#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3h s GLN 2002N 0.00 0.55 0.02 9.51 -0.21 -1.26 -4.57 119.66 123.70 1r3h s GLN 2002Ca 0.00 -1.12 -0.24 0.00 0.02 0.00 0.00 55.36 54.02 1r3h s GLN 2002Cb 0.00 -1.48 -0.05 0.00 1.00 0.00 0.00 33.01 32.48 1r3h s GLN 2002CO 0.00 -1.11 0.73 1.03 -2.12 0.00 0.00 175.29 173.82 1r3h s ARG 2003N 1.38 4.46 -0.00 2.91 3.00 0.33 -4.88 118.95 126.14 1r3h s ARG 2003Ca 0.14 0.99 -0.10 0.00 0.00 0.00 0.00 55.73 56.76 1r3h s ARG 2003Cb -0.20 -3.37 -0.05 0.00 0.00 0.00 0.00 34.95 31.33 1r3h s ARG 2003CO -0.15 0.27 0.32 -0.08 0.00 0.00 0.00 175.30 175.66 1r3h s THR 2004N 0.03 5.21 0.84 0.02 -1.32 -1.26 -0.11 115.64 119.05 1r3h s THR 2004Ca 0.37 0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 61.19 1r3h s THR 2004Cb -0.20 -3.60 0.09 0.00 -1.51 0.00 0.00 72.50 67.29 1r3h s THR 2004CO 0.21 0.46 1.11 -2.16 -2.21 0.00 0.00 174.62 172.04 1r3h s PRO 2005N -1.44 1.76 -0.31 7.08 0.04 -1.26 -4.23 135.00 136.65 1r3h s PRO 2005Ca 0.25 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1r3h s PRO 2005Cb -0.14 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1r3h s PRO 2005CO 0.13 -1.82 -0.00 0.15 0.04 0.00 0.00 177.00 175.50 1r3h s LYS 2006N -5.18 2.08 0.02 4.56 1.02 0.07 -4.94 119.74 117.37 1r3h s LYS 2006Ca 0.62 -1.51 -0.23 0.00 0.02 0.00 0.00 55.97 54.87 1r3h s LYS 2006Cb -0.15 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 1r3h s LYS 2006CO 0.54 -0.73 0.68 0.42 -0.92 0.00 0.00 175.35 175.34 1r3h s ILE 2007N 1.10 4.83 -0.02 2.17 1.01 -1.26 -3.35 121.20 125.68 1r3h s ILE 2007Ca -0.01 1.44 -0.02 0.00 0.00 0.00 0.00 60.65 62.05 1r3h s ILE 2007Cb -0.20 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1r3h s ILE 2007CO -0.05 0.39 0.06 -1.10 0.00 0.00 0.00 174.94 174.24 1r3h s GLN 2008N -0.09 0.13 -0.16 2.79 -0.21 -0.59 -5.01 119.66 116.53 1r3h s GLN 2008Ca 0.35 -0.02 -0.00 0.00 0.02 0.00 0.00 55.36 55.70 1r3h s GLN 2008Cb -0.19 0.06 -0.00 0.00 1.00 0.00 0.00 33.01 33.87 1r3h s GLN 2008CO 0.20 -0.02 -0.15 0.08 -2.12 0.00 0.00 175.29 173.28 1r3h s VAL 2009N -0.23 2.69 0.33 1.09 1.01 -1.26 -0.83 120.40 123.20 1r3h s VAL 2009Ca -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1r3h s VAL 2009Cb -0.02 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1r3h s VAL 2009CO 0.00 0.51 0.49 -0.72 0.00 0.00 0.00 175.10 175.38 1r3h s TYR 2010N 0.89 0.88 -0.06 5.22 -0.85 -0.07 -4.55 117.35 118.81 1r3h s TYR 2010Ca -0.04 -1.16 0.03 0.00 -0.52 0.00 0.00 57.07 55.37 1r3h s TYR 2010Cb -0.15 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1r3h s TYR 2010CO -0.01 -1.13 -0.13 -1.54 -1.52 0.00 0.00 175.55 171.22 1r3h s SER 2011N -3.19 4.14 0.64 -0.18 1.04 -1.26 0.07 113.70 114.97 1r3h s SER 2011Ca 0.28 -0.18 0.39 0.00 0.48 0.00 0.00 55.95 56.92 1r3h s SER 2011Cb -0.01 -1.00 2.17 0.00 0.10 0.00 0.00 66.02 67.28 1r3h s SER 2011CO 0.17 0.33 2.29 -0.09 0.98 0.00 0.00 173.24 176.92 1r3h h ARG 2012N 5.49 0.00 -3.96 4.02 2.43 -1.40 -3.44 114.38 117.52 1r3h h ARG 2012Ca -0.44 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1r3h h ARG 2012Cb 1.16 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 1r3h h ARG 2012CO 0.51 0.00 -0.42 -1.01 -1.51 0.00 0.00 179.97 177.54 1r3h s HIS 2013N -4.31 0.36 -0.19 2.20 3.76 -1.26 -5.01 115.29 110.84 1r3h s HIS 2013Ca -0.05 -0.77 -0.36 0.00 -0.15 0.00 0.00 55.06 53.72 1r3h s HIS 2013Cb 0.13 -0.15 -0.13 0.00 1.11 0.00 0.00 32.58 33.55 1r3h s HIS 2013CO 0.44 -0.58 1.87 -2.30 -0.85 0.00 0.00 174.74 173.33 1r3h n PRO 2014N -0.09 1.70 -2.07 8.40 -0.02 -1.26 -4.87 135.00 136.79 1r3h n PRO 2014Ca -0.11 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 1r3h n PRO 2014Cb 0.63 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1r3h n PRO 2014CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r3h s ALA 2015N 4.32 3.66 -0.10 3.55 0.00 -1.26 -5.01 121.76 126.92 1r3h s ALA 2015Ca 0.97 1.16 -0.03 0.00 0.00 0.00 0.00 51.96 54.06 1r3h s ALA 2015Cb -0.84 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 18.73 1r3h s ALA 2015CO 0.56 -0.81 0.12 -2.00 0.00 0.00 0.00 175.76 173.63 1r3h s GLU 2016N 1.65 0.01 -0.21 0.00 2.56 -1.26 -5.10 118.70 116.35 1r3h s GLU 2016Ca 0.68 0.33 -0.37 0.00 0.00 0.00 0.00 54.97 55.60 1r3h s GLU 2016Cb -0.38 -0.78 -0.14 0.00 2.00 0.00 0.00 34.13 34.83 1r3h s GLU 2016CO 0.30 -0.43 1.86 0.27 -0.56 0.00 0.00 175.26 176.70 1r3h n ASN 2017N 5.31 2.80 0.00 -1.70 6.94 -1.25 -2.90 115.26 124.46 1r3h n ASN 2017Ca -0.05 0.96 0.00 0.00 -0.02 0.00 0.00 54.58 55.47 1r3h n ASN 2017Cb 0.50 -1.25 0.00 0.00 -2.36 0.00 0.00 39.78 36.67 1r3h n ASN 2017CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r3h n GLY 2018N 4.57 1.58 3.38 4.83 0.00 -1.10 -5.01 105.19 113.44 1r3h n GLY 2018Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1r3h n GLY 2018CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r3h s LYS 2019N -0.55 0.63 0.69 1.61 -0.14 -1.14 -5.08 119.74 115.75 1r3h s LYS 2019Ca 0.00 0.55 -0.17 0.00 -1.36 0.00 0.00 55.97 54.99 1r3h s LYS 2019Cb 0.00 0.30 0.01 0.00 -1.68 0.00 0.00 37.83 36.46 1r3h s LYS 2019CO 0.00 -0.10 1.28 0.45 -0.76 0.00 0.00 175.35 176.21 1r3h s SER 2020N -0.05 4.34 0.00 2.83 0.15 -1.26 -4.20 113.70 115.51 1r3h s SER 2020Ca -0.03 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1r3h s SER 2020Cb -0.03 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1r3h s SER 2020CO 0.02 -2.18 0.00 -3.20 1.20 0.00 0.00 173.24 169.08 1r3h n ASN 2021N -2.24 0.00 -3.76 5.45 2.85 -0.67 -4.97 115.26 111.91 1r3h n ASN 2021Ca 0.15 -0.28 -0.13 0.00 -0.11 0.00 0.00 54.58 54.21 1r3h n ASN 2021Cb 0.49 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.37 1r3h n ASN 2021CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r3h s PHE 2022N -3.22 -0.18 -0.33 1.20 0.40 -1.26 -1.87 117.98 112.72 1r3h s PHE 2022Ca 0.00 0.51 -0.10 0.00 -0.60 0.00 0.00 56.93 56.74 1r3h s PHE 2022Cb 0.00 -0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.49 1r3h s PHE 2022CO 0.00 -0.16 0.17 -1.17 0.70 0.00 0.00 175.22 174.76 1r3h s LEU 2023N 0.98 4.26 -0.07 -0.37 2.96 -0.32 -0.88 118.68 125.23 1r3h s LEU 2023Ca -0.07 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 1r3h s LEU 2023Cb -0.09 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1r3h s LEU 2023CO -0.05 -0.24 0.04 0.20 -1.32 0.00 0.00 176.35 174.98 1r3h s ASN 2024N 1.60 5.51 -0.24 3.68 -0.87 0.11 -3.20 114.94 121.53 1r3h s ASN 2024Ca 0.04 0.19 0.03 0.00 -1.57 0.00 0.00 52.86 51.55 1r3h s ASN 2024Cb -0.18 -1.60 0.05 0.00 -0.02 0.00 0.00 41.25 39.51 1r3h s ASN 2024CO 0.06 0.36 -0.12 0.00 -2.57 0.00 0.00 177.10 174.83 1r3h s TYR 2026N 1.15 3.21 -0.09 0.00 5.04 -0.01 -2.22 117.35 124.44 1r3h s TYR 2026Ca -0.06 -0.05 0.02 0.00 -2.44 0.00 0.00 57.07 54.54 1r3h s TYR 2026Cb -0.19 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 1r3h s TYR 2026CO -0.06 -0.24 -0.14 0.08 -1.34 0.00 0.00 175.55 173.84 1r3h s VAL 2027N 1.73 2.98 0.13 3.14 1.01 -0.83 -1.54 120.40 127.02 1r3h s VAL 2027Ca 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1r3h s VAL 2027Cb -0.16 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1r3h s VAL 2027CO 0.10 0.56 0.23 -1.54 0.00 0.00 0.00 175.10 174.45 1r3h n SER 2028N 2.98 -0.67 -1.82 3.32 3.41 -1.21 -0.46 113.62 119.17 1r3h n SER 2028Ca -0.18 -1.56 -0.19 0.00 -0.26 0.00 0.00 58.87 56.69 1r3h n SER 2028Cb 0.52 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 65.56 1r3h n SER 2028CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r3h n GLY 2029N -0.18 1.05 3.64 5.00 0.00 -1.18 -0.75 105.19 112.76 1r3h n GLY 2029Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1r3h n GLY 2029CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r3h s PHE 2030N -2.70 2.59 -0.29 1.61 -0.12 -1.23 -4.08 117.98 113.76 1r3h s PHE 2030Ca 0.00 -0.35 -0.16 0.00 -0.05 0.00 0.00 56.93 56.37 1r3h s PHE 2030Cb 0.00 -1.37 0.18 0.00 -0.63 0.00 0.00 43.02 41.19 1r3h s PHE 2030CO 0.00 0.52 1.13 -1.58 -0.05 0.00 0.00 175.22 175.24 1r3h s HIS 2031N -2.44 -0.31 0.91 3.49 2.46 0.85 -0.27 115.29 119.97 1r3h s HIS 2031Ca 0.34 0.62 -0.12 0.00 0.47 0.00 0.00 55.06 56.37 1r3h s HIS 2031Cb -0.03 0.19 0.14 0.00 -0.13 0.00 0.00 32.58 32.75 1r3h s HIS 2031CO 0.20 -0.15 1.10 -1.25 -2.47 0.00 0.00 174.74 172.16 1r3h s PRO 2032N 1.16 1.14 0.53 2.88 0.04 -1.26 0.12 135.00 139.61 1r3h s PRO 2032Ca -0.08 0.67 0.23 0.00 0.04 0.00 0.00 61.00 61.86 1r3h s PRO 2032Cb -0.03 -1.81 1.37 0.00 0.04 0.00 0.00 34.50 34.08 1r3h s PRO 2032CO -0.12 -2.29 2.04 0.66 0.04 0.00 0.00 177.00 177.33 1r3h h SER 2033N -1.58 0.00 -0.38 6.66 4.64 -1.98 -3.41 113.55 117.50 1r3h h SER 2033Ca -0.51 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.61 1r3h h SER 2033Cb 1.30 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 1r3h h SER 2033CO 0.57 0.00 0.95 -0.67 -0.87 0.00 0.00 176.83 176.80 1r3h n ASP 2034N -4.40 0.79 -4.34 4.97 2.03 -1.26 -4.87 116.55 109.47 1r3h n ASP 2034Ca 0.06 -0.97 -0.18 0.00 0.52 0.00 0.00 54.79 54.23 1r3h n ASP 2034Cb 0.46 -1.26 -0.10 0.00 -0.72 0.00 0.00 41.12 39.50 1r3h n ASP 2034CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1r3h s ILE 2035N 9.72 1.29 -0.28 5.18 1.10 -1.26 -4.51 121.20 132.44 1r3h s ILE 2035Ca 1.08 -2.08 -0.02 0.00 -0.51 0.00 0.00 60.65 59.13 1r3h s ILE 2035Cb -0.43 -2.22 0.12 0.00 0.15 0.00 0.00 42.46 40.08 1r3h s ILE 2035CO 0.28 -0.45 0.26 -0.70 -2.11 0.00 0.00 174.94 172.21 1r3h s GLU 2036N -3.78 0.28 -0.13 3.50 2.12 -0.85 -5.03 118.70 114.82 1r3h s GLU 2036Ca 0.25 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 1r3h s GLU 2036Cb 0.04 -0.81 -0.02 0.00 0.26 0.00 0.00 34.13 33.60 1r3h s GLU 2036CO 0.07 -0.99 -0.10 0.08 -0.54 0.00 0.00 175.26 173.79 1r3h s VAL 2037N 2.31 3.32 0.05 3.70 1.01 -1.26 -0.79 120.40 128.74 1r3h s VAL 2037Ca 0.09 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1r3h s VAL 2037Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1r3h s VAL 2037CO -0.31 0.52 -0.25 -1.81 0.00 0.00 0.00 175.10 173.25 1r3h s ASP 2038N 0.26 2.95 -0.20 3.32 1.01 0.28 -4.96 116.67 119.33 1r3h s ASP 2038Ca -0.07 -0.58 -0.10 0.00 0.71 0.00 0.00 52.55 52.52 1r3h s ASP 2038Cb -0.15 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.47 1r3h s ASP 2038CO 0.05 0.22 0.12 -0.76 0.21 0.00 0.00 175.17 175.01 1r3h s LEU 2039N -1.26 4.16 0.11 1.23 1.43 -1.26 0.10 118.68 123.19 1r3h s LEU 2039Ca 0.10 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1r3h s LEU 2039Cb -0.10 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1r3h s LEU 2039CO 0.02 0.18 0.06 -0.76 0.23 0.00 0.00 176.35 176.08 1r3h s LEU 2040N 0.36 3.66 -0.32 1.79 1.43 0.19 -0.51 118.68 125.28 1r3h s LEU 2040Ca 0.07 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1r3h s LEU 2040Cb -0.11 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.86 1r3h s LEU 2040CO -0.02 0.15 0.06 -0.75 0.23 0.00 0.00 176.35 176.02 1r3h s LYS 2041N -2.56 1.13 -1.26 1.70 2.20 0.50 -2.75 119.74 118.70 1r3h s LYS 2041Ca 0.28 -1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 54.45 1r3h s LYS 2041Cb -0.11 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1r3h s LYS 2041CO 0.21 -0.93 1.07 0.09 -0.36 0.00 0.00 175.35 175.43 1r3h n ASN 2042N 4.57 -3.75 0.00 1.43 3.02 0.49 -2.18 115.26 118.85 1r3h n ASN 2042Ca -0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1r3h n ASN 2042Cb 0.42 -5.09 0.00 0.00 -0.61 0.00 0.00 39.78 34.51 1r3h n ASN 2042CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r3h n GLY 2043N -1.48 3.01 3.76 7.41 0.00 -1.26 -5.00 105.19 111.64 1r3h n GLY 2043Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1r3h n GLY 2043CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r3h s GLU 2044N -0.18 4.18 -0.20 1.61 -1.05 -0.93 -4.96 118.70 117.18 1r3h s GLU 2044Ca 0.00 0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.92 1r3h s GLU 2044Cb 0.00 -3.36 -0.03 0.00 -0.44 0.00 0.00 34.13 30.31 1r3h s GLU 2044CO 0.00 0.36 1.54 0.50 0.95 0.00 0.00 175.26 178.61 1r3h s ARG 2045N -0.01 3.91 0.51 -4.83 3.52 -1.26 0.19 118.95 120.97 1r3h s ARG 2045Ca 0.24 1.69 -0.23 0.00 -0.13 0.00 0.00 55.73 57.29 1r3h s ARG 2045Cb -0.15 -3.98 -0.06 0.00 -1.56 0.00 0.00 34.95 29.19 1r3h s ARG 2045CO 0.10 -1.14 1.39 0.42 -0.81 0.00 0.00 175.30 175.26 1r3h s ILE 2046N 4.74 2.07 -0.06 4.11 1.01 0.33 -4.90 121.20 128.51 1r3h s ILE 2046Ca 0.68 0.06 -0.21 0.00 0.00 0.00 0.00 60.65 61.18 1r3h s ILE 2046Cb -0.25 -3.03 -0.30 0.00 0.01 0.00 0.00 42.46 38.89 1r3h s ILE 2046CO 0.27 0.00 0.83 -0.08 0.00 0.00 0.00 174.94 175.97 1r3h h GLU 2047N 1.83 0.27 -4.41 2.79 4.81 -1.93 -3.44 114.58 114.50 1r3h h GLU 2047Ca -0.51 -0.46 -0.71 0.00 -0.13 0.00 0.00 59.36 57.54 1r3h h GLU 2047Cb 1.29 0.17 -0.30 0.00 0.63 0.00 0.00 28.75 30.54 1r3h h GLU 2047CO 0.59 1.22 -0.46 0.21 -0.73 0.00 0.00 179.01 179.84 1r3h s LYS 2048N -2.42 2.42 -0.01 1.92 2.36 -1.26 -5.06 119.74 117.68 1r3h s LYS 2048Ca -0.15 -1.65 0.07 0.00 -2.55 0.00 0.00 55.97 51.69 1r3h s LYS 2048Cb 0.01 -3.77 -0.02 0.00 -1.05 0.00 0.00 37.83 32.99 1r3h s LYS 2048CO 0.81 -1.06 -0.24 0.08 1.55 0.00 0.00 175.35 176.49 1r3h s VAL 2049N 1.33 2.28 0.21 4.02 1.01 -1.26 -4.82 120.40 123.17 1r3h s VAL 2049Ca 0.05 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.01 1r3h s VAL 2049Cb -0.24 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1r3h s VAL 2049CO -0.00 0.54 0.12 -1.61 0.00 0.00 0.00 175.10 174.15 1r3h s GLU 2050N -0.76 2.77 0.02 2.72 2.02 -0.13 -4.92 118.70 120.42 1r3h s GLU 2050Ca 0.11 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 1r3h s GLU 2050Cb -0.10 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 1r3h s GLU 2050CO 0.00 0.43 0.02 -3.38 0.02 0.00 0.00 175.26 172.36 1r3h s HIS 2051N -1.97 0.23 0.65 1.61 -3.43 -1.26 0.55 115.29 111.68 1r3h s HIS 2051Ca 0.31 -0.50 -0.10 0.00 -0.80 0.00 0.00 55.06 53.98 1r3h s HIS 2051Cb -0.09 -0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 1r3h s HIS 2051CO 0.23 -0.26 1.02 -1.54 -2.00 0.00 0.00 174.74 172.19 1r3h s SER 2052N -1.70 5.64 0.28 7.38 1.04 -0.07 -5.00 113.70 121.28 1r3h s SER 2052Ca -0.12 1.05 -0.29 0.00 0.48 0.00 0.00 55.95 57.07 1r3h s SER 2052Cb -0.06 -1.97 -0.10 0.00 0.10 0.00 0.00 66.02 63.99 1r3h s SER 2052CO -0.02 -1.16 1.10 -1.81 0.98 0.00 0.00 173.24 172.33 1r3h s ASP 2053N -4.31 7.25 -0.39 7.02 1.01 -1.26 -4.72 116.67 121.27 1r3h s ASP 2053Ca 0.56 2.26 -0.28 0.00 0.71 0.00 0.00 52.55 55.80 1r3h s ASP 2053Cb -0.11 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 1r3h s ASP 2053CO 0.50 -0.16 2.00 -0.22 0.21 0.00 0.00 175.17 177.51 1r3h s LEU 2054N -1.50 3.43 0.18 1.23 2.96 -1.26 -4.95 118.68 118.77 1r3h s LEU 2054Ca 0.45 1.20 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 1r3h s LEU 2054Cb -0.32 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 1r3h s LEU 2054CO 0.40 -2.10 -0.04 -0.55 -1.32 0.00 0.00 176.35 172.75 1r3h s SER 2055N 7.99 4.52 -0.05 3.68 0.15 -1.25 -5.06 113.70 123.69 1r3h s SER 2055Ca 0.85 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.06 1r3h s SER 2055Cb -0.22 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.21 1r3h s SER 2055CO 0.30 0.09 -0.24 0.72 1.20 0.00 0.00 173.24 175.31 1r3h s PHE 2056N -1.76 2.44 0.95 3.44 -0.12 -1.26 -2.20 117.98 119.47 1r3h s PHE 2056Ca 0.27 -0.59 -0.14 0.00 -0.05 0.00 0.00 56.93 56.41 1r3h s PHE 2056Cb -0.09 -1.58 0.22 0.00 -0.63 0.00 0.00 43.02 40.94 1r3h s PHE 2056CO 0.17 -0.13 0.50 0.43 -0.05 0.00 0.00 175.22 176.14 1r3h n SER 2057N 2.76 -3.15 0.22 1.98 7.64 0.94 -4.78 113.62 119.23 1r3h n SER 2057Ca -0.17 -0.50 0.15 0.00 1.01 0.00 0.00 58.87 59.36 1r3h n SER 2057Cb 0.52 -0.67 0.60 0.00 -1.01 0.00 0.00 64.21 63.64 1r3h n SER 2057CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1r3h h LYS 2058N 0.00 0.00 -0.46 1.43 1.79 -2.00 -2.96 116.57 114.36 1r3h h LYS 2058Ca -0.23 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.04 1r3h h LYS 2058Cb 0.76 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.29 1r3h h LYS 2058CO 0.14 0.00 0.07 -0.40 -1.08 0.00 0.00 179.45 178.18 1r3h n ASP 2059N -2.74 3.06 0.00 0.86 5.75 -1.26 -4.93 116.55 117.28 1r3h n ASP 2059Ca 0.01 -3.59 0.00 0.00 -0.01 0.00 0.00 54.79 51.20 1r3h n ASP 2059Cb 0.28 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1r3h n ASP 2059CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1r3h n TRP 2060N -0.97 0.00 -2.62 2.11 7.02 -1.12 -4.96 117.44 116.89 1r3h n TRP 2060Ca 0.36 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.42 1r3h n TRP 2060Cb 1.14 -0.50 -0.03 0.00 -2.42 0.00 0.00 31.31 29.50 1r3h n TRP 2060CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1r3h s SER 2061N -2.88 7.21 0.32 -0.99 1.04 -1.26 -4.70 113.70 112.44 1r3h s SER 2061Ca 0.00 1.65 -0.28 0.00 0.48 0.00 0.00 55.95 57.80 1r3h s SER 2061Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1r3h s SER 2061CO 0.00 -0.45 1.07 -0.36 0.98 0.00 0.00 173.24 174.48 1r3h s PHE 2062N 1.83 3.50 0.01 5.02 2.99 0.63 -0.04 117.98 131.92 1r3h s PHE 2062Ca 0.51 1.70 0.04 0.00 0.00 0.00 0.00 56.93 59.18 1r3h s PHE 2062Cb -0.21 -3.21 -0.01 0.00 0.00 0.00 0.00 43.02 39.59 1r3h s PHE 2062CO 0.21 -0.51 -0.13 1.52 -0.00 0.00 0.00 175.22 176.31 1r3h s TYR 2063N -1.33 1.17 0.05 0.36 -0.85 -0.94 -3.12 117.35 112.69 1r3h s TYR 2063Ca 0.49 -0.27 0.01 0.00 -0.52 0.00 0.00 57.07 56.78 1r3h s TYR 2063Cb -0.28 -0.73 -0.03 0.00 0.38 0.00 0.00 41.96 41.30 1r3h s TYR 2063CO 0.36 0.00 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.83 1r3h s LEU 2064N -0.62 2.36 -0.11 -3.49 1.43 0.40 -3.88 118.68 114.76 1r3h s LEU 2064Ca 0.04 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1r3h s LEU 2064Cb -0.06 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.21 1r3h s LEU 2064CO 0.00 -0.38 -0.08 -0.22 0.23 0.00 0.00 176.35 175.90 1r3h s LEU 2065N -2.15 1.23 -0.02 1.79 2.96 -1.26 -1.96 118.68 119.26 1r3h s LEU 2065Ca -0.04 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1r3h s LEU 2065Cb -0.03 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1r3h s LEU 2065CO -0.04 -0.11 0.10 -0.31 -1.32 0.00 0.00 176.35 174.67 1r3h s TYR 2066N 1.64 3.35 0.00 5.38 1.51 -0.94 -0.89 117.35 127.39 1r3h s TYR 2066Ca 0.04 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1r3h s TYR 2066Cb -0.13 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1r3h s TYR 2066CO -0.08 0.58 0.00 2.48 -1.11 0.00 0.00 175.55 177.42 1r3h n TYR 2067N 1.29 -0.71 0.00 2.71 4.11 0.19 -1.48 117.16 123.28 1r3h n TYR 2067Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.76 1r3h n TYR 2067Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1r3h n TYR 2067CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1r3h n THR 2068N 0.00 0.00 -1.85 -3.48 5.66 -1.19 -0.96 114.28 112.47 1r3h n THR 2068Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 1r3h n THR 2068Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 1r3h n THR 2068CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1r3h s GLU 2069N -1.02 2.86 0.14 1.09 2.12 -1.26 -1.18 118.70 121.45 1r3h s GLU 2069Ca 0.00 1.49 -0.25 0.00 0.36 0.00 0.00 54.97 56.58 1r3h s GLU 2069Cb 0.00 -1.95 0.07 0.00 0.26 0.00 0.00 34.13 32.51 1r3h s GLU 2069CO 0.00 -1.22 0.78 -0.59 -0.54 0.00 0.00 175.26 173.70 1r3h s PHE 2070N -2.15 -0.32 -0.49 5.30 -0.71 -0.78 -4.81 117.98 114.02 1r3h s PHE 2070Ca 0.69 0.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.68 1r3h s PHE 2070Cb -0.22 0.60 0.13 0.00 -1.21 0.00 0.00 43.02 42.32 1r3h s PHE 2070CO 0.38 -0.84 0.26 0.95 -1.34 0.00 0.00 175.22 174.63 1r3h s THR 2071N -3.51 1.98 0.37 -4.49 -4.23 -1.26 -1.68 115.64 102.83 1r3h s THR 2071Ca 0.07 -2.98 -0.25 0.00 -1.18 0.00 0.00 61.69 57.34 1r3h s THR 2071Cb -0.02 -2.38 -0.12 0.00 1.34 0.00 0.00 72.50 71.32 1r3h s THR 2071CO -0.04 -0.86 0.97 -0.81 -0.54 0.00 0.00 174.62 173.33 1r3h n PRO 2072N 3.27 1.29 -4.35 3.99 -0.04 -1.26 -4.68 135.00 133.21 1r3h n PRO 2072Ca 0.08 0.46 -0.19 0.00 -0.04 0.00 0.00 63.50 63.80 1r3h n PRO 2072Cb 0.34 -1.92 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 1r3h n PRO 2072CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1r3h s THR 2073N -1.22 0.97 0.55 0.52 2.01 -1.26 -2.72 115.64 114.49 1r3h s THR 2073Ca 0.61 -0.85 0.25 0.00 0.31 0.00 0.00 61.69 62.02 1r3h s THR 2073Cb -0.61 -0.87 0.36 0.00 0.01 0.00 0.00 72.50 71.39 1r3h s THR 2073CO 0.58 0.03 2.05 -0.08 -0.69 0.00 0.00 174.62 176.51 1r3h h GLU 2074N 5.16 0.00 0.06 4.92 4.81 -1.95 -3.04 114.58 124.53 1r3h h GLU 2074Ca -0.36 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.49 1r3h h GLU 2074Cb 1.18 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1r3h h GLU 2074CO 0.45 0.00 -2.25 1.63 -0.73 0.00 0.00 179.01 178.11 1r3h n LYS 2075N -4.17 0.70 -1.72 1.92 5.02 -1.26 -4.94 118.16 113.71 1r3h n LYS 2075Ca 0.05 0.20 -0.42 0.00 -2.02 0.00 0.00 58.31 56.12 1r3h n LYS 2075Cb 0.42 -1.61 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1r3h n LYS 2075CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r3h n ASP 2076N -3.36 3.12 -4.25 4.39 9.92 -1.15 -5.00 116.55 120.21 1r3h n ASP 2076Ca -0.39 1.21 -0.33 0.00 -0.53 0.00 0.00 54.79 54.75 1r3h n ASP 2076Cb 1.02 -1.53 -0.16 0.00 -0.64 0.00 0.00 41.12 39.81 1r3h n ASP 2076CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1r3h s GLU 2077N -1.81 3.16 0.37 -1.24 2.02 -1.26 -4.72 118.70 115.22 1r3h s GLU 2077Ca 0.56 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.84 1r3h s GLU 2077Cb -0.54 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1r3h s GLU 2077CO 0.62 0.07 0.24 0.71 0.02 0.00 0.00 175.26 176.91 1r3h s TYR 2078N 0.66 2.74 -0.08 1.61 2.02 -1.26 0.19 117.35 123.23 1r3h s TYR 2078Ca -0.09 -0.42 -0.31 0.00 -0.37 0.00 0.00 57.07 55.88 1r3h s TYR 2078Cb -0.16 -1.85 0.12 0.00 -0.40 0.00 0.00 41.96 39.67 1r3h s TYR 2078CO 0.02 0.17 1.07 0.00 -1.57 0.00 0.00 175.55 175.25 1r3h s ALA 2079N -2.43 -1.96 -0.11 3.71 0.00 -1.11 -2.84 121.76 117.02 1r3h s ALA 2079Ca 0.41 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 1r3h s ALA 2079Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1r3h s ALA 2079CO 0.25 -0.71 -0.05 0.00 0.00 0.00 0.00 175.76 175.25 1r3h s ARG 2081N -0.20 2.59 0.05 0.00 3.52 0.29 -2.04 118.95 123.15 1r3h s ARG 2081Ca 0.03 -1.01 0.09 0.00 -0.13 0.00 0.00 55.73 54.72 1r3h s ARG 2081Cb -0.13 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1r3h s ARG 2081CO 0.02 -0.36 -0.26 0.08 -0.81 0.00 0.00 175.30 173.97 1r3h s VAL 2082N 1.24 2.16 -0.02 7.11 1.01 -0.87 0.10 120.40 131.13 1r3h s VAL 2082Ca -0.01 -1.40 -0.00 0.00 0.00 0.00 0.00 61.98 60.57 1r3h s VAL 2082Cb -0.16 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1r3h s VAL 2082CO -0.10 0.36 0.04 0.21 0.00 0.00 0.00 175.10 175.61 1r3h s ASN 2083N -1.27 0.12 0.21 3.32 3.84 0.03 -1.83 114.94 119.36 1r3h s ASN 2083Ca 0.12 0.05 0.07 0.00 0.21 0.00 0.00 52.86 53.31 1r3h s ASN 2083Cb -0.10 -0.07 -0.05 0.00 -0.55 0.00 0.00 41.25 40.49 1r3h s ASN 2083CO 0.02 -0.14 -0.13 -2.28 -2.79 0.00 0.00 177.10 171.79 1r3h s HIS 2084N 1.14 1.70 -2.00 0.43 5.65 -1.26 -2.00 115.29 118.95 1r3h s HIS 2084Ca -0.08 -0.61 0.06 0.00 0.25 0.00 0.00 55.06 54.68 1r3h s HIS 2084Cb -0.13 -0.82 0.37 0.00 -1.18 0.00 0.00 32.58 30.82 1r3h s HIS 2084CO -0.03 0.31 1.10 1.33 -0.65 0.00 0.00 174.74 176.81 1r3h n VAL 2085N -0.39 0.00 -0.08 0.89 0.24 -1.26 -3.02 118.33 114.71 1r3h n VAL 2085Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 1r3h n VAL 2085Cb 0.61 -0.19 -0.12 0.00 -1.47 0.00 0.00 33.84 32.67 1r3h n VAL 2085CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1r3h n THR 2086N -0.61 1.12 -2.56 3.34 -2.24 -1.26 -4.98 114.28 107.09 1r3h n THR 2086Ca 0.05 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.79 1r3h n THR 2086Cb 0.02 -0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 67.48 1r3h n THR 2086CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r3h s LEU 2087N -5.42 4.58 0.04 3.22 1.43 -1.17 -4.94 118.68 116.42 1r3h s LEU 2087Ca -0.12 2.16 0.22 0.00 -1.03 0.00 0.00 54.13 55.35 1r3h s LEU 2087Cb 0.05 -3.62 0.90 0.00 0.03 0.00 0.00 46.19 43.55 1r3h s LEU 2087CO 0.62 -0.05 1.68 -1.20 0.23 0.00 0.00 176.35 177.63 1r3h n SER 2088N 1.34 0.12 -3.59 2.29 7.64 -1.26 -4.85 113.62 115.31 1r3h n SER 2088Ca -0.01 0.52 -0.05 0.00 1.01 0.00 0.00 58.87 60.34 1r3h n SER 2088Cb 0.46 -0.55 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 1r3h n SER 2088CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r3h s GLN 2089N -3.03 0.37 0.19 1.43 -2.07 -1.26 -5.14 119.66 110.14 1r3h s GLN 2089Ca 0.10 -0.11 -0.33 0.00 -1.82 0.00 0.00 55.36 53.19 1r3h s GLN 2089Cb 0.13 0.17 -0.14 0.00 -1.09 0.00 0.00 33.01 32.08 1r3h s GLN 2089CO 0.40 -0.16 1.42 -2.30 -1.32 0.00 0.00 175.29 173.33 1r3h n PRO 2090N -0.03 1.85 -3.77 9.60 -0.02 -1.26 -4.95 135.00 136.43 1r3h n PRO 2090Ca -0.01 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 1r3h n PRO 2090Cb 0.59 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1r3h n PRO 2090CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1r3h s LYS 2091N 0.12 3.52 -0.14 -0.52 -0.14 -0.76 -4.95 119.74 116.86 1r3h s LYS 2091Ca 0.74 -0.32 -0.01 0.00 -1.36 0.00 0.00 55.97 55.02 1r3h s LYS 2091Cb -0.72 -2.91 0.04 0.00 -1.68 0.00 0.00 37.83 32.56 1r3h s LYS 2091CO 0.46 0.49 -0.04 0.42 -0.76 0.00 0.00 175.35 175.92 1r3h s ILE 2092N -1.70 0.90 -0.19 2.17 1.01 -1.26 -2.04 121.20 120.08 1r3h s ILE 2092Ca 0.38 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 1r3h s ILE 2092Cb -0.12 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1r3h s ILE 2092CO 0.27 0.15 0.05 -0.69 0.00 0.00 0.00 174.94 174.72 1r3h s VAL 2093N 1.73 4.57 -0.10 2.92 1.01 -0.87 -4.98 120.40 124.69 1r3h s VAL 2093Ca 0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 1r3h s VAL 2093Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1r3h s VAL 2093CO -0.07 0.45 0.54 -0.54 0.00 0.00 0.00 175.10 175.47 1r3h s LYS 2094N 0.55 4.36 0.33 2.72 1.02 -1.26 -1.01 119.74 126.45 1r3h s LYS 2094Ca 0.02 0.58 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 1r3h s LYS 2094Cb -0.13 -3.43 -0.11 0.00 -0.52 0.00 0.00 37.83 33.64 1r3h s LYS 2094CO 0.01 0.15 1.45 -0.46 -0.92 0.00 0.00 175.35 175.59 1r3h s TRP 2095N 0.59 2.81 -0.17 3.18 -0.00 -1.13 -4.94 118.94 119.28 1r3h s TRP 2095Ca 0.29 1.13 -0.05 0.00 -0.00 0.00 0.00 56.10 57.47 1r3h s TRP 2095Cb -0.16 -3.91 -0.03 0.00 -0.00 0.00 0.00 33.47 29.37 1r3h s TRP 2095CO 0.13 -2.76 0.01 0.34 -0.00 0.00 0.00 176.95 174.67 1r3h s ASP 2096N -0.02 5.16 0.03 5.86 -1.08 -1.26 -4.86 116.67 120.51 1r3h s ASP 2096Ca 0.55 -0.04 0.17 0.00 -0.52 0.00 0.00 52.55 52.70 1r3h s ASP 2096Cb -0.44 -1.87 0.70 0.00 -1.46 0.00 0.00 42.92 39.86 1r3h s ASP 2096CO 0.54 0.16 1.53 0.54 0.52 0.00 0.00 175.17 178.46 1r3h n ARG 2097N 3.60 0.02 -1.22 4.34 1.74 -1.26 -2.55 116.66 121.33 1r3h n ARG 2097Ca -0.17 0.25 -0.06 0.00 -0.77 0.00 0.00 57.85 57.11 1r3h n ARG 2097Cb 0.52 -1.55 0.13 0.00 -1.02 0.00 0.00 32.46 30.55 1r3h n ARG 2097CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1r3h n ASP 2098N -1.59 2.90 0.00 0.55 8.00 -1.26 -4.60 116.55 120.54 1r3h n ASP 2098Ca 0.04 -3.74 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1r3h n ASP 2098Cb 0.19 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1r3h n ASP 2098CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04