#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uup n GLN 2002N 0.00 -0.39 -1.48 3.69 0.00 -1.26 -4.42 117.38 113.52 1uup n GLN 2002Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 57.00 56.55 1uup n GLN 2002Cb 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 30.24 28.63 1uup n GLN 2002CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1uup n ASP 2003N -0.50 0.83 -4.77 2.61 9.92 -1.26 -4.92 116.55 118.46 1uup n ASP 2003Ca 0.04 0.72 -0.31 0.00 -0.53 0.00 0.00 54.79 54.72 1uup n ASP 2003Cb 0.55 -1.43 0.09 0.00 -0.64 0.00 0.00 41.12 39.70 1uup n ASP 2003CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1uup s PRO 2004N -3.23 2.22 -0.08 -0.24 0.04 -1.26 -5.06 135.00 127.40 1uup s PRO 2004Ca 0.76 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.93 1uup s PRO 2004Cb -0.37 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1uup s PRO 2004CO 0.47 -1.66 -0.06 0.34 0.04 0.00 0.00 177.00 176.14 1uup s ASP 2005N -3.42 4.74 0.48 6.66 2.15 -1.26 -4.99 116.67 121.04 1uup s ASP 2005Ca 0.61 -0.01 0.38 0.00 0.43 0.00 0.00 52.55 53.96 1uup s ASP 2005Cb -0.17 -1.29 1.57 0.00 -0.30 0.00 0.00 42.92 42.73 1uup s ASP 2005CO 0.56 0.34 1.59 -0.65 -0.17 0.00 0.00 175.17 176.85 1uup h PRO 2006N 5.40 0.02 0.00 4.34 0.11 -1.97 1.99 132.00 141.90 1uup h PRO 2006Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uup h PRO 2006Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uup h PRO 2006CO 0.54 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 179.00 1uup h SER 2007N 0.02 0.00 1.38 -2.05 4.64 -2.04 -3.16 113.55 112.34 1uup h SER 2007Ca 0.88 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.20 1uup h SER 2007Cb 3.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 65.17 1uup h SER 2007CO -0.30 0.00 -0.63 1.56 -0.87 0.00 0.00 176.83 176.60 1uup h GLN 2008N 0.00 0.00 -6.89 4.77 4.20 0.28 -3.47 115.11 114.00 1uup h GLN 2008Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 1uup h GLN 2008Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1uup h GLN 2008CO 0.00 0.01 0.37 -0.51 -0.67 0.00 0.00 178.83 178.03 1uup s LEU 2009N -5.71 4.32 -0.05 1.46 1.43 -1.13 -4.94 118.68 114.05 1uup s LEU 2009Ca 0.02 1.91 -0.28 0.00 -1.03 0.00 0.00 54.13 54.76 1uup s LEU 2009Cb 0.08 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1uup s LEU 2009CO 0.74 -0.16 0.91 -1.00 0.23 0.00 0.00 176.35 177.07 1uup s HIS 2010N -1.59 3.59 -0.08 0.29 3.76 -1.26 -5.02 115.29 114.98 1uup s HIS 2010Ca 0.51 1.53 -0.30 0.00 -0.15 0.00 0.00 55.06 56.66 1uup s HIS 2010Cb -0.20 -3.05 -0.02 0.00 1.11 0.00 0.00 32.58 30.42 1uup s HIS 2010CO 0.26 -0.05 1.05 1.03 -0.85 0.00 0.00 174.74 176.18 1uup s ARG 2011N 1.26 4.42 0.23 1.40 0.52 -1.26 -4.52 118.95 120.99 1uup s ARG 2011Ca 0.47 1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 57.11 1uup s ARG 2011Cb -0.19 -3.53 0.23 0.00 0.52 0.00 0.00 34.95 31.97 1uup s ARG 2011CO 0.22 -0.32 1.64 0.66 0.02 0.00 0.00 175.30 177.53 1uup h SER 2012N 7.14 0.72 -0.16 0.23 4.64 -0.83 -2.82 113.55 122.47 1uup h SER 2012Ca -0.33 -0.26 0.05 0.00 -0.47 0.00 0.00 61.79 60.78 1uup h SER 2012Cb 1.16 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1uup h SER 2012CO 0.85 0.94 0.16 0.77 -0.87 0.00 0.00 176.83 178.68 1uup h SER 2013N 0.62 0.00 -0.03 4.97 4.64 -1.86 0.37 113.55 122.25 1uup h SER 2013Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1uup h SER 2013Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1uup h SER 2013CO 0.06 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.91 1uup n LEU 2014N -3.92 0.54 -4.80 5.97 7.94 -1.06 -4.89 117.00 116.77 1uup n LEU 2014Ca 0.01 -0.20 -0.38 0.00 -1.11 0.00 0.00 56.01 54.33 1uup n LEU 2014Cb 0.28 -0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.15 1uup n LEU 2014CO 0.29 0.10 0.13 -0.69 -1.11 0.00 0.00 177.39 176.11 1uup s VAL 2015N -1.97 5.06 -0.20 1.96 1.01 0.12 -4.36 120.40 122.02 1uup s VAL 2015Ca 0.37 0.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.11 1uup s VAL 2015Cb 0.18 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1uup s VAL 2015CO 0.30 0.50 0.25 -0.54 0.00 0.00 0.00 175.10 175.61 1uup s LYS 2016N -0.54 4.18 -1.17 2.72 -0.14 -0.07 -4.23 119.74 120.49 1uup s LYS 2016Ca 0.24 -0.03 -0.02 0.00 -1.36 0.00 0.00 55.97 54.80 1uup s LYS 2016Cb -0.16 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 1uup s LYS 2016CO 0.12 0.13 0.33 0.09 -0.76 0.00 0.00 175.35 175.26 1uup n ASN 2017N 3.98 -4.78 -0.26 2.83 3.02 -1.26 -4.74 115.26 114.06 1uup n ASN 2017Ca -0.13 -0.16 0.32 0.00 -0.03 0.00 0.00 54.58 54.59 1uup n ASN 2017Cb 0.52 -3.71 0.74 0.00 -0.61 0.00 0.00 39.78 36.71 1uup n ASN 2017CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1uup h LEU 2018N -0.75 0.00 -1.80 3.41 5.85 -1.87 0.16 115.31 120.31 1uup h LEU 2018Ca -0.38 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.62 1uup h LEU 2018Cb 1.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1uup h LEU 2018CO 0.41 0.00 0.71 0.06 -0.34 0.00 0.00 178.44 179.28 1uup h GLN 2019N 0.00 0.13 0.00 1.25 -0.00 -1.78 0.72 115.11 115.44 1uup h GLN 2019Ca 0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.14 1uup h GLN 2019Cb 2.02 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 29.47 1uup h GLN 2019CO -0.01 0.09 0.00 -0.91 -0.00 0.00 0.00 178.83 178.00 1uup h ASN 2020N 0.13 0.00 0.42 0.06 2.35 -1.03 0.20 115.58 117.72 1uup h ASN 2020Ca 0.51 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.95 1uup h ASN 2020Cb 1.78 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.12 1uup h ASN 2020CO -0.09 0.00 -1.67 0.40 -1.65 0.00 0.00 177.43 174.42 1uup h ILE 2021N 0.00 0.96 0.01 2.81 1.08 0.29 -3.33 117.51 119.33 1uup h ILE 2021Ca 0.00 -2.69 0.02 0.00 -0.39 0.00 0.00 64.86 61.79 1uup h ILE 2021Cb 0.07 2.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 1uup h ILE 2021CO 0.00 0.74 -0.09 0.22 -0.69 0.00 0.00 178.15 178.32 1uup h TYR 2022N 0.04 -0.24 0.00 1.37 3.20 -0.50 -2.44 116.97 118.40 1uup h TYR 2022Ca -0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 1uup h TYR 2022Cb 2.01 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 40.38 1uup h TYR 2022CO 0.04 -0.15 -0.03 0.74 -1.64 0.00 0.00 178.16 177.12 1uup h PHE 2023N -0.17 0.00 -0.51 -3.82 -1.00 -1.48 0.94 116.94 110.90 1uup h PHE 2023Ca 0.03 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 1uup h PHE 2023Cb 0.21 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1uup h PHE 2023CO -0.15 0.03 0.09 -0.07 -1.61 0.00 0.00 178.31 176.60 1uup h LEU 2024N 0.00 0.81 0.00 1.54 3.38 -1.54 -3.15 115.31 116.35 1uup h LEU 2024Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1uup h LEU 2024Cb 0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1uup h LEU 2024CO 0.00 0.86 -0.86 -1.22 0.09 0.00 0.00 178.44 177.31 1uup n TYR 2025N -4.40 0.02 0.01 1.13 4.02 -0.84 -4.38 117.16 112.72 1uup n TYR 2025Ca 0.01 0.01 -0.18 0.00 -0.01 0.00 0.00 57.90 57.73 1uup n TYR 2025Cb 0.26 -0.13 -0.14 0.00 -0.02 0.00 0.00 39.34 39.31 1uup n TYR 2025CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1uup h GLU 2026N 0.00 0.23 -7.53 -0.72 4.57 -0.88 -3.38 114.58 106.87 1uup h GLU 2026Ca 0.00 -0.35 -0.43 0.00 -1.18 0.00 0.00 59.36 57.40 1uup h GLU 2026Cb 0.53 0.13 0.18 0.00 -0.16 0.00 0.00 28.75 29.42 1uup h GLU 2026CO 0.00 1.14 0.24 0.20 -1.18 0.00 0.00 179.01 179.40 1uup s GLY 2027N -4.29 1.64 0.40 1.92 0.00 -1.19 -5.02 107.32 100.78 1uup s GLY 2027Ca -0.15 -0.97 -0.24 0.00 0.00 0.00 0.00 44.72 43.35 1uup s GLY 2027CO 0.79 -0.16 1.07 0.99 0.00 0.00 0.00 173.10 175.79 1uup s ASP 2028N -4.19 6.72 1.01 1.64 1.01 -1.26 -5.02 116.67 116.57 1uup s ASP 2028Ca 0.71 2.10 -0.02 0.00 0.71 0.00 0.00 52.55 56.05 1uup s ASP 2028Cb -0.09 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.28 1uup s ASP 2028CO 0.55 -0.52 0.14 -0.81 0.21 0.00 0.00 175.17 174.74 1uup n PRO 2029N -0.01 -0.52 -3.81 8.23 -0.04 -1.26 -4.88 135.00 132.70 1uup n PRO 2029Ca 0.05 -0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 1uup n PRO 2029Cb 0.49 -0.17 -0.13 0.00 -0.04 0.00 0.00 33.50 33.65 1uup n PRO 2029CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uup s VAL 2030N -1.30 3.61 -0.03 0.52 1.01 0.11 -4.92 120.40 119.40 1uup s VAL 2030Ca 0.08 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1uup s VAL 2030Cb -0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1uup s VAL 2030CO 0.06 0.02 -0.19 0.42 0.00 0.00 0.00 175.10 175.41 1uup s THR 2031N 1.42 1.55 -0.12 3.92 -4.23 -1.26 -1.49 115.64 115.43 1uup s THR 2031Ca 0.00 -0.82 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1uup s THR 2031Cb -0.18 -1.30 0.04 0.00 1.34 0.00 0.00 72.50 72.40 1uup s THR 2031CO 0.01 0.44 0.30 -1.00 -0.54 0.00 0.00 174.62 173.83 1uup s HIS 2032N -0.31 -0.38 0.00 3.99 3.76 -0.88 -4.96 115.29 116.52 1uup s HIS 2032Ca 0.04 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 55.83 1uup s HIS 2032Cb -0.09 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.72 1uup s HIS 2032CO 0.00 -0.22 0.00 0.39 -0.85 0.00 0.00 174.74 174.06 1uup n GLU 2033N 3.66 0.00 -2.76 1.40 -0.58 -1.26 -0.28 120.64 120.81 1uup n GLU 2033Ca -0.19 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.14 1uup n GLU 2033Cb 0.56 -0.35 0.01 0.00 -0.57 0.00 0.00 31.44 31.09 1uup n GLU 2033CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1uup n ASN 2034N -0.55 6.97 -4.99 1.62 4.05 -1.26 -3.25 115.26 117.84 1uup n ASN 2034Ca 0.00 -3.61 -0.18 0.00 0.45 0.00 0.00 54.58 51.24 1uup n ASN 2034Cb 0.00 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 39.85 1uup n ASN 2034CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1uup s VAL 2035N -3.90 3.15 -0.08 3.44 -7.23 -0.85 -4.86 120.40 110.07 1uup s VAL 2035Ca 0.37 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1uup s VAL 2035Cb 0.15 -3.07 0.04 0.00 0.56 0.00 0.00 36.38 34.07 1uup s VAL 2035CO -0.06 -0.03 0.18 -0.75 -0.31 0.00 0.00 175.10 174.13 1uup s LYS 2036N -4.30 0.12 0.73 4.82 2.20 -1.26 -1.18 119.74 120.88 1uup s LYS 2036Ca 0.53 0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 56.43 1uup s LYS 2036Cb -0.09 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.03 1uup s LYS 2036CO 0.32 -0.18 0.55 -1.13 -0.36 0.00 0.00 175.35 174.56 1uup n SER 2037N 4.34 -1.12 0.00 1.43 3.41 -1.25 -4.70 113.62 115.72 1uup n SER 2037Ca -0.24 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1uup n SER 2037Cb 0.52 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1uup n SER 2037CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1uup n VAL 2038N -2.45 0.00 -3.65 -3.33 3.14 0.23 -4.94 118.33 107.33 1uup n VAL 2038Ca 0.10 -0.21 -0.07 0.00 -2.96 0.00 0.00 64.34 61.19 1uup n VAL 2038Cb 0.50 0.88 0.02 0.00 -1.06 0.00 0.00 33.84 34.19 1uup n VAL 2038CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1uup n ASP 2039N -0.55 -1.88 -3.63 6.55 2.03 -1.13 -5.04 116.55 112.91 1uup n ASP 2039Ca 0.00 -2.29 -0.12 0.00 0.52 0.00 0.00 54.79 52.90 1uup n ASP 2039Cb 0.00 3.12 -0.07 0.00 -0.72 0.00 0.00 41.12 43.45 1uup n ASP 2039CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1uup s GLN 2040N -2.07 0.79 0.00 -0.67 0.74 -1.26 -1.78 119.66 115.40 1uup s GLN 2040Ca 0.13 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.55 1uup s GLN 2040Cb -0.04 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.41 1uup s GLN 2040CO 0.10 -0.11 0.00 -0.11 -0.55 0.00 0.00 175.29 174.62 1uup n LEU 2041N 2.97 0.22 -4.84 3.68 7.94 -1.26 -4.99 117.00 120.71 1uup n LEU 2041Ca -0.15 0.11 -0.30 0.00 -1.11 0.00 0.00 56.01 54.56 1uup n LEU 2041Cb 0.56 -0.37 -0.05 0.00 0.53 0.00 0.00 43.42 44.08 1uup n LEU 2041CO 0.02 -0.37 -0.21 -0.76 -1.11 0.00 0.00 177.39 174.96 1uup s LEU 2042N -4.14 4.03 0.62 -1.96 1.43 -1.26 -4.99 118.68 112.41 1uup s LEU 2042Ca 0.00 0.08 0.24 0.00 -1.03 0.00 0.00 54.13 53.42 1uup s LEU 2042Cb 0.00 -2.67 1.08 0.00 0.03 0.00 0.00 46.19 44.63 1uup s LEU 2042CO 0.00 0.15 1.54 0.28 0.23 0.00 0.00 176.35 178.55 1uup h SER 2043N 3.01 0.00 0.18 2.29 0.02 -1.99 0.95 113.55 118.01 1uup h SER 2043Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1uup h SER 2043Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1uup h SER 2043CO 0.69 0.00 -0.46 0.00 -1.14 0.00 0.00 176.83 175.92 1uup n HIS 2044N -3.24 0.00 -3.78 3.45 1.44 -1.26 -4.23 115.22 107.60 1uup n HIS 2044Ca 0.12 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.60 1uup n HIS 2044Cb 1.01 -0.09 -0.05 0.00 0.12 0.00 0.00 29.99 30.98 1uup n HIS 2044CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1uup s ASP 2045N -2.64 4.83 0.03 4.39 1.47 0.32 -1.75 116.67 123.31 1uup s ASP 2045Ca 0.18 -0.86 0.01 0.00 1.18 0.00 0.00 52.55 53.07 1uup s ASP 2045Cb 0.18 -0.55 -0.02 0.00 -0.34 0.00 0.00 42.92 42.19 1uup s ASP 2045CO 0.61 -0.60 -0.05 -0.76 0.68 0.00 0.00 175.17 175.04 1uup s LEU 2046N -4.04 2.21 -0.09 2.11 1.43 -0.37 -4.56 118.68 115.37 1uup s LEU 2046Ca 0.45 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1uup s LEU 2046Cb -0.01 -0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.14 1uup s LEU 2046CO 0.26 -0.19 -0.22 -0.63 0.23 0.00 0.00 176.35 175.80 1uup s ILE 2047N -1.18 1.89 -0.06 -0.59 1.01 -0.73 -0.84 121.20 120.70 1uup s ILE 2047Ca -0.10 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1uup s ILE 2047Cb -0.08 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1uup s ILE 2047CO -0.00 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 175.01 1uup s TYR 2048N 0.31 2.72 -1.22 3.97 1.51 0.43 -0.60 117.35 124.46 1uup s TYR 2048Ca -0.16 -0.25 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 1uup s TYR 2048Cb -0.17 -1.66 0.19 0.00 -0.11 0.00 0.00 41.96 40.21 1uup s TYR 2048CO 0.07 0.11 1.59 -1.71 -1.11 0.00 0.00 175.55 174.51 1uup n ASN 2049N 2.52 5.30 -4.50 2.29 5.15 -1.26 -1.53 115.26 123.23 1uup n ASN 2049Ca -0.17 -3.07 -0.24 0.00 -0.60 0.00 0.00 54.58 50.50 1uup n ASN 2049Cb 0.52 -1.49 -0.11 0.00 -0.53 0.00 0.00 39.78 38.17 1uup n ASN 2049CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1uup s VAL 2050N 0.49 1.47 0.07 3.44 -7.23 -1.24 -4.99 120.40 112.41 1uup s VAL 2050Ca 0.40 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1uup s VAL 2050Cb 0.02 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1uup s VAL 2050CO 0.01 -0.02 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.77 1uup s SER 2051N -3.55 0.97 0.29 4.85 1.04 -1.26 -2.87 113.70 113.17 1uup s SER 2051Ca 0.36 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1uup s SER 2051Cb 0.09 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1uup s SER 2051CO 0.16 -0.38 0.29 -0.83 0.98 0.00 0.00 173.24 173.46 1uup s GLY 2052N -2.50 1.78 0.35 7.32 0.00 -0.42 -4.97 107.32 108.89 1uup s GLY 2052Ca 0.03 -1.77 0.15 0.00 0.00 0.00 0.00 44.72 43.14 1uup s GLY 2052CO -0.03 -1.29 1.70 -2.55 0.00 0.00 0.00 173.10 170.93 1uup h PRO 2053N 2.27 0.39 -0.33 2.90 0.11 -2.01 -2.11 132.00 133.23 1uup h PRO 2053Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1uup h PRO 2053Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1uup h PRO 2053CO 0.41 0.26 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 1uup n ASN 2054N -4.87 3.64 -3.62 -2.05 3.02 -1.26 -5.02 115.26 105.10 1uup n ASN 2054Ca 0.29 -2.58 -0.14 0.00 -0.03 0.00 0.00 54.58 52.13 1uup n ASN 2054Cb 0.92 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 1uup n ASN 2054CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1uup s TYR 2055N -2.05 -0.37 -0.17 3.10 -0.85 -0.79 -4.64 117.35 111.58 1uup s TYR 2055Ca 0.36 0.42 0.05 0.00 -0.52 0.00 0.00 57.07 57.38 1uup s TYR 2055Cb 0.26 0.28 -0.07 0.00 0.38 0.00 0.00 41.96 42.82 1uup s TYR 2055CO 0.13 -0.60 0.19 -0.25 -1.52 0.00 0.00 175.55 173.50 1uup n ASP 2056N 0.54 1.44 -3.92 -0.18 8.00 0.14 -1.30 116.55 121.28 1uup n ASP 2056Ca -0.19 -0.41 -0.13 0.00 0.71 0.00 0.00 54.79 54.77 1uup n ASP 2056Cb 0.60 1.08 -0.14 0.00 -0.02 0.00 0.00 41.12 42.64 1uup n ASP 2056CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1uup s LYS 2057N -1.79 0.18 -0.10 -1.24 1.02 -1.14 -3.68 119.74 112.99 1uup s LYS 2057Ca 0.01 -0.14 0.01 0.00 0.02 0.00 0.00 55.97 55.86 1uup s LYS 2057Cb 0.04 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1uup s LYS 2057CO 0.22 0.03 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.39 1uup s LEU 2058N -0.23 1.53 -0.11 3.17 2.96 -0.58 -1.57 118.68 123.84 1uup s LEU 2058Ca -0.01 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1uup s LEU 2058Cb -0.02 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 1uup s LEU 2058CO -0.00 -0.03 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.07 1uup s LYS 2059N 1.19 3.16 -0.08 1.98 2.20 0.35 -0.43 119.74 128.12 1uup s LYS 2059Ca -0.04 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.84 1uup s LYS 2059Cb -0.14 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 1uup s LYS 2059CO -0.03 0.24 -0.19 -0.08 -0.36 0.00 0.00 175.35 174.92 1uup s THR 2060N 0.25 2.57 -0.28 3.43 -1.32 -0.02 -1.77 115.64 118.50 1uup s THR 2060Ca -0.12 -0.87 -0.14 0.00 -1.21 0.00 0.00 61.69 59.35 1uup s THR 2060Cb -0.16 -2.00 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 1uup s THR 2060CO 0.06 0.56 0.32 -1.61 -2.21 0.00 0.00 174.62 171.75 1uup s GLU 2061N -0.11 3.94 0.00 7.08 2.02 -0.94 -1.23 118.70 129.46 1uup s GLU 2061Ca -0.03 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1uup s GLU 2061Cb -0.14 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.41 1uup s GLU 2061CO 0.04 -0.28 0.00 1.28 0.02 0.00 0.00 175.26 176.32 1uup n LEU 2062N 5.26 0.00 0.08 1.80 4.77 -0.72 -1.62 117.00 126.57 1uup n LEU 2062Ca -0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 1uup n LEU 2062Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1uup n LEU 2062CO 0.36 -0.32 0.63 0.50 -1.33 0.00 0.00 177.39 177.24 1uup h LYS 2063N 0.00 -0.20 0.00 3.23 3.64 -1.74 -3.45 116.57 118.06 1uup h LYS 2063Ca 0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1uup h LYS 2063Cb 0.00 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1uup h LYS 2063CO 0.00 0.13 0.14 0.27 -2.27 0.00 0.00 179.45 177.72 1uup n ASN 2064N -5.03 -1.72 -0.11 4.20 2.04 -1.26 -4.99 115.26 108.40 1uup n ASN 2064Ca -0.09 -2.39 -0.01 0.00 -0.44 0.00 0.00 54.58 51.66 1uup n ASN 2064Cb 0.22 2.91 0.24 0.00 -2.53 0.00 0.00 39.78 40.62 1uup n ASN 2064CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 1uup h GLN 2065N 0.00 0.78 -0.69 -3.83 3.07 -1.85 -2.14 115.11 110.45 1uup h GLN 2065Ca -0.27 -0.13 0.11 0.00 0.09 0.00 0.00 58.65 58.46 1uup h GLN 2065Cb 1.02 -0.13 -0.04 0.00 0.08 0.00 0.00 27.48 28.40 1uup h GLN 2065CO 0.34 0.66 0.46 0.93 0.09 0.00 0.00 178.83 181.31 1uup h GLU 2066N 0.77 0.50 0.01 0.06 3.07 -1.96 0.19 114.58 117.20 1uup h GLU 2066Ca 0.18 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.80 1uup h GLU 2066Cb 0.19 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1uup h GLU 2066CO -0.01 0.33 -0.92 1.98 -1.40 0.00 0.00 179.01 178.98 1uup h MET 2067N 0.51 0.31 0.39 2.33 4.05 -1.78 -2.36 114.93 118.38 1uup h MET 2067Ca 0.32 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1uup h MET 2067Cb 0.58 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1uup h MET 2067CO -0.11 1.04 -0.19 0.00 0.23 0.00 0.00 176.91 177.89 1uup h ALA 2068N 0.84 -0.52 0.00 0.39 0.00 -0.58 -2.94 119.26 116.45 1uup h ALA 2068Ca -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1uup h ALA 2068Cb 1.56 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 1uup h ALA 2068CO 0.15 -0.58 -0.00 1.79 0.00 0.00 0.00 179.25 180.61 1uup h THR 2069N -0.94 0.01 -0.23 0.00 1.35 -0.84 0.48 112.91 112.73 1uup h THR 2069Ca -0.05 -0.17 -0.15 0.00 -0.55 0.00 0.00 66.41 65.49 1uup h THR 2069Cb 0.54 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1uup h THR 2069CO 0.09 0.00 -0.48 0.25 -0.25 0.00 0.00 175.52 175.13 1uup h LEU 2070N 0.00 0.68 0.00 3.87 5.85 -1.34 -3.21 115.31 121.16 1uup h LEU 2070Ca -0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1uup h LEU 2070Cb 0.16 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1uup h LEU 2070CO 0.00 1.05 -1.16 0.49 -0.34 0.00 0.00 178.44 178.48 1uup n PHE 2071N -4.00 0.03 -0.38 1.25 3.01 -0.50 -4.66 117.46 112.22 1uup n PHE 2071Ca -0.03 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1uup n PHE 2071Cb 0.57 -0.17 0.05 0.00 -0.01 0.00 0.00 39.48 39.93 1uup n PHE 2071CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1uup n LYS 2072N -1.70 -0.21 -0.57 -1.08 4.81 0.16 -1.64 118.16 117.92 1uup n LYS 2072Ca 0.02 1.52 0.08 0.00 -0.87 0.00 0.00 58.31 59.06 1uup n LYS 2072Cb 0.39 -2.26 0.30 0.00 0.02 0.00 0.00 35.03 33.48 1uup n LYS 2072CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1uup n ASP 2073N -5.47 4.41 -4.95 3.14 8.00 -1.26 -3.86 116.55 116.55 1uup n ASP 2073Ca 0.11 -2.90 -0.23 0.00 0.71 0.00 0.00 54.79 52.49 1uup n ASP 2073Cb 0.41 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1uup n ASP 2073CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1uup s LYS 2074N -2.64 3.17 -0.44 -1.24 -0.14 -0.65 -5.02 119.74 112.78 1uup s LYS 2074Ca 0.45 -0.51 -0.16 0.00 -1.36 0.00 0.00 55.97 54.39 1uup s LYS 2074Cb 0.35 -2.61 0.04 0.00 -1.68 0.00 0.00 37.83 33.93 1uup s LYS 2074CO 0.12 -0.13 0.37 -0.80 -0.76 0.00 0.00 175.35 174.15 1uup s ASN 2075N -4.17 6.14 0.44 2.83 0.01 -1.26 -4.39 114.94 114.55 1uup s ASN 2075Ca 0.46 -1.02 0.06 0.00 -0.71 0.00 0.00 52.86 51.65 1uup s ASN 2075Cb -0.10 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 1uup s ASN 2075CO 0.37 -0.56 0.15 0.68 -1.51 0.00 0.00 177.10 176.22 1uup s VAL 2076N 1.78 2.01 0.09 1.60 -7.23 -0.32 -0.76 120.40 117.57 1uup s VAL 2076Ca 0.06 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 1uup s VAL 2076Cb -0.21 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1uup s VAL 2076CO 0.09 0.00 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.95 1uup s ASP 2077N -3.90 4.21 0.00 4.85 1.01 0.10 -2.01 116.67 120.94 1uup s ASP 2077Ca 0.34 -0.40 0.08 0.00 0.71 0.00 0.00 52.55 53.27 1uup s ASP 2077Cb 0.04 -0.76 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 1uup s ASP 2077CO 0.19 0.20 -0.23 -0.63 0.21 0.00 0.00 175.17 174.91 1uup s ILE 2078N -1.13 1.86 -0.27 0.77 1.01 0.61 -2.41 121.20 121.65 1uup s ILE 2078Ca 0.19 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 1uup s ILE 2078Cb -0.11 -1.57 0.15 0.00 0.01 0.00 0.00 42.46 40.95 1uup s ILE 2078CO 0.11 0.44 0.44 -0.47 0.00 0.00 0.00 174.94 175.46 1uup s TYR 2079N -0.64 -1.08 0.21 3.97 6.04 -0.64 -2.07 117.35 123.15 1uup s TYR 2079Ca 0.09 0.93 -0.09 0.00 0.04 0.00 0.00 57.07 58.04 1uup s TYR 2079Cb -0.09 0.11 -0.01 0.00 -1.04 0.00 0.00 41.96 40.93 1uup s TYR 2079CO 0.00 -0.83 0.34 0.20 -1.54 0.00 0.00 175.55 173.72 1uup s GLY 2080N 2.63 0.76 -0.56 8.97 0.00 -0.55 -4.46 107.32 114.11 1uup s GLY 2080Ca 0.14 -1.10 -0.12 0.00 0.00 0.00 0.00 44.72 43.64 1uup s GLY 2080CO -0.20 -0.88 0.47 0.14 0.00 0.00 0.00 173.10 172.62 1uup s VAL 2081N -4.04 4.78 0.63 1.40 1.01 -1.26 -0.71 120.40 122.20 1uup s VAL 2081Ca 0.25 -1.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.32 1uup s VAL 2081Cb 0.02 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1uup s VAL 2081CO 0.08 -0.85 0.99 -1.83 0.00 0.00 0.00 175.10 173.48 1uup s GLU 2082N 1.22 3.07 0.07 2.72 1.03 -1.26 -4.70 118.70 120.84 1uup s GLU 2082Ca 0.07 0.34 -0.08 0.00 0.03 0.00 0.00 54.97 55.33 1uup s GLU 2082Cb -0.25 -2.14 -0.01 0.00 -0.80 0.00 0.00 34.13 30.93 1uup s GLU 2082CO -0.00 -0.77 0.15 1.52 -1.33 0.00 0.00 175.26 174.83 1uup s TYR 2083N -3.15 0.18 -0.00 4.83 -0.85 -0.40 -4.94 117.35 113.02 1uup s TYR 2083Ca 0.55 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 1uup s TYR 2083Cb -0.11 -0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.12 1uup s TYR 2083CO 0.49 -0.48 -0.00 0.66 -1.52 0.00 0.00 175.55 174.70 1uup n TYR 2084N 0.21 0.00 -1.68 -3.49 4.02 -1.26 -2.05 117.16 112.91 1uup n TYR 2084Ca -0.16 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.28 1uup n TYR 2084Cb 0.61 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 1uup n TYR 2084CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1uup n HIS 2085N -2.13 2.43 -1.15 -0.72 -0.00 -1.26 -0.93 115.22 111.46 1uup n HIS 2085Ca -0.01 -0.01 -0.05 0.00 0.46 0.00 0.00 57.72 58.11 1uup n HIS 2085Cb 0.51 -2.67 -0.02 0.00 -0.12 0.00 0.00 29.99 27.69 1uup n HIS 2085CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1uup n LEU 2086N 5.49 0.11 0.00 0.27 4.77 -1.26 -4.74 117.00 121.65 1uup n LEU 2086Ca 0.19 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1uup n LEU 2086Cb 0.33 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 1uup n LEU 2086CO 0.68 -0.78 0.00 0.00 -1.33 0.00 0.00 177.39 175.96 1uup n TYR 2088N 0.00 2.29 -3.58 0.00 4.19 -1.26 -4.89 117.16 113.91 1uup n TYR 2088Ca 0.00 -0.13 -0.38 0.00 3.31 0.00 0.00 57.90 60.70 1uup n TYR 2088Cb 0.00 -2.71 -0.05 0.00 0.49 0.00 0.00 39.34 37.06 1uup n TYR 2088CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 1uup s LEU 2089N 5.07 5.72 -0.23 2.98 2.96 -1.26 -4.93 118.68 128.99 1uup s LEU 2089Ca 0.94 -3.58 -0.28 0.00 -0.22 0.00 0.00 54.13 50.99 1uup s LEU 2089Cb -0.57 -1.97 0.15 0.00 0.50 0.00 0.00 46.19 44.30 1uup s LEU 2089CO 0.46 -0.23 1.14 0.00 -1.32 0.00 0.00 176.35 176.39 1uup n GLU 2091N 1.03 0.00 -0.00 0.00 4.71 -1.26 -1.51 120.64 123.61 1uup n GLU 2091Ca -0.08 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.13 1uup n GLU 2091Cb 0.58 -1.45 -0.08 0.00 -1.01 0.00 0.00 31.44 29.47 1uup n GLU 2091CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1uup n ASN 2092N -0.78 1.61 -3.89 1.62 2.04 -1.26 -4.81 115.26 109.78 1uup n ASN 2092Ca 0.00 -0.30 -0.30 0.00 -0.44 0.00 0.00 54.58 53.54 1uup n ASN 2092Cb 0.00 1.33 -0.14 0.00 -2.53 0.00 0.00 39.78 38.45 1uup n ASN 2092CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1uup s ALA 2093N -2.54 2.95 -0.79 -2.53 0.00 -0.57 -4.97 121.76 113.31 1uup s ALA 2093Ca -0.01 -3.03 0.24 0.00 0.00 0.00 0.00 51.96 49.16 1uup s ALA 2093Cb 0.08 -2.07 0.34 0.00 0.00 0.00 0.00 23.12 21.47 1uup s ALA 2093CO 0.49 -2.01 1.29 0.39 0.00 0.00 0.00 175.76 175.92 1uup n GLU 2094N 3.31 0.16 -2.96 0.00 -0.58 -1.26 -4.39 120.64 114.92 1uup n GLU 2094Ca 0.06 0.03 -0.17 0.00 -0.42 0.00 0.00 57.16 56.65 1uup n GLU 2094Cb 0.33 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 1uup n GLU 2094CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1uup n ARG 2095N -1.81 1.51 -3.89 3.49 1.74 -1.26 -5.08 116.66 111.35 1uup n ARG 2095Ca 0.04 -3.63 -0.24 0.00 -0.77 0.00 0.00 57.85 53.25 1uup n ARG 2095Cb 0.39 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 1uup n ARG 2095CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1uup s SER 2096N -2.84 6.34 -0.02 0.55 0.01 -1.26 -0.68 113.70 115.79 1uup s SER 2096Ca 0.38 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.83 1uup s SER 2096Cb 0.37 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.70 1uup s SER 2096CO -0.06 -0.02 -0.04 0.00 0.41 0.00 0.00 173.24 173.53 1uup s ALA 2097N -1.87 0.44 0.11 1.44 0.00 -0.61 -4.83 121.76 116.44 1uup s ALA 2097Ca 0.35 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1uup s ALA 2097Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1uup s ALA 2097CO 0.29 0.04 -0.17 0.00 0.00 0.00 0.00 175.76 175.92 1uup s ILE 2099N -1.14 0.00 -0.02 0.00 -4.36 -0.73 -1.28 121.20 113.67 1uup s ILE 2099Ca 0.18 -1.40 0.07 0.00 -0.26 0.00 0.00 60.65 59.24 1uup s ILE 2099Cb -0.11 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 1uup s ILE 2099CO 0.10 0.00 -0.24 -0.31 0.24 0.00 0.00 174.94 174.74 1uup s TYR 2100N -3.40 2.15 0.00 1.37 1.51 -1.26 -2.20 117.35 115.51 1uup s TYR 2100Ca 0.24 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1uup s TYR 2100Cb -0.01 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1uup s TYR 2100CO 0.13 -0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 1uup n GLY 2101N 2.56 2.46 2.24 0.71 0.00 -0.64 -4.54 105.19 107.97 1uup n GLY 2101Ca -0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1uup n GLY 2101CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uup n GLY 2102N 0.00 0.73 3.43 -0.02 0.00 -1.26 -4.85 105.19 103.21 1uup n GLY 2102Ca 0.00 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1uup n GLY 2102CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uup s VAL 2103N -2.38 3.27 -0.01 1.61 1.01 -1.26 -1.62 120.40 121.02 1uup s VAL 2103Ca 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1uup s VAL 2103Cb 0.00 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1uup s VAL 2103CO 0.00 0.53 0.04 0.42 0.00 0.00 0.00 175.10 176.09 1uup s THR 2104N 0.11 0.03 0.32 3.92 -4.23 -1.01 -4.95 115.64 109.82 1uup s THR 2104Ca -0.05 -0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 59.95 1uup s THR 2104Cb -0.14 -0.14 -0.12 0.00 1.34 0.00 0.00 72.50 73.44 1uup s THR 2104CO 0.04 -0.12 1.44 0.59 -0.54 0.00 0.00 174.62 176.03 1uup n ASN 2105N 2.66 3.30 -0.06 3.99 3.02 -1.26 0.02 115.26 126.94 1uup n ASN 2105Ca -0.15 1.19 -0.04 0.00 -0.03 0.00 0.00 54.58 55.54 1uup n ASN 2105Cb 0.58 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.18 1uup n ASN 2105CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 1uup h HIS 2106N 3.54 0.00 -1.94 3.10 -0.00 -1.22 -3.42 115.15 115.22 1uup h HIS 2106Ca -0.47 0.00 -0.64 0.00 -0.00 0.00 0.00 60.37 59.26 1uup h HIS 2106Cb 1.26 0.00 0.04 0.00 -0.00 0.00 0.00 27.41 28.71 1uup h HIS 2106CO 0.54 0.29 0.76 0.39 -0.00 0.00 0.00 177.93 179.91 1uup n GLU 2107N -4.71 1.69 -1.11 5.26 4.71 -1.26 -1.94 120.64 123.29 1uup n GLU 2107Ca -0.04 0.61 -0.04 0.00 -0.01 0.00 0.00 57.16 57.69 1uup n GLU 2107Cb 0.16 -2.35 -0.02 0.00 -1.01 0.00 0.00 31.44 28.23 1uup n GLU 2107CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uup n GLY 2108N 3.43 0.62 0.57 0.62 0.00 -1.26 -4.90 105.19 104.27 1uup n GLY 2108Ca 0.20 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1uup n GLY 2108CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uup n ASN 2109N 0.13 2.43 -4.96 1.61 4.05 -0.82 -4.94 115.26 112.77 1uup n ASN 2109Ca -0.04 -1.72 -0.22 0.00 0.45 0.00 0.00 54.58 53.05 1uup n ASN 2109Cb 0.22 -0.11 -0.01 0.00 1.23 0.00 0.00 39.78 41.11 1uup n ASN 2109CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1uup s HIS 2110N -0.99 3.43 -0.01 1.20 3.76 -1.26 -1.29 115.29 120.13 1uup s HIS 2110Ca 0.19 0.16 0.07 0.00 -0.15 0.00 0.00 55.06 55.33 1uup s HIS 2110Cb 0.11 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 1uup s HIS 2110CO 0.16 0.19 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.50 1uup s LEU 2111N -4.20 2.06 0.24 0.89 1.43 -0.80 -4.81 118.68 113.49 1uup s LEU 2111Ca 0.39 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1uup s LEU 2111Cb -0.09 -1.15 0.28 0.00 0.03 0.00 0.00 46.19 45.26 1uup s LEU 2111CO 0.33 0.27 1.65 1.05 0.23 0.00 0.00 176.35 179.88 1uup h GLU 2112N 5.48 0.58 -5.23 1.70 4.11 -1.99 -3.41 114.58 115.82 1uup h GLU 2112Ca -0.41 -0.25 -0.66 0.00 0.07 0.00 0.00 59.36 58.11 1uup h GLU 2112Cb 1.14 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 30.09 1uup h GLU 2112CO 0.47 0.82 -0.76 0.42 0.07 0.00 0.00 179.01 180.02 1uup s ILE 2113N -4.43 3.03 0.45 -1.06 1.01 -1.26 -5.09 121.20 113.84 1uup s ILE 2113Ca -0.08 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 1uup s ILE 2113Cb 0.13 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1uup s ILE 2113CO 0.81 0.50 1.12 -2.65 0.00 0.00 0.00 174.94 174.73 1uup n PRO 2114N 3.88 1.53 -3.12 2.79 -0.02 -1.26 -4.92 135.00 133.88 1uup n PRO 2114Ca -0.18 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.44 1uup n PRO 2114Cb 0.52 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1uup n PRO 2114CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1uup s LYS 2115N -2.23 4.13 -0.01 -0.52 2.47 0.66 -4.82 119.74 119.43 1uup s LYS 2115Ca 0.64 0.56 -0.22 0.00 -1.56 0.00 0.00 55.97 55.39 1uup s LYS 2115Cb -0.51 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.17 1uup s LYS 2115CO 0.56 -0.37 0.64 0.15 0.16 0.00 0.00 175.35 176.49 1uup s LYS 2116N 2.35 4.37 -0.11 4.03 1.02 -1.26 -1.45 119.74 128.69 1uup s LYS 2116Ca 0.27 0.81 0.02 0.00 0.02 0.00 0.00 55.97 57.09 1uup s LYS 2116Cb -0.16 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1uup s LYS 2116CO 0.09 0.31 -0.18 0.42 -0.92 0.00 0.00 175.35 175.06 1uup s ILE 2117N -0.01 1.72 0.39 2.17 1.01 0.24 -4.94 121.20 121.77 1uup s ILE 2117Ca 0.33 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 1uup s ILE 2117Cb -0.19 -1.54 -0.09 0.00 0.01 0.00 0.00 42.46 40.66 1uup s ILE 2117CO 0.18 0.48 1.07 -0.69 0.00 0.00 0.00 174.94 175.98 1uup s VAL 2118N 0.82 3.63 -0.31 2.92 1.01 -1.26 -1.75 120.40 125.46 1uup s VAL 2118Ca -0.09 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1uup s VAL 2118Cb -0.16 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1uup s VAL 2118CO 0.00 0.04 0.03 -0.69 0.00 0.00 0.00 175.10 174.48 1uup s VAL 2119N -1.60 1.80 -0.32 2.92 1.01 0.14 -3.91 120.40 120.43 1uup s VAL 2119Ca 0.57 -1.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 1uup s VAL 2119Cb -0.24 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1uup s VAL 2119CO 0.30 -0.48 0.99 -0.54 0.00 0.00 0.00 175.10 175.36 1uup s LYS 2120N 1.18 4.01 -0.19 2.72 1.02 -1.00 -2.21 119.74 125.27 1uup s LYS 2120Ca 0.06 0.88 -0.07 0.00 0.02 0.00 0.00 55.97 56.87 1uup s LYS 2120Cb -0.19 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 1uup s LYS 2120CO -0.12 -0.86 0.04 0.08 -0.92 0.00 0.00 175.35 173.58 1uup s VAL 2121N 3.47 4.54 -0.09 3.17 1.01 0.26 -0.69 120.40 132.07 1uup s VAL 2121Ca 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1uup s VAL 2121Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1uup s VAL 2121CO 0.15 0.45 -0.03 -0.44 0.00 0.00 0.00 175.10 175.24 1uup s SER 2122N 0.54 4.99 -0.21 3.32 0.01 0.20 -3.83 113.70 118.72 1uup s SER 2122Ca 0.02 0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.31 1uup s SER 2122Cb -0.13 -1.40 0.07 0.00 0.21 0.00 0.00 66.02 64.76 1uup s SER 2122CO 0.01 0.35 0.05 -0.63 0.41 0.00 0.00 173.24 173.43 1uup s ILE 2123N -0.72 0.48 -1.11 1.44 1.01 0.86 -0.47 121.20 122.70 1uup s ILE 2123Ca 0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1uup s ILE 2123Cb -0.11 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.29 1uup s ILE 2123CO 0.02 -0.29 0.93 0.47 0.00 0.00 0.00 174.94 176.07 1uup n ASP 2124N 5.06 -2.78 0.00 3.58 8.00 0.24 -2.31 116.55 128.34 1uup n ASP 2124Ca -0.08 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1uup n ASP 2124Cb 0.46 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.91 1uup n ASP 2124CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uup n GLY 2125N -1.26 2.23 3.76 0.44 0.00 -1.26 -4.97 105.19 104.13 1uup n GLY 2125Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1uup n GLY 2125CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uup s ILE 2126N -2.27 5.32 -0.75 -0.61 -1.09 -0.98 -5.04 121.20 115.78 1uup s ILE 2126Ca 0.00 0.49 0.04 0.00 -2.23 0.00 0.00 60.65 58.94 1uup s ILE 2126Cb 0.00 -3.59 0.19 0.00 -1.58 0.00 0.00 42.46 37.48 1uup s ILE 2126CO 0.00 0.45 0.61 1.67 -1.23 0.00 0.00 174.94 176.43 1uup n GLN 2127N 3.18 2.15 -0.07 2.79 0.00 -1.26 -0.10 117.38 124.07 1uup n GLN 2127Ca -0.14 -4.52 -0.08 0.00 -0.00 0.00 0.00 57.00 52.27 1uup n GLN 2127Cb 0.52 -2.32 -0.08 0.00 0.00 0.00 0.00 30.24 28.36 1uup n GLN 2127CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1uup n SER 2128N 1.89 2.48 -4.74 1.69 3.41 -1.25 -5.00 113.62 112.09 1uup n SER 2128Ca 0.22 -0.04 -0.40 0.00 -0.26 0.00 0.00 58.87 58.38 1uup n SER 2128Cb 0.36 0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 1uup n SER 2128CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1uup s LEU 2129N -5.36 4.48 0.01 1.04 2.96 -1.25 -5.00 118.68 115.57 1uup s LEU 2129Ca -0.13 1.62 -0.11 0.00 -0.22 0.00 0.00 54.13 55.29 1uup s LEU 2129Cb 0.04 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.34 1uup s LEU 2129CO 0.41 -0.01 0.22 -0.94 -1.32 0.00 0.00 176.35 174.71 1uup s SER 2130N -0.08 -0.05 0.21 3.68 1.04 -1.26 -0.57 113.70 116.67 1uup s SER 2130Ca 0.42 -0.17 -0.20 0.00 0.48 0.00 0.00 55.95 56.48 1uup s SER 2130Cb -0.22 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.22 1uup s SER 2130CO 0.26 -0.48 0.59 0.72 0.98 0.00 0.00 173.24 175.32 1uup s PHE 2131N -1.88 -0.24 0.38 5.02 -0.12 -0.94 -4.96 117.98 115.25 1uup s PHE 2131Ca -0.10 -0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.67 1uup s PHE 2131Cb -0.04 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1uup s PHE 2131CO 0.00 -0.99 0.60 -0.51 -0.05 0.00 0.00 175.22 174.28 1uup s ASP 2132N -2.86 6.20 0.04 1.98 -0.00 -1.26 -0.68 116.67 120.09 1uup s ASP 2132Ca 0.08 0.48 -0.10 0.00 -0.00 0.00 0.00 52.55 53.01 1uup s ASP 2132Cb -0.02 -1.96 0.00 0.00 -0.00 0.00 0.00 42.92 40.94 1uup s ASP 2132CO -0.03 -0.41 0.20 -0.51 -0.00 0.00 0.00 175.17 174.42 1uup s ILE 2133N -2.42 0.11 0.13 0.77 1.10 -0.71 -4.93 121.20 115.25 1uup s ILE 2133Ca 0.42 -0.89 -0.09 0.00 -0.51 0.00 0.00 60.65 59.59 1uup s ILE 2133Cb -0.10 -0.91 -0.01 0.00 0.15 0.00 0.00 42.46 41.59 1uup s ILE 2133CO 0.38 -0.49 0.24 -1.83 -2.11 0.00 0.00 174.94 171.13 1uup s GLU 2134N -2.57 1.03 0.00 3.50 -1.05 -1.26 0.81 118.70 119.16 1uup s GLU 2134Ca -0.05 -1.10 -0.23 0.00 -0.15 0.00 0.00 54.97 53.45 1uup s GLU 2134Cb -0.01 0.36 0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1uup s GLU 2134CO -0.04 -0.36 0.50 -0.08 0.95 0.00 0.00 175.26 176.24 1uup s THR 2135N -3.93 0.03 -2.24 1.83 -1.32 -0.53 -4.91 115.64 104.57 1uup s THR 2135Ca 0.13 -0.25 0.20 0.00 -1.21 0.00 0.00 61.69 60.55 1uup s THR 2135Cb 0.04 -0.89 0.46 0.00 -1.51 0.00 0.00 72.50 70.60 1uup s THR 2135CO -0.04 -0.14 1.44 0.59 -2.21 0.00 0.00 174.62 174.26 1uup n ASN 2136N 0.79 2.79 -4.57 8.08 3.02 -1.26 -0.24 115.26 123.87 1uup n ASN 2136Ca -0.19 -1.92 -0.34 0.00 -0.03 0.00 0.00 54.58 52.09 1uup n ASN 2136Cb 0.58 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 39.38 1uup n ASN 2136CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1uup s LYS 2137N -1.48 3.57 0.02 3.52 1.02 -1.26 -1.91 119.74 123.21 1uup s LYS 2137Ca 0.36 -0.46 -0.24 0.00 0.02 0.00 0.00 55.97 55.65 1uup s LYS 2137Cb 0.20 -2.94 -0.17 0.00 -0.52 0.00 0.00 37.83 34.40 1uup s LYS 2137CO 0.28 0.36 1.39 0.87 -0.92 0.00 0.00 175.35 177.32 1uup h LYS 2138N 6.33 0.10 -4.79 1.68 1.57 -1.51 -3.39 116.57 116.57 1uup h LYS 2138Ca -0.37 -0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 57.69 1uup h LYS 2138Cb 1.19 -0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.24 1uup h LYS 2138CO 0.62 0.45 -0.61 -1.64 -0.57 0.00 0.00 179.45 177.71 1uup s MET 2139N -4.68 3.11 0.19 3.15 -1.94 -1.26 0.18 119.30 118.06 1uup s MET 2139Ca -0.15 -0.85 0.10 0.00 -1.71 0.00 0.00 55.69 53.08 1uup s MET 2139Cb 0.04 -3.42 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 1uup s MET 2139CO 0.69 -0.45 -0.22 0.54 -0.01 0.00 0.00 175.02 175.57 1uup s VAL 2140N 1.52 2.15 0.51 -6.03 0.11 -0.05 -4.88 120.40 113.73 1uup s VAL 2140Ca 0.03 -2.00 -0.17 0.00 -2.93 0.00 0.00 61.98 56.90 1uup s VAL 2140Cb -0.17 -2.02 -0.08 0.00 -1.53 0.00 0.00 36.38 32.58 1uup s VAL 2140CO 0.03 -0.21 0.99 0.42 -3.33 0.00 0.00 175.10 173.00 1uup s THR 2141N -1.85 4.43 -0.13 5.04 -4.23 -1.26 0.16 115.64 117.81 1uup s THR 2141Ca 0.19 1.23 0.29 0.00 -1.18 0.00 0.00 61.69 62.22 1uup s THR 2141Cb -0.07 -3.67 0.31 0.00 1.34 0.00 0.00 72.50 70.42 1uup s THR 2141CO 0.09 -0.61 1.87 0.00 -0.54 0.00 0.00 174.62 175.43 1uup h ALA 2142N 1.04 1.00 -0.26 3.99 0.00 -1.07 -2.57 119.26 121.39 1uup h ALA 2142Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 1uup h ALA 2142Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1uup h ALA 2142CO 0.61 0.00 -0.20 0.37 0.00 0.00 0.00 179.25 180.03 1uup h GLN 2143N 0.00 0.60 0.05 0.00 4.15 -1.91 -0.49 115.11 117.50 1uup h GLN 2143Ca 0.00 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1uup h GLN 2143Cb 0.33 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1uup h GLN 2143CO 0.00 0.88 -0.02 1.49 -1.93 0.00 0.00 178.83 179.25 1uup h GLU 2144N 0.32 -0.06 -0.24 1.69 4.81 -1.72 0.28 114.58 119.67 1uup h GLU 2144Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1uup h GLU 2144Cb 0.74 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1uup h GLU 2144CO 0.05 -0.01 0.12 -0.07 -0.73 0.00 0.00 179.01 178.37 1uup h LEU 2145N -0.09 0.31 -0.38 1.64 3.38 -1.57 -1.81 115.31 116.78 1uup h LEU 2145Ca -0.01 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1uup h LEU 2145Cb 0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1uup h LEU 2145CO 0.01 0.33 0.11 -0.78 0.09 0.00 0.00 178.44 178.20 1uup h ASP 2146N 0.27 0.08 -0.37 -0.43 3.58 -0.90 0.40 116.42 119.05 1uup h ASP 2146Ca 0.08 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.60 1uup h ASP 2146Cb 0.10 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1uup h ASP 2146CO -0.01 0.08 0.21 0.22 -2.88 0.00 0.00 179.24 176.86 1uup h TYR 2147N 0.25 0.39 -0.48 0.28 3.20 -0.76 -0.39 116.97 119.46 1uup h TYR 2147Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1uup h TYR 2147Cb 0.18 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1uup h TYR 2147CO -0.17 0.23 0.24 0.87 -1.64 0.00 0.00 178.16 177.69 1uup h LYS 2148N 0.43 0.66 0.25 1.82 1.57 -0.77 0.03 116.57 120.57 1uup h LYS 2148Ca 0.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1uup h LYS 2148Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1uup h LYS 2148CO -0.08 0.51 -0.12 0.28 -0.57 0.00 0.00 179.45 179.47 1uup h VAL 2149N 0.67 0.80 -0.42 0.50 2.07 0.14 -2.47 116.25 117.54 1uup h VAL 2149Ca 0.17 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1uup h VAL 2149Cb 0.06 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1uup h VAL 2149CO -0.02 0.12 -0.00 0.03 0.02 0.00 0.00 177.57 177.72 1uup h ARG 2150N -0.66 0.68 -0.51 1.57 3.08 -0.97 -1.06 114.38 116.51 1uup h ARG 2150Ca -0.03 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1uup h ARG 2150Cb 0.46 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1uup h ARG 2150CO 0.06 0.70 0.32 -0.22 -1.07 0.00 0.00 179.97 179.75 1uup h LYS 2151N 0.64 0.62 -0.25 0.04 1.63 -0.99 0.28 116.57 118.54 1uup h LYS 2151Ca 0.13 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1uup h LYS 2151Cb 0.40 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1uup h LYS 2151CO 0.02 0.41 0.04 -0.92 -3.45 0.00 0.00 179.45 175.55 1uup h TYR 2152N 0.64 0.45 0.00 1.91 3.20 -1.07 -2.14 116.97 119.95 1uup h TYR 2152Ca 0.20 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1uup h TYR 2152Cb -0.01 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 1uup h TYR 2152CO -0.06 0.53 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.76 1uup h LEU 2153N 0.23 0.00 0.03 2.82 3.38 -0.86 -1.15 115.31 119.75 1uup h LEU 2153Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uup h LEU 2153Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1uup h LEU 2153CO 0.00 0.17 -0.01 0.74 0.09 0.00 0.00 178.44 179.43 1uup h THR 2154N 0.00 1.39 0.00 0.22 2.02 -0.26 -0.42 112.91 115.86 1uup h THR 2154Ca -0.00 -1.81 -0.04 0.00 0.77 0.00 0.00 66.41 65.33 1uup h THR 2154Cb 0.61 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 1uup h THR 2154CO 0.02 0.43 -0.19 0.44 0.37 0.00 0.00 175.52 176.60 1uup h ASP 2155N -0.89 0.00 0.00 4.18 3.45 -1.34 -2.06 116.42 119.75 1uup h ASP 2155Ca -0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.27 1uup h ASP 2155Cb 0.73 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.47 1uup h ASP 2155CO 0.01 0.19 -1.71 0.59 -1.57 0.00 0.00 179.24 176.74 1uup n ASN 2156N -3.43 2.42 0.00 6.45 3.02 -0.44 -4.75 115.26 118.53 1uup n ASN 2156Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1uup n ASN 2156Cb 0.37 0.79 0.00 0.00 -0.61 0.00 0.00 39.78 40.33 1uup n ASN 2156CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 2157N -2.37 0.46 -2.93 3.52 4.76 -0.30 -5.02 118.16 116.28 1uup n LYS 2157Ca -0.16 -0.77 -0.22 0.00 -2.87 0.00 0.00 58.31 54.29 1uup n LYS 2157Cb 0.82 -0.92 0.03 0.00 -1.84 0.00 0.00 35.03 33.12 1uup n LYS 2157CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1uup n GLN 2158N -0.16 -4.46 -0.29 1.97 3.00 -0.40 -4.87 117.38 112.17 1uup n GLN 2158Ca 0.00 0.91 0.10 0.00 -0.01 0.00 0.00 57.00 58.01 1uup n GLN 2158Cb 0.14 -5.73 0.24 0.00 0.00 0.00 0.00 30.24 24.89 1uup n GLN 2158CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1uup h LEU 2159N -1.21 -0.22 -9.44 1.08 5.85 -1.42 -3.38 115.31 106.57 1uup h LEU 2159Ca -0.52 0.21 -0.56 0.00 0.84 0.00 0.00 57.88 57.85 1uup h LEU 2159Cb 1.36 0.34 -0.13 0.00 0.37 0.00 0.00 40.66 42.60 1uup h LEU 2159CO 0.56 -0.20 -0.61 -0.31 -0.34 0.00 0.00 178.44 177.54 1uup s TYR 2160N -6.02 2.26 0.25 1.25 4.12 -1.26 -4.54 117.35 113.41 1uup s TYR 2160Ca -0.13 -0.77 -0.22 0.00 0.02 0.00 0.00 57.07 55.97 1uup s TYR 2160Cb 0.25 -1.52 0.04 0.00 -1.52 0.00 0.00 41.96 39.21 1uup s TYR 2160CO 0.77 0.28 0.83 0.95 0.02 0.00 0.00 175.55 178.39 1uup s THR 2161N -2.95 0.00 -1.45 -0.71 -4.23 -1.26 -4.89 115.64 100.14 1uup s THR 2161Ca 0.35 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.87 1uup s THR 2161Cb 0.09 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.78 1uup s THR 2161CO 0.17 0.00 2.32 -3.20 -0.54 0.00 0.00 174.62 173.37 1uup n ASN 2162N -0.66 5.27 0.00 3.99 5.15 -1.26 -4.45 115.26 123.30 1uup n ASN 2162Ca -0.05 -2.85 0.00 0.00 -0.60 0.00 0.00 54.58 51.08 1uup n ASN 2162Cb 0.60 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 1uup n ASN 2162CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uup n GLY 2163N 3.64 -0.19 3.60 8.20 0.00 -1.26 -4.93 105.19 114.25 1uup n GLY 2163Ca 0.56 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 1uup n GLY 2163CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uup s PRO 2164N -2.00 0.16 0.11 1.61 0.04 -1.26 -4.30 135.00 129.36 1uup s PRO 2164Ca 0.00 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.08 1uup s PRO 2164Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1uup s PRO 2164CO 0.00 -3.03 -0.11 0.45 0.04 0.00 0.00 177.00 174.35 1uup s SER 2165N -2.86 4.33 0.40 6.66 0.15 -1.26 -4.35 113.70 116.78 1uup s SER 2165Ca 0.67 -0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.19 1uup s SER 2165Cb -0.22 -0.80 1.17 0.00 -1.71 0.00 0.00 66.02 64.46 1uup s SER 2165CO 0.61 0.18 1.85 0.07 1.20 0.00 0.00 173.24 177.14 1uup h LYS 2166N 3.62 0.00 -5.71 5.44 2.10 -1.80 -3.43 116.57 116.79 1uup h LYS 2166Ca -0.49 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.50 1uup h LYS 2166Cb 1.17 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.43 1uup h LYS 2166CO 0.51 0.00 -0.44 0.71 -2.00 0.00 0.00 179.45 178.23 1uup s TYR 2167N -3.49 3.61 -0.20 0.07 2.02 -1.26 -0.41 117.35 117.69 1uup s TYR 2167Ca 0.03 0.57 -0.22 0.00 -0.37 0.00 0.00 57.07 57.08 1uup s TYR 2167Cb 0.09 -1.97 -0.20 0.00 -0.40 0.00 0.00 41.96 39.48 1uup s TYR 2167CO 0.47 0.72 0.25 1.49 -1.57 0.00 0.00 175.55 176.90 1uup h GLU 2168N 4.81 0.00 -6.14 -0.62 4.57 -1.12 -3.43 114.58 112.64 1uup h GLU 2168Ca -0.54 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.07 1uup h GLU 2168Cb 1.22 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.64 1uup h GLU 2168CO 0.60 1.00 -0.78 0.95 -1.18 0.00 0.00 179.01 179.59 1uup s THR 2169N -2.35 2.09 -0.29 0.32 -4.23 -1.21 -0.17 115.64 109.79 1uup s THR 2169Ca -0.28 -2.08 -0.25 0.00 -1.18 0.00 0.00 61.69 57.90 1uup s THR 2169Cb 0.05 -2.03 0.19 0.00 1.34 0.00 0.00 72.50 72.05 1uup s THR 2169CO 0.60 -0.30 1.41 -0.83 -0.54 0.00 0.00 174.62 174.95 1uup s GLY 2170N -2.90 0.30 -0.00 3.99 0.00 -1.26 -2.80 107.32 104.65 1uup s GLY 2170Ca 0.21 3.40 -0.20 0.00 0.00 0.00 0.00 44.72 48.12 1uup s GLY 2170CO 0.09 1.85 0.45 -2.52 0.00 0.00 0.00 173.10 172.97 1uup s TYR 2171N -0.07 -0.34 -0.23 1.90 -0.85 -0.99 -0.08 117.35 116.69 1uup s TYR 2171Ca 0.07 0.48 -0.03 0.00 -0.52 0.00 0.00 57.07 57.07 1uup s TYR 2171Cb -0.05 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.53 1uup s TYR 2171CO -0.14 -0.52 -0.05 -1.50 -1.52 0.00 0.00 175.55 171.82 1uup s ILE 2172N -1.73 3.19 -0.27 -3.49 2.07 -0.52 -1.87 121.20 118.58 1uup s ILE 2172Ca -0.10 -0.69 -0.09 0.00 -1.41 0.00 0.00 60.65 58.36 1uup s ILE 2172Cb -0.02 -2.51 -0.03 0.00 0.13 0.00 0.00 42.46 40.03 1uup s ILE 2172CO 0.03 0.34 0.13 -0.75 -1.91 0.00 0.00 174.94 172.78 1uup s LYS 2173N 1.42 3.68 0.04 3.50 2.20 0.58 -1.52 119.74 129.64 1uup s LYS 2173Ca 0.04 -0.48 -0.14 0.00 -0.36 0.00 0.00 55.97 55.03 1uup s LYS 2173Cb -0.15 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1uup s LYS 2173CO -0.04 -0.24 0.43 -0.06 -0.36 0.00 0.00 175.35 175.08 1uup s PHE 2174N 1.66 3.70 -0.35 4.03 0.40 0.19 -1.84 117.98 125.78 1uup s PHE 2174Ca 0.06 0.98 0.02 0.00 -0.60 0.00 0.00 56.93 57.40 1uup s PHE 2174Cb -0.16 -2.29 0.10 0.00 0.51 0.00 0.00 43.02 41.19 1uup s PHE 2174CO 0.07 0.60 0.09 0.42 0.70 0.00 0.00 175.22 177.09 1uup s ILE 2175N -1.18 1.79 1.04 0.64 1.01 -0.97 -1.60 121.20 121.93 1uup s ILE 2175Ca 0.27 -2.11 -0.12 0.00 0.00 0.00 0.00 60.65 58.69 1uup s ILE 2175Cb -0.16 -2.32 0.21 0.00 0.01 0.00 0.00 42.46 40.20 1uup s ILE 2175CO 0.15 -0.65 1.07 -2.84 0.00 0.00 0.00 174.94 172.67 1uup s PRO 2176N 1.03 0.06 0.00 2.79 0.02 -1.26 -2.48 135.00 135.16 1uup s PRO 2176Ca 0.11 0.71 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1uup s PRO 2176Cb -0.19 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1uup s PRO 2176CO -0.13 -3.03 0.74 1.17 -0.33 0.00 0.00 177.00 175.42 1uup n LYS 2177N -4.41 0.00 -0.04 5.54 4.81 -1.26 -4.44 118.16 118.36 1uup n LYS 2177Ca 0.05 0.49 -0.04 0.00 -0.87 0.00 0.00 58.31 57.94 1uup n LYS 2177Cb 0.56 -1.24 -0.06 0.00 0.02 0.00 0.00 35.03 34.31 1uup n LYS 2177CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1uup n ASN 2178N -1.59 2.98 -4.05 3.14 3.02 -1.26 -5.04 115.26 112.47 1uup n ASN 2178Ca 0.00 -0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1uup n ASN 2178Cb 0.00 0.67 0.25 0.00 -0.61 0.00 0.00 39.78 40.09 1uup n ASN 2178CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uup n LYS 2179N -2.33 -3.06 -2.44 3.52 4.01 -1.26 -4.96 118.16 111.65 1uup n LYS 2179Ca -0.14 -0.88 -0.39 0.00 -0.51 0.00 0.00 58.31 56.39 1uup n LYS 2179Cb 0.76 -1.97 -0.04 0.00 -0.51 0.00 0.00 35.03 33.28 1uup n LYS 2179CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1uup s GLU 2180N -4.32 4.38 0.84 1.97 2.56 -1.26 -4.45 118.70 118.41 1uup s GLU 2180Ca 0.64 1.75 -0.12 0.00 0.00 0.00 0.00 54.97 57.24 1uup s GLU 2180Cb -0.19 -2.90 0.12 0.00 2.00 0.00 0.00 34.13 33.17 1uup s GLU 2180CO 0.61 -0.01 1.19 -1.54 -0.56 0.00 0.00 175.26 174.95 1uup s SER 2181N -1.11 4.07 0.18 -1.70 1.04 -1.26 -4.50 113.70 110.42 1uup s SER 2181Ca 0.51 0.48 -0.20 0.00 0.48 0.00 0.00 55.95 57.21 1uup s SER 2181Cb -0.29 -0.84 0.05 0.00 0.10 0.00 0.00 66.02 65.04 1uup s SER 2181CO 0.37 -2.14 0.57 0.72 0.98 0.00 0.00 173.24 173.75 1uup s PHE 2182N -3.61 -0.35 0.01 5.02 -0.12 -0.63 -2.54 117.98 115.77 1uup s PHE 2182Ca 0.66 0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 57.56 1uup s PHE 2182Cb -0.08 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 1uup s PHE 2182CO 0.49 -0.90 0.06 1.67 -0.05 0.00 0.00 175.22 176.49 1uup s TRP 2183N -3.81 0.13 -0.08 3.49 1.48 -1.26 0.57 118.94 119.46 1uup s TRP 2183Ca 0.05 -0.29 0.04 0.00 -1.06 0.00 0.00 56.10 54.84 1uup s TRP 2183Cb -0.01 -0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.18 1uup s TRP 2183CO -0.08 -0.23 -0.20 -0.06 -4.06 0.00 0.00 176.95 172.32 1uup s PHE 2184N -1.33 2.59 0.05 1.66 2.99 -0.57 -4.96 117.98 118.41 1uup s PHE 2184Ca -0.14 -0.63 -0.30 0.00 0.00 0.00 0.00 56.93 55.85 1uup s PHE 2184Cb -0.08 -1.68 -0.04 0.00 0.00 0.00 0.00 43.02 41.22 1uup s PHE 2184CO 0.00 -0.16 0.99 0.34 -0.00 0.00 0.00 175.22 176.40 1uup s ASP 2185N -0.09 7.39 0.51 1.36 3.68 -1.26 -1.44 116.67 126.83 1uup s ASP 2185Ca -0.04 1.75 0.30 0.00 2.13 0.00 0.00 52.55 56.69 1uup s ASP 2185Cb -0.14 -2.58 1.18 0.00 -1.45 0.00 0.00 42.92 39.93 1uup s ASP 2185CO 0.04 -0.20 1.92 -0.26 0.13 0.00 0.00 175.17 176.79 1uup h PHE 2186N 6.30 0.00 -3.92 -5.34 0.05 -0.85 -3.44 116.94 109.74 1uup h PHE 2186Ca -0.42 0.00 -0.69 0.00 3.82 0.00 0.00 57.97 60.69 1uup h PHE 2186Cb 1.22 0.00 -0.29 0.00 2.00 0.00 0.00 35.95 38.87 1uup h PHE 2186CO 0.67 0.06 -0.85 -0.06 -0.18 0.00 0.00 178.31 177.95 1uup s PHE 2187N -3.63 2.54 1.08 -0.55 0.40 -1.26 -5.04 117.98 111.52 1uup s PHE 2187Ca 0.01 -0.61 -0.18 0.00 -0.60 0.00 0.00 56.93 55.56 1uup s PHE 2187Cb 0.09 -1.64 0.25 0.00 0.51 0.00 0.00 43.02 42.23 1uup s PHE 2187CO 0.58 -0.14 1.25 -1.25 0.70 0.00 0.00 175.22 176.36 1uup s PRO 2188N -0.19 -0.29 0.78 0.24 0.04 -1.26 -4.59 135.00 129.72 1uup s PRO 2188Ca -0.02 -0.36 -0.11 0.00 0.04 0.00 0.00 61.00 60.55 1uup s PRO 2188Cb -0.13 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.73 1uup s PRO 2188CO 0.03 -3.04 1.08 -1.21 0.04 0.00 0.00 177.00 173.90 1uup s GLU 2189N -5.76 2.23 0.21 4.56 2.02 -1.26 -4.82 118.70 115.88 1uup s GLU 2189Ca 0.74 0.98 -0.18 0.00 0.02 0.00 0.00 54.97 56.53 1uup s GLU 2189Cb -0.05 -1.91 0.20 0.00 0.10 0.00 0.00 34.13 32.47 1uup s GLU 2189CO 0.54 -1.61 1.58 -1.35 0.02 0.00 0.00 175.26 174.44 1uup h PRO 2190N -1.09 -0.08 -4.81 0.39 0.11 -1.90 -3.33 132.00 121.29 1uup h PRO 2190Ca -0.45 0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 1uup h PRO 2190Cb 1.24 0.02 -0.29 0.00 0.11 0.00 0.00 31.00 32.08 1uup h PRO 2190CO 0.54 -0.05 -0.66 -1.21 -0.21 0.00 0.00 178.00 176.41 1uup s GLU 2191N -6.02 2.88 0.32 1.05 0.41 -1.26 -0.89 118.70 115.18 1uup s GLU 2191Ca -0.14 -0.98 0.06 0.00 -0.41 0.00 0.00 54.97 53.49 1uup s GLU 2191Cb 0.19 -3.26 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1uup s GLU 2191CO 0.71 -0.48 0.22 1.97 -0.49 0.00 0.00 175.26 177.19 1uup n PHE 2192N 4.78 -0.49 -3.87 1.61 1.16 -1.25 -5.09 117.46 114.31 1uup n PHE 2192Ca -0.15 -2.46 -0.14 0.00 -1.87 0.00 0.00 57.45 52.83 1uup n PHE 2192Cb 0.47 0.19 -0.15 0.00 -1.61 0.00 0.00 39.48 38.38 1uup n PHE 2192CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1uup s THR 2193N -3.13 0.03 0.27 1.97 -1.32 -1.26 -5.05 115.64 107.15 1uup s THR 2193Ca 0.31 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.83 1uup s THR 2193Cb 0.02 -0.08 0.26 0.00 -1.51 0.00 0.00 72.50 71.19 1uup s THR 2193CO 0.22 0.05 1.83 1.56 -2.21 0.00 0.00 174.62 176.07 1uup h GLN 2194N 6.53 0.92 -0.72 7.08 4.20 -1.93 -0.54 115.11 130.66 1uup h GLN 2194Ca -0.32 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.38 1uup h GLN 2194Cb 1.18 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 1uup h GLN 2194CO 0.50 0.61 0.44 1.03 -0.67 0.00 0.00 178.83 180.74 1uup h SER 2195N 0.95 0.69 0.04 1.46 0.87 -1.97 -1.05 113.55 114.54 1uup h SER 2195Ca 0.46 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1uup h SER 2195Cb 0.40 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1uup h SER 2195CO -0.25 0.47 -0.02 0.11 -0.53 0.00 0.00 176.83 176.61 1uup h LYS 2196N 0.83 -0.05 -0.21 2.24 1.79 -1.73 -3.32 116.57 116.12 1uup h LYS 2196Ca 0.30 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.83 1uup h LYS 2196Cb 0.09 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.69 1uup h LYS 2196CO -0.14 0.46 -0.21 -0.92 -1.08 0.00 0.00 179.45 177.57 1uup h TYR 2197N -0.59 -0.53 0.00 -1.35 3.20 -1.01 -1.97 116.97 114.71 1uup h TYR 2197Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1uup h TYR 2197Cb 0.53 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1uup h TYR 2197CO 0.10 -0.28 0.02 1.28 -1.64 0.00 0.00 178.16 177.65 1uup n LEU 2198N -5.35 0.00 0.26 2.82 4.77 -0.41 -2.88 117.00 116.21 1uup n LEU 2198Ca -0.01 0.26 0.17 0.00 -0.03 0.00 0.00 56.01 56.39 1uup n LEU 2198Cb 0.26 -0.26 0.89 0.00 -2.33 0.00 0.00 43.42 41.99 1uup n LEU 2198CO 0.17 -0.26 1.02 0.24 -1.33 0.00 0.00 177.39 177.23 1uup h MET 2199N 0.00 0.00 0.00 3.23 2.86 -1.46 -1.72 114.93 117.85 1uup h MET 2199Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uup h MET 2199Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1uup h MET 2199CO 0.00 0.00 0.01 0.44 1.06 0.00 0.00 176.91 178.42 1uup n ILE 2200N -2.68 0.94 0.42 -1.22 -5.35 -1.14 -0.96 119.36 109.38 1uup n ILE 2200Ca -0.02 0.24 0.04 0.00 -0.27 0.00 0.00 62.75 62.75 1uup n ILE 2200Cb 0.10 -1.24 -0.04 0.00 -1.74 0.00 0.00 39.64 36.71 1uup n ILE 2200CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1uup n TYR 2201N -1.23 0.00 -0.31 4.28 4.01 -0.65 -4.69 117.16 118.58 1uup n TYR 2201Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 1uup n TYR 2201Cb 0.01 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.22 1uup n TYR 2201CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1uup h LYS 2202N 0.22 0.81 0.00 -0.72 3.64 -1.22 -1.12 116.57 118.19 1uup h LYS 2202Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1uup h LYS 2202Cb 0.23 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1uup h LYS 2202CO 0.00 0.54 -0.00 0.38 -2.27 0.00 0.00 179.45 178.09 1uup h ASP 2203N 0.84 0.00 -2.63 4.20 3.04 -1.84 -2.71 116.42 117.31 1uup h ASP 2203Ca 0.42 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.96 1uup h ASP 2203Cb 0.40 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.71 1uup h ASP 2203CO -0.25 0.00 -0.36 -3.20 -2.04 0.00 0.00 179.24 173.39 1uup n ASN 2204N -3.21 -4.24 -4.64 4.15 5.15 -0.43 -4.64 115.26 107.40 1uup n ASN 2204Ca -0.03 -0.13 -0.45 0.00 -0.60 0.00 0.00 54.58 53.36 1uup n ASN 2204Cb 0.09 -3.20 -0.04 0.00 -0.53 0.00 0.00 39.78 36.10 1uup n ASN 2204CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1uup n GLU 2205N -2.61 2.31 -4.31 1.20 -0.58 -1.26 -4.87 120.64 110.53 1uup n GLU 2205Ca -0.09 0.81 -0.25 0.00 -0.42 0.00 0.00 57.16 57.21 1uup n GLU 2205Cb 0.58 -2.86 -0.09 0.00 -0.57 0.00 0.00 31.44 28.50 1uup n GLU 2205CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1uup s THR 2206N 5.18 3.22 0.25 2.62 -4.23 -1.26 -0.41 115.64 121.02 1uup s THR 2206Ca 0.94 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1uup s THR 2206Cb -0.55 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 1uup s THR 2206CO 0.45 -0.23 0.02 -0.76 -0.54 0.00 0.00 174.62 173.57 1uup s LEU 2207N -3.19 2.11 -0.48 4.79 1.43 0.43 -4.88 118.68 118.89 1uup s LEU 2207Ca 0.28 -1.27 -0.26 0.00 -1.03 0.00 0.00 54.13 51.84 1uup s LEU 2207Cb -0.08 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 45.92 1uup s LEU 2207CO 0.17 -0.56 0.98 -0.62 0.23 0.00 0.00 176.35 176.55 1uup s ASP 2208N -3.34 6.51 0.34 2.29 2.15 -1.26 -0.87 116.67 122.48 1uup s ASP 2208Ca 0.31 0.14 0.25 0.00 0.43 0.00 0.00 52.55 53.68 1uup s ASP 2208Cb 0.07 -2.47 1.20 0.00 -0.30 0.00 0.00 42.92 41.41 1uup s ASP 2208CO 0.11 -1.13 1.76 0.77 -0.17 0.00 0.00 175.17 176.51 1uup h SER 2209N 9.15 0.00 0.61 -0.34 4.64 -0.49 -2.27 113.55 124.85 1uup h SER 2209Ca -0.24 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.83 1uup h SER 2209Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1uup h SER 2209CO 1.06 0.00 -1.13 -1.13 -0.87 0.00 0.00 176.83 174.76 1uup h ASN 2210N 0.00 0.39 -0.00 4.97 -1.24 -1.89 -3.39 115.58 114.42 1uup h ASN 2210Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 56.63 1uup h ASN 2210Cb 0.20 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1uup h ASN 2210CO 0.00 1.26 -0.01 0.35 -1.29 0.00 0.00 177.43 177.74 1uup n THR 2211N -3.57 0.00 -2.84 -3.57 -2.24 -1.12 -5.06 114.28 95.88 1uup n THR 2211Ca -0.07 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 1uup n THR 2211Cb 0.96 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 70.14 1uup n THR 2211CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1uup s SER 2212N -0.36 7.04 0.27 3.42 0.01 -0.87 -4.56 113.70 118.65 1uup s SER 2212Ca 0.01 1.69 0.09 0.00 1.31 0.00 0.00 55.95 59.05 1uup s SER 2212Cb 0.01 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1uup s SER 2212CO 0.03 -0.26 0.04 -1.10 0.41 0.00 0.00 173.24 172.36 1uup s GLN 2213N -2.82 2.42 -0.02 12.44 -0.21 -1.03 -4.88 119.66 125.56 1uup s GLN 2213Ca 0.58 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.60 1uup s GLN 2213Cb -0.12 -2.24 0.02 0.00 1.00 0.00 0.00 33.01 31.67 1uup s GLN 2213CO 0.17 0.35 -0.00 0.42 -2.12 0.00 0.00 175.29 174.11 1uup s ILE 2214N -2.30 0.16 -0.03 1.08 1.01 -1.25 -2.30 121.20 117.57 1uup s ILE 2214Ca 0.32 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1uup s ILE 2214Cb -0.06 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1uup s ILE 2214CO 0.21 0.11 -0.02 -1.61 0.00 0.00 0.00 174.94 173.63 1uup s GLU 2215N 0.71 0.52 -0.08 2.79 2.02 -0.76 -2.36 118.70 121.52 1uup s GLU 2215Ca -0.07 -0.01 0.02 0.00 0.02 0.00 0.00 54.97 54.93 1uup s GLU 2215Cb -0.10 -0.62 -0.02 0.00 0.10 0.00 0.00 34.13 33.49 1uup s GLU 2215CO -0.01 -0.10 -0.14 0.08 0.02 0.00 0.00 175.26 175.10 1uup s VAL 2216N 0.92 3.01 -0.02 2.63 1.01 0.13 -0.31 120.40 127.77 1uup s VAL 2216Ca -0.11 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1uup s VAL 2216Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1uup s VAL 2216CO -0.01 0.56 -0.25 -0.31 0.00 0.00 0.00 175.10 175.09 1uup s TYR 2217N -0.23 2.26 0.03 5.22 2.02 -0.78 0.59 117.35 126.46 1uup s TYR 2217Ca 0.01 -0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1uup s TYR 2217Cb -0.13 -1.46 -0.00 0.00 -0.40 0.00 0.00 41.96 39.97 1uup s TYR 2217CO 0.03 -0.05 0.15 -0.51 -1.57 0.00 0.00 175.55 173.60 1uup s LEU 2218N -0.57 1.57 -0.04 -1.29 1.43 0.38 -2.35 118.68 117.81 1uup s LEU 2218Ca 0.09 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1uup s LEU 2218Cb -0.10 0.77 0.03 0.00 0.03 0.00 0.00 46.19 46.92 1uup s LEU 2218CO -0.01 -0.50 0.04 0.42 0.23 0.00 0.00 176.35 176.52 1uup s THR 2219N -2.36 0.04 0.29 5.49 -4.23 -1.12 0.81 115.64 114.55 1uup s THR 2219Ca -0.07 0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 60.45 1uup s THR 2219Cb -0.02 -0.25 -0.09 0.00 1.34 0.00 0.00 72.50 73.48 1uup s THR 2219CO -0.03 0.18 1.02 0.42 -0.54 0.00 0.00 174.62 175.67 1uup s THR 2220N 1.86 3.80 -2.00 3.99 -4.23 -1.26 -0.61 115.64 117.19 1uup s THR 2220Ca 0.02 1.72 0.11 0.00 -1.18 0.00 0.00 61.69 62.36 1uup s THR 2220Cb -0.12 -4.06 0.32 0.00 1.34 0.00 0.00 72.50 69.98 1uup s THR 2220CO -0.03 0.34 1.12 1.17 -0.54 0.00 0.00 174.62 176.67