 0.13 0.00 0.87 0.00 0.00 54.58 54.60 2hyb n ASN 2045Cb 0.17 0.00 0.47 0.00 -1.02 0.00 0.00 39.78 39.40 2hyb n ASN 2045CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2hyb n ASN 2046N -0.89 0.93 -0.77 6.41 3.02 -0.89 -4.08 115.26 118.98 2hyb n ASN 2046Ca 0.15 -0.89 0.12 0.00 -0.03 0.00 0.00 54.58 53.93 2hyb n ASN 2046Cb 0.07 0.06 0.13 0.00 -0.61 0.00 0.00 39.78 39.43 2hyb n ASN 2046CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hyb n SER 2047N -0.62 2.54 -4.75 6.41 3.41 -0.93 -4.68 113.62 114.99 2hyb n SER 2047Ca 0.14 -1.79 -0.40 0.00 -0.26 0.00 0.00 58.87 56.55 2hyb n SER 2047Cb 0.33 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 2hyb n SER 2047CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2hyb s THR 2048N -2.13 3.62 -1.53 6.66 -1.32 -1.26 -0.18 115.64 119.49 2hyb s THR 2048Ca 0.27 1.61 0.18 0.00 -1.21 0.00 0.00 61.69 62.53 2hyb s THR 2048Cb 0.20 -4.02 0.61 0.00 -1.51 0.00 0.00 72.50 67.78 2hyb s THR 2048CO 0.38 0.37 1.51 -2.11 -2.21 0.00 0.00 174.62 172.56 2hyb n ARG 2049N 1.37 3.04 -0.28 7.08 1.85 0.88 -4.34 116.66 126.26 2hyb n ARG 2049Ca -0.01 -2.45 0.11 0.00 -1.00 0.00 0.00 57.85 54.51 2hyb n ARG 2049Cb 0.45 -1.69 0.28 0.00 -1.05 0.00 0.00 32.46 30.45 2hyb n ARG 2049CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2hyb n LEU 2050N 1.16 3.55 -4.85 2.89 4.77 -1.26 -4.98 117.00 118.28 2hyb n LEU 2050Ca 0.22 -1.67 -0.32 0.00 -0.03 0.00 0.00 56.01 54.21 2hyb n LEU 2050Cb 0.70 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2hyb n LEU 2050CO 0.19 0.84 0.52 0.42 -1.33 0.00 0.00 177.39 178.03 2hyb s THR 2051N -1.26 4.60 -0.40 -5.08 -4.23 -1.26 -5.01 115.64 103.00 2hyb s THR 2051Ca 0.43 1.07 0.07 0.00 -1.18 0.00 0.00 61.69 62.08 2hyb s THR 2051Cb 0.23 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.65 2hyb s THR 2051CO 0.32 -0.36 0.47 0.41 -0.54 0.00 0.00 174.62 174.91 2hyb n THR 2052N -0.79 -0.85 -1.92 3.99 -1.04 -1.26 -5.11 114.28 107.30 2hyb n THR 2052Ca 0.05 -3.84 -0.34 0.00 -2.04 0.00 0.00 64.05 57.88 2hyb n THR 2052Cb 0.54 -1.87 0.03 0.00 -1.82 0.00 0.00 70.33 67.21 2hyb n THR 2052CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hyb s PRO 2053N -0.81 2.99 0.11 -2.82 0.02 -1.26 -4.95 135.00 128.28 2hyb s PRO 2053Ca 0.34 1.44 -0.36 0.00 0.02 0.00 0.00 61.00 62.44 2hyb s PRO 2053Cb 0.13 -1.97 -0.16 0.00 0.02 0.00 0.00 34.50 32.52 2hyb s PRO 2053CO -0.14 -1.11 1.35 -2.30 -0.33 0.00 0.00 177.00 174.47 2hyb n PRO 2054N -2.08 1.28 0.30 5.54 -0.02 -1.26 -4.84 135.00 133.92 2hyb n PRO 2054Ca 0.11 0.46 0.19 0.00 -2.02 0.00 0.00 63.50 62.24 2hyb n PRO 2054Cb 0.52 -2.10 0.93 0.00 -0.02 0.00 0.00 33.50 32.83 2hyb n PRO 2054CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2hyb h GLN 2055N 4.56 0.00 -0.10 -0.52 4.20 -1.95 -2.45 115.11 118.84 2hyb h GLN 2055Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2hyb h GLN 2055Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2hyb h GLN 2055CO 0.78 0.02 0.00 -0.40 -0.67 0.00 0.00 178.83 178.56 2hyb n ASP 2056N -3.17 1.23 -4.33 1.46 3.85 -1.26 -4.86 116.55 109.48 2hyb n ASP 2056Ca -0.01 -1.59 -0.17 0.00 -0.71 0.00 0.00 54.79 52.31 2hyb n ASP 2056Cb 0.19 -0.06 -0.10 0.00 -1.35 0.00 0.00 41.12 39.80 2hyb n ASP 2056CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2hyb s ASP 2057N -1.66 1.85 0.71 -1.12 3.68 -0.92 -5.13 116.67 114.08 2hyb s ASP 2057Ca 0.33 -1.21 -0.16 0.00 2.13 0.00 0.00 52.55 53.64 2hyb s ASP 2057Cb 0.17 0.00 0.02 0.00 -1.45 0.00 0.00 42.92 41.67 2hyb s ASP 2057CO 0.27 -0.50 1.25 0.00 0.13 0.00 0.00 175.17 176.32 2hyb s ARG 2058N -3.85 2.23 -0.45 4.34 3.03 -1.26 -4.78 118.95 118.21 2hyb s ARG 2058Ca 0.28 1.90 -0.10 0.00 2.03 0.00 0.00 55.73 59.84 2hyb s ARG 2058Cb 0.05 -1.83 0.10 0.00 -1.03 0.00 0.00 34.95 32.24 2hyb s ARG 2058CO 0.08 -1.80 0.32 -1.58 -1.13 0.00 0.00 175.30 171.19 2hyb s HIS 2059N -1.74 3.36 0.15 5.89 2.46 -1.26 -4.85 115.29 119.30 2hyb s HIS 2059Ca 0.78 -1.61 -0.15 0.00 0.47 0.00 0.00 55.06 54.55 2hyb s HIS 2059Cb -0.33 -3.23 0.03 0.00 -0.13 0.00 0.00 32.58 28.92 2hyb s HIS 2059CO 0.43 -0.91 1.77 0.82 -2.47 0.00 0.00 174.74 174.38 2hyb h ILE 2060N 6.06 1.15 -0.12 0.89 2.04 -1.99 -0.81 117.51 124.74 2hyb h ILE 2060Ca -0.23 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 2hyb h ILE 2060Cb 1.08 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2hyb h ILE 2060CO 0.82 0.16 -0.12 0.58 0.00 0.00 0.00 178.15 179.60 2hyb h VAL 2061N 0.60 1.35 -0.20 1.67 2.07 -1.92 -2.58 116.25 117.24 2hyb h VAL 2061Ca 0.16 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 2hyb h VAL 2061Cb 0.03 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2hyb h VAL 2061CO -0.03 0.37 -0.12 0.78 0.02 0.00 0.00 177.57 178.59 2hyb h ASN 2062N -0.09 0.31 -0.22 0.57 2.35 -1.94 -1.46 115.58 115.10 2hyb h ASN 2062Ca 0.02 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2hyb h ASN 2062Cb 0.64 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2hyb h ASN 2062CO 0.03 0.46 0.13 0.03 -1.65 0.00 0.00 177.43 176.43 2hyb h ARG 2063N 0.31 0.26 -0.21 0.81 3.08 -1.05 0.14 114.38 117.72 2hyb h ARG 2063Ca 0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2hyb h ARG 2063Cb 0.41 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2hyb h ARG 2063CO 0.02 0.17 0.09 -1.49 -1.07 0.00 0.00 179.97 177.69 2hyb h TRP 2064N 0.27 0.32 -0.77 3.04 -0.00 -1.15 -2.47 115.95 115.19 2hyb h TRP 2064Ca 0.09 -0.02 0.06 0.00 -0.00 0.00 0.00 58.89 59.01 2hyb h TRP 2064Cb -0.00 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.16 29.00 2hyb h TRP 2064CO -0.08 0.35 0.46 0.00 -0.00 0.00 0.00 178.44 179.17 2hyb h ALA 2065N 0.93 1.04 0.19 1.49 0.00 -0.92 0.14 119.26 122.13 2hyb h ALA 2065Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2hyb h ALA 2065Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hyb h ALA 2065CO -0.01 0.18 -0.09 0.93 0.00 0.00 0.00 179.25 180.26 2hyb h GLU 2066N 0.85 -0.24 -0.23 0.00 5.08 -0.59 0.22 114.58 119.66 2hyb h GLU 2066Ca 0.34 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2hyb h GLU 2066Cb 0.16 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2hyb h GLU 2066CO -0.17 -0.14 0.06 1.25 -1.00 0.00 0.00 179.01 179.01 2hyb h LEU 2067N -0.28 0.04 -0.74 1.33 5.85 -1.03 0.27 115.31 120.75 2hyb h LEU 2067Ca -0.03 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2hyb h LEU 2067Cb 0.22 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2hyb h LEU 2067CO 0.04 0.06 0.32 0.00 -0.34 0.00 0.00 178.44 178.52 2hyb h ALA 2068N 1.16 1.04 0.56 1.25 0.00 -0.46 0.22 119.26 123.02 2hyb h ALA 2068Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2hyb h ALA 2068Cb 0.09 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2hyb h ALA 2068CO -0.13 -0.16 -0.27 1.49 0.00 0.00 0.00 179.25 180.18 2hyb h GLU 2069N 0.49 -0.72 -0.35 0.00 4.57 0.84 0.55 114.58 119.95 2hyb h GLU 2069Ca 0.40 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.67 2hyb h GLU 2069Cb 0.56 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 2hyb h GLU 2069CO -0.36 -0.44 0.11 0.37 -1.18 0.00 0.00 179.01 177.50 2hyb h GLN 2070N -0.84 0.24 -0.54 1.92 4.15 0.35 -3.02 115.11 117.37 2hyb h GLN 2070Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2hyb h GLN 2070Cb 0.61 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2hyb h GLN 2070CO 0.13 0.16 0.00 0.66 -1.93 0.00 0.00 178.83 177.84 2hyb n TYR 2071N -5.04 1.22 -3.80 3.99 4.02 0.68 -4.98 117.16 113.25 2hyb n TYR 2071Ca 0.01 -0.63 -0.31 0.00 -0.01 0.00 0.00 57.90 56.96 2hyb n TYR 2071Cb 0.14 -0.21 0.02 0.00 -0.02 0.00 0.00 39.34 39.26 2hyb n TYR 2071CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2hyb n GLU 2072N 0.78 -1.89 -3.01 -0.72 1.02 0.18 -4.92 120.64 112.08 2hyb n GLU 2072Ca 0.23 0.41 -0.37 0.00 -0.02 0.00 0.00 57.16 57.41 2hyb n GLU 2072Cb 0.81 -4.14 -0.06 0.00 -0.02 0.00 0.00 31.44 28.02 2hyb n GLU 2072CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2hyb s LEU 2073N -6.72 4.38 -0.58 -4.62 1.43 -0.26 -5.02 118.68 107.30 2hyb s LEU 2073Ca 0.32 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.76 2hyb s LEU 2073Cb -0.12 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.55 2hyb s LEU 2073CO 0.88 0.04 0.76 -0.62 0.23 0.00 0.00 176.35 177.63 2hyb s ASP 2074N -1.56 6.20 -0.34 2.29 2.15 -1.26 -4.90 116.67 119.24 2hyb s ASP 2074Ca 0.43 -1.14 -0.12 0.00 0.43 0.00 0.00 52.55 52.16 2hyb s ASP 2074Cb -0.18 -2.33 -0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2hyb s ASP 2074CO 0.22 -1.14 0.21 -0.04 -0.17 0.00 0.00 175.17 174.26 2hyb s MET 2075N 3.06 3.27 0.03 4.34 -1.94 -1.26 -1.12 119.30 125.67 2hyb s MET 2075Ca 0.16 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.37 2hyb s MET 2075Cb -0.21 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 2hyb s MET 2075CO 0.09 -0.51 0.03 0.08 -0.01 0.00 0.00 175.02 174.70 2hyb s VAL 2076N 1.65 4.31 -0.18 -6.03 1.01 0.29 -1.98 120.40 119.46 2hyb s VAL 2076Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2hyb s VAL 2076Cb -0.18 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.27 2hyb s VAL 2076CO 0.08 0.29 -0.09 -0.69 0.00 0.00 0.00 175.10 174.70 2hyb s VAL 2077N -1.19 1.46 0.03 2.92 1.01 -0.35 -0.76 120.40 123.51 2hyb s VAL 2077Ca 0.23 -0.86 -0.33 0.00 0.00 0.00 0.00 61.98 61.02 2hyb s VAL 2077Cb -0.12 -1.56 -0.11 0.00 0.00 0.00 0.00 36.38 34.59 2hyb s VAL 2077CO 0.14 0.17 1.83 0.00 0.00 0.00 0.00 175.10 177.24 2hyb h VAL 2079N 4.96 1.01 -0.47 0.00 3.04 -1.53 -0.17 116.25 123.09 2hyb h VAL 2079Ca -0.48 -0.24 -0.09 0.00 -1.01 0.00 0.00 66.70 64.89 2hyb h VAL 2079Cb 1.25 0.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.76 2hyb h VAL 2079CO 0.94 0.13 -0.06 0.00 -1.01 0.00 0.00 177.57 177.56 2hyb h ALA 2080N 1.31 1.00 -0.17 3.17 0.00 -1.89 0.31 119.26 122.99 2hyb h ALA 2080Ca 0.27 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2hyb h ALA 2080Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2hyb h ALA 2080CO -0.15 0.60 -0.59 0.00 0.00 0.00 0.00 179.25 179.12 2hyb h ALA 2081N 1.17 0.67 -0.49 0.00 0.00 -1.85 -2.79 119.26 115.98 2hyb h ALA 2081Ca 0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2hyb h ALA 2081Cb 0.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2hyb h ALA 2081CO 0.03 0.70 0.08 0.00 0.00 0.00 0.00 179.25 180.06 2hyb h ALA 2082N 0.95 0.65 -0.09 0.00 0.00 -0.67 -2.18 119.26 117.92 2hyb h ALA 2082Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2hyb h ALA 2082Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2hyb h ALA 2082CO 0.11 0.37 -0.16 1.96 0.00 0.00 0.00 179.25 181.53 2hyb h GLN 2083N 0.68 0.15 0.06 0.00 4.20 -0.88 0.76 115.11 120.07 2hyb h GLN 2083Ca 0.15 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.59 2hyb h GLN 2083Cb 0.39 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2hyb h GLN 2083CO 0.01 0.32 -1.08 -0.09 -0.67 0.00 0.00 178.83 177.32 2hyb h ARG 2084N 0.14 0.21 0.00 1.46 2.43 -1.25 -3.36 114.38 114.02 2hyb h ARG 2084Ca 0.03 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 2hyb h ARG 2084Cb 0.38 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2hyb h ARG 2084CO 0.02 1.10 -1.24 0.54 -1.51 0.00 0.00 179.97 178.89 2hyb n ARG 2085N -3.55 0.39 -0.08 0.20 1.74 -0.84 -5.03 116.66 109.49 2hyb n ARG 2085Ca -0.05 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2hyb n ARG 2085Cb 0.94 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.91 2hyb n ARG 2085CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hyb n GLY 2086N 1.43 1.60 3.44 -0.13 0.00 0.25 -5.06 105.19 106.72 2hyb n GLY 2086Ca 0.02 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2hyb n GLY 2086CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hyb s ILE 2087N -2.01 4.94 -0.05 -0.61 -1.09 -0.27 -4.92 121.20 117.18 2hyb s ILE 2087Ca 0.00 -0.64 0.05 0.00 -2.23 0.00 0.00 60.65 57.83 2hyb s ILE 2087Cb 0.00 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2hyb s ILE 2087CO 0.00 -0.19 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.62 2hyb s VAL 2088N 1.63 1.74 0.06 2.92 1.01 -1.26 -4.50 120.40 122.00 2hyb s VAL 2088Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2hyb s VAL 2088Cb -0.19 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2hyb s VAL 2088CO 0.08 0.49 0.02 -0.90 0.00 0.00 0.00 175.10 174.79 2hyb n ASP 2089N 3.05 1.70 0.06 3.32 3.85 -1.26 -1.44 116.55 125.82 2hyb n ASP 2089Ca -0.18 -1.22 -0.15 0.00 -0.71 0.00 0.00 54.79 52.53 2hyb n ASP 2089Cb 0.52 0.02 -0.09 0.00 -1.35 0.00 0.00 41.12 40.22 2hyb n ASP 2089CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2hyb h GLU 2090N 0.00 -0.63 0.18 0.11 4.57 -1.98 -0.88 114.58 115.95 2hyb h GLU 2090Ca -0.04 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2hyb h GLU 2090Cb 0.14 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 2hyb h GLU 2090CO 0.07 -0.42 -0.51 0.78 -1.18 0.00 0.00 179.01 177.75 2hyb h GLY 2091N -0.65 -1.12 0.16 1.92 0.00 -1.99 -1.35 103.07 100.04 2hyb h GLY 2091Ca 0.02 0.61 0.08 0.00 0.00 0.00 0.00 47.33 48.05 2hyb h GLY 2091CO -0.35 -0.28 -0.12 0.83 0.00 0.00 0.00 176.54 176.62 2hyb h GLU 2092N -0.78 -0.02 -0.53 4.80 4.39 -1.93 0.15 114.58 120.65 2hyb h GLU 2092Ca -0.01 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.80 2hyb h GLU 2092Cb 0.77 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.34 2hyb h GLU 2092CO -0.25 -0.02 0.01 0.00 -1.16 0.00 0.00 179.01 177.60 2hyb h ALA 2093N 1.36 0.52 0.36 3.43 0.00 -0.86 0.66 119.26 124.73 2hyb h ALA 2093Ca 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2hyb h ALA 2093Cb 0.32 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hyb h ALA 2093CO -0.43 -0.38 -0.17 1.03 0.00 0.00 0.00 179.25 179.30 2hyb h SER 2094N 0.13 -0.41 -0.62 0.00 0.87 -0.18 0.16 113.55 113.50 2hyb h SER 2094Ca 0.27 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2hyb h SER 2094Cb 0.42 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2hyb h SER 2094CO -0.44 -0.17 0.20 0.03 -0.53 0.00 0.00 176.83 175.92 2hyb h ARG 2095N -0.65 1.00 0.00 2.24 3.08 -0.28 -3.05 114.38 116.73 2hyb h ARG 2095Ca -0.05 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2hyb h ARG 2095Cb 0.46 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2hyb h ARG 2095CO 0.08 0.86 -0.77 0.09 -1.07 0.00 0.00 179.97 179.17 2hyb n ASN 2096N -4.27 0.73 -2.05 7.04 5.03 0.23 -4.99 115.26 116.97 2hyb n ASN 2096Ca 0.05 -0.58 -0.07 0.00 0.87 0.00 0.00 54.58 54.86 2hyb n ASN 2096Cb 0.22 0.63 0.03 0.00 -1.02 0.00 0.00 39.78 39.64 2hyb n ASN 2096CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hyb n GLY 2097N 1.49 0.10 3.91 7.41 0.00 0.41 -5.03 105.19 113.47 2hyb n GLY 2097Ca 0.05 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2hyb n GLY 2097CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hyb s LYS 2098N -4.31 3.44 0.00 1.61 -0.14 -0.30 -5.01 119.74 115.03 2hyb s LYS 2098Ca 0.05 -0.38 0.10 0.00 -1.36 0.00 0.00 55.97 54.38 2hyb s LYS 2098Cb -0.01 -3.07 0.35 0.00 -1.68 0.00 0.00 37.83 33.43 2hyb s LYS 2098CO 0.30 0.65 1.26 -0.40 -0.76 0.00 0.00 175.35 176.40 2hyb n ASP 2099N 0.65 1.11 -3.72 2.83 5.68 -1.26 -4.75 116.55 117.08 2hyb n ASP 2099Ca -0.08 -1.91 -0.04 0.00 -0.50 0.00 0.00 54.79 52.26 2hyb n ASP 2099Cb 0.52 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.36 2hyb n ASP 2099CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hyb s ALA 2100N -1.75 -1.65 0.22 2.12 0.00 -1.26 -5.17 121.76 114.26 2hyb s ALA 2100Ca 0.18 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.44 2hyb s ALA 2100Cb 0.09 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 2hyb s ALA 2100CO 0.13 -0.99 -0.11 0.95 0.00 0.00 0.00 175.76 175.74 2hyb s THR 2101N -3.30 1.63 0.00 0.00 -4.23 -1.26 -4.80 115.64 103.68 2hyb s THR 2101Ca 0.11 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2hyb s THR 2101Cb -0.02 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2hyb s THR 2101CO 0.01 -0.53 0.09 -0.46 -0.54 0.00 0.00 174.62 173.19 2hyb n ASN 2102N -0.41 0.00 -4.78 3.99 6.94 -0.52 -5.00 115.26 115.48 2hyb n ASN 2102Ca -0.07 -1.00 -0.36 0.00 -0.02 0.00 0.00 54.58 53.13 2hyb n ASN 2102Cb 0.61 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.01 2hyb n ASN 2102CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2hyb s ILE 2103N 0.00 3.52 0.09 1.53 2.07 -0.87 -0.08 121.20 127.46 2hyb s ILE 2103Ca 0.00 1.09 -0.27 0.00 -1.41 0.00 0.00 60.65 60.06 2hyb s ILE 2103Cb 0.00 -3.52 -0.06 0.00 0.13 0.00 0.00 42.46 39.01 2hyb s ILE 2103CO 0.00 -0.07 0.83 -2.28 -1.91 0.00 0.00 174.94 171.51 2hyb s HIS 2104N -1.72 3.80 0.65 3.50 5.65 0.74 -4.48 115.29 123.43 2hyb s HIS 2104Ca 0.63 1.61 0.34 0.00 0.25 0.00 0.00 55.06 57.89 2hyb s HIS 2104Cb -0.23 -2.89 1.84 0.00 -1.18 0.00 0.00 32.58 30.13 2hyb s HIS 2104CO 0.27 0.30 2.07 -1.00 -0.65 0.00 0.00 174.74 175.73 2hyb h PRO 2105N 5.36 0.00 -0.00 2.88 0.13 -1.94 -1.31 132.00 137.11 2hyb h PRO 2105Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2hyb h PRO 2105Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2hyb h PRO 2105CO 0.70 0.00 -0.02 1.63 -0.23 0.00 0.00 178.00 180.09 2hyb n LYS 2106N -3.15 0.74 -4.33 0.86 4.76 -1.26 -4.77 118.16 111.00 2hyb n LYS 2106Ca -0.01 -0.07 -0.29 0.00 -2.87 0.00 0.00 58.31 55.08 2hyb n LYS 2106Cb 0.31 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 2hyb n LYS 2106CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2hyb s PHE 2107N -2.31 2.47 -0.00 2.13 0.40 -0.50 -4.56 117.98 115.62 2hyb s PHE 2107Ca 0.37 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2hyb s PHE 2107Cb 0.21 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 2hyb s PHE 2107CO 0.42 0.41 -0.12 -0.98 0.70 0.00 0.00 175.22 175.65 2hyb s ARG 2108N -2.28 0.97 0.26 0.44 1.70 -0.84 -4.79 118.95 114.40 2hyb s ARG 2108Ca 0.18 -0.47 -0.24 0.00 -0.47 0.00 0.00 55.73 54.73 2hyb s ARG 2108Cb -0.10 -0.94 -0.09 0.00 -0.57 0.00 0.00 34.95 33.26 2hyb s ARG 2108CO 0.10 0.25 0.83 0.42 -1.08 0.00 0.00 175.30 175.82 2hyb s ILE 2109N -0.36 4.37 0.34 4.99 1.01 -1.26 -1.21 121.20 129.07 2hyb s ILE 2109Ca 0.04 1.60 -0.17 0.00 0.00 0.00 0.00 60.65 62.12 2hyb s ILE 2109Cb -0.05 -3.98 0.06 0.00 0.01 0.00 0.00 42.46 38.50 2hyb s ILE 2109CO -0.00 0.23 0.83 -0.55 0.00 0.00 0.00 174.94 175.45 2hyb s SER 2110N -1.55 -0.01 0.59 3.58 0.15 -0.84 -4.86 113.70 110.75 2hyb s SER 2110Ca 0.45 -1.03 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 2hyb s SER 2110Cb -0.19 0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 2hyb s SER 2110CO 0.23 -1.55 0.97 -0.83 1.20 0.00 0.00 173.24 173.26 2hyb s GLY 2111N -3.12 1.61 0.53 9.45 0.00 -1.26 -1.27 107.32 113.26 2hyb s GLY 2111Ca 0.16 -0.22 0.20 0.00 0.00 0.00 0.00 44.72 44.86 2hyb s GLY 2111CO 0.10 0.02 2.10 -2.00 0.00 0.00 0.00 173.10 173.32 2hyb h LEU 2112N -0.19 0.00 -1.91 0.66 5.85 -1.97 -0.46 115.31 117.28 2hyb h LEU 2112Ca -0.45 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.49 2hyb h LEU 2112Cb 1.20 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 2hyb h LEU 2112CO 0.62 0.00 0.56 1.23 -0.34 0.00 0.00 178.44 180.51 2hyb h GLY 2113N 0.00 0.15 2.00 3.75 0.00 -2.00 0.13 103.07 107.11 2hyb h GLY 2113Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2hyb h GLY 2113CO -0.00 0.00 -0.10 1.46 0.00 0.00 0.00 176.54 177.90 2hyb h GLN 2114N 0.07 0.00 0.01 4.80 1.08 -1.45 0.60 115.11 120.22 2hyb h GLN 2114Ca 0.38 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 2hyb h GLN 2114Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2hyb h GLN 2114CO -0.03 0.10 -0.00 1.25 -0.95 0.00 0.00 178.83 179.19 2hyb h LEU 2115N 0.00 -0.01 -0.49 1.46 5.85 -0.90 -1.56 115.31 119.67 2hyb h LEU 2115Ca -0.00 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.03 2hyb h LEU 2115Cb 0.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2hyb h LEU 2115CO 0.01 0.69 0.31 0.58 -0.34 0.00 0.00 178.44 179.70 2hyb h VAL 2116N -0.71 1.14 -0.83 1.05 2.07 -1.37 -1.32 116.25 116.27 2hyb h VAL 2116Ca -0.00 -0.28 0.18 0.00 0.82 0.00 0.00 66.70 67.42 2hyb h VAL 2116Cb 0.70 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.80 2hyb h VAL 2116CO 0.00 0.13 0.35 -0.08 0.02 0.00 0.00 177.57 178.00 2hyb h GLU 2117N 0.66 0.43 -0.28 1.57 4.22 0.19 -0.97 114.58 120.39 2hyb h GLU 2117Ca 0.18 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.53 2hyb h GLU 2117Cb -0.05 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2hyb h GLU 2117CO -0.04 0.28 -0.07 0.00 -2.18 0.00 0.00 179.01 177.01 2hyb h ALA 2118N 1.62 0.39 -0.86 2.92 0.00 -0.34 -2.73 119.26 120.25 2hyb h ALA 2118Ca 0.48 -0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.29 2hyb h ALA 2118Cb 0.81 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2hyb h ALA 2118CO -0.46 0.20 0.57 0.00 0.00 0.00 0.00 179.25 179.56 2hyb h ALA 2119N 0.78 2.11 0.14 0.00 0.00 -0.13 -0.02 119.26 122.14 2hyb h ALA 2119Ca 0.07 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 2hyb h ALA 2119Cb 0.55 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2hyb h ALA 2119CO 0.03 -0.37 -1.22 0.82 0.00 0.00 0.00 179.25 178.50 2hyb h ILE 2120N 0.46 1.30 -0.07 0.00 2.04 -1.26 -3.36 117.51 116.63 2hyb h ILE 2120Ca 0.44 -2.48 -0.21 0.00 1.00 0.00 0.00 64.86 63.61 2hyb h ILE 2120Cb 1.01 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 2hyb h ILE 2120CO -0.17 0.75 -0.82 1.56 0.00 0.00 0.00 178.15 179.47 2hyb h GLN 2121N 0.19 0.50 -6.98 2.37 1.08 -1.04 -3.46 115.11 107.78 2hyb h GLN 2121Ca -0.19 -0.45 -0.46 0.00 -1.45 0.00 0.00 58.65 56.09 2hyb h GLN 2121Cb 1.91 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.43 2hyb h GLN 2121CO 0.23 1.09 0.26 0.00 -0.95 0.00 0.00 178.83 179.46 2hyb s ALA 2122N -3.53 3.14 0.19 3.87 0.00 -0.10 -4.94 121.76 120.39 2hyb s ALA 2122Ca -0.07 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2hyb s ALA 2122Cb 0.09 -3.01 0.10 0.00 0.00 0.00 0.00 23.12 20.31 2hyb s ALA 2122CO 0.87 0.11 1.46 -0.44 0.00 0.00 0.00 175.76 177.76 2hyb h ASP 2123N 1.78 0.40 -4.08 0.00 3.32 -0.81 -3.45 116.42 113.58 2hyb h ASP 2123Ca -0.48 -0.26 -0.36 0.00 0.02 0.00 0.00 57.03 55.95 2hyb h ASP 2123Cb 1.18 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 40.34 2hyb h ASP 2123CO 0.62 0.98 -0.77 -0.13 -1.72 0.00 0.00 179.24 178.23 2hyb s ARG 2124N -3.60 0.60 -0.35 3.56 1.81 -0.95 -5.02 118.95 115.00 2hyb s ARG 2124Ca -0.05 -0.35 -0.03 0.00 -1.72 0.00 0.00 55.73 53.58 2hyb s ARG 2124Cb 0.11 -0.57 0.07 0.00 -0.45 0.00 0.00 34.95 34.11 2hyb s ARG 2124CO 0.83 0.15 0.10 -1.17 -0.68 0.00 0.00 175.30 174.53 2hyb s LEU 2125N -0.39 4.52 -0.26 2.53 2.96 -1.26 -0.55 118.68 126.23 2hyb s LEU 2125Ca 0.01 -1.54 -0.09 0.00 -0.22 0.00 0.00 54.13 52.29 2hyb s LEU 2125Cb -0.04 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2hyb s LEU 2125CO -0.00 -0.39 0.13 -0.69 -1.32 0.00 0.00 176.35 174.08 2hyb s VAL 2126N 1.24 4.80 -0.15 1.68 1.01 0.78 -4.98 120.40 124.77 2hyb s VAL 2126Ca 0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 2hyb s VAL 2126Cb -0.21 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2hyb s VAL 2126CO -0.01 0.30 0.05 -0.69 0.00 0.00 0.00 175.10 174.75 2hyb s VAL 2127N 1.67 4.73 -0.23 2.92 1.01 -1.26 -1.17 120.40 128.07 2hyb s VAL 2127Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2hyb s VAL 2127Cb -0.15 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.17 2hyb s VAL 2127CO 0.07 0.51 -0.13 -0.36 0.00 0.00 0.00 175.10 175.20 2hyb s PHE 2128N -0.06 3.02 0.00 5.22 0.40 -0.05 -4.96 117.98 121.56 2hyb s PHE 2128Ca 0.06 -1.83 0.00 0.00 -0.60 0.00 0.00 56.93 54.56 2hyb s PHE 2128Cb -0.12 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.44 2hyb s PHE 2128CO 0.01 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 175.54 2hyb n GLY 2129N 4.58 5.03 0.56 4.36 0.00 -1.26 -1.51 105.19 116.94 2hyb n GLY 2129Ca -0.17 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 44.97 2hyb n GLY 2129CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66