#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w6q n GLY 2003N -2.99 6.32 3.53 0.00 0.00 -0.61 -4.98 105.19 106.46 1w6q n GLY 2003Ca 0.15 -2.01 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 1w6q n GLY 2003CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1w6q n LEU 2004N 0.00 0.97 -3.74 0.99 7.94 -1.25 -4.56 117.00 117.35 1w6q n LEU 2004Ca 0.00 1.13 -0.19 0.00 -1.11 0.00 0.00 56.01 55.84 1w6q n LEU 2004Cb 0.00 -1.20 -0.17 0.00 0.53 0.00 0.00 43.42 42.58 1w6q n LEU 2004CO 0.00 -1.91 -0.36 -0.69 -1.11 0.00 0.00 177.39 173.32 1w6q s VAL 2005N -1.10 0.07 -0.03 1.96 1.01 -1.26 -0.04 120.40 121.01 1w6q s VAL 2005Ca 0.60 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1w6q s VAL 2005Cb -0.73 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1w6q s VAL 2005CO 0.59 0.18 -0.10 0.00 0.00 0.00 0.00 175.10 175.76 1w6q s ALA 2006N 1.75 1.01 0.35 5.51 0.00 0.71 -5.00 121.76 126.09 1w6q s ALA 2006Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.64 1w6q s ALA 2006Cb -0.13 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 1w6q s ALA 2006CO -0.03 0.15 -0.01 -1.54 0.00 0.00 0.00 175.76 174.33 1w6q s SER 2007N 0.25 3.26 -1.23 0.00 1.04 -1.26 -1.12 113.70 114.65 1w6q s SER 2007Ca -0.05 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 1w6q s SER 2007Cb -0.10 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1w6q s SER 2007CO 0.01 -0.42 0.10 0.59 0.98 0.00 0.00 173.24 174.50 1w6q n ASN 2008N -0.79 -4.56 -0.13 7.02 5.03 0.08 -4.90 115.26 117.01 1w6q n ASN 2008Ca -0.04 -0.06 -0.02 0.00 0.87 0.00 0.00 54.58 55.32 1w6q n ASN 2008Cb 0.66 -3.64 0.21 0.00 -1.02 0.00 0.00 39.78 35.98 1w6q n ASN 2008CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1w6q h LEU 2009N -0.23 0.77 -1.25 3.41 3.38 -1.55 -3.47 115.31 116.38 1w6q h LEU 2009Ca -0.36 -0.12 -0.50 0.00 0.09 0.00 0.00 57.88 56.99 1w6q h LEU 2009Cb 1.26 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1w6q h LEU 2009CO 0.41 0.73 -0.81 -3.20 0.09 0.00 0.00 178.44 175.66 1w6q n ASN 2010N -4.30 -3.24 -4.63 -0.43 5.15 -1.05 -4.89 115.26 101.87 1w6q n ASN 2010Ca 0.04 -0.90 -0.43 0.00 -0.60 0.00 0.00 54.58 52.69 1w6q n ASN 2010Cb 0.20 -3.38 -0.02 0.00 -0.53 0.00 0.00 39.78 36.05 1w6q n ASN 2010CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1w6q s LEU 2011N -7.17 3.91 0.48 1.20 2.96 0.10 -4.86 118.68 115.30 1w6q s LEU 2011Ca 0.52 1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 55.57 1w6q s LEU 2011Cb -0.27 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.86 1w6q s LEU 2011CO 0.87 -0.99 0.74 -0.54 -1.32 0.00 0.00 176.35 175.11 1w6q s LYS 2012N 3.95 3.21 0.35 1.98 1.02 -1.26 -0.83 119.74 128.16 1w6q s LYS 2012Ca 0.52 -0.17 -0.27 0.00 0.02 0.00 0.00 55.97 56.07 1w6q s LYS 2012Cb -0.15 -2.46 -0.12 0.00 -0.52 0.00 0.00 37.83 34.58 1w6q s LYS 2012CO 0.20 -0.30 1.20 -2.30 -0.92 0.00 0.00 175.35 173.23 1w6q n PRO 2013N -2.21 1.87 0.00 -1.68 -0.02 -1.26 -1.34 135.00 130.36 1w6q n PRO 2013Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1w6q n PRO 2013Cb 0.57 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1w6q n PRO 2013CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w6q n GLY 2014N 0.90 2.94 3.77 -1.23 0.00 -0.58 -4.97 105.19 106.02 1w6q n GLY 2014Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1w6q n GLY 2014CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w6q s GLU 2015N -0.18 4.40 -0.21 1.61 2.02 -0.45 -4.90 118.70 121.01 1w6q s GLU 2015Ca 0.00 1.70 -0.10 0.00 0.02 0.00 0.00 54.97 56.59 1w6q s GLU 2015Cb 0.00 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1w6q s GLU 2015CO 0.00 0.03 0.12 0.00 0.02 0.00 0.00 175.26 175.43 1w6q s LEU 2017N 0.53 3.88 -0.15 0.00 2.96 0.11 0.12 118.68 126.13 1w6q s LEU 2017Ca 0.07 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1w6q s LEU 2017Cb -0.12 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1w6q s LEU 2017CO -0.00 -0.14 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.69 1w6q s ARG 2018N 1.61 3.59 -0.12 1.98 0.52 -0.15 -0.21 118.95 126.17 1w6q s ARG 2018Ca 0.05 -0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1w6q s ARG 2018Cb -0.16 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1w6q s ARG 2018CO 0.05 0.23 -0.09 0.08 0.02 0.00 0.00 175.30 175.60 1w6q s VAL 2019N 0.35 1.10 -0.11 3.52 1.01 -0.44 -0.73 120.40 125.10 1w6q s VAL 2019Ca -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1w6q s VAL 2019Cb -0.15 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1w6q s VAL 2019CO 0.04 0.38 -0.10 -0.60 0.00 0.00 0.00 175.10 174.82 1w6q s ARG 2020N 1.67 3.18 0.25 2.72 3.52 0.57 -1.55 118.95 129.31 1w6q s ARG 2020Ca 0.05 -0.62 -0.11 0.00 -0.13 0.00 0.00 55.73 54.92 1w6q s ARG 2020Cb -0.13 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.61 1w6q s ARG 2020CO -0.08 0.38 0.45 0.20 -0.81 0.00 0.00 175.30 175.44 1w6q s GLY 2021N -0.06 0.69 -0.32 8.12 0.00 0.28 -0.37 107.32 115.67 1w6q s GLY 2021Ca -0.01 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 1w6q s GLY 2021CO 0.03 -0.72 0.19 -0.54 0.00 0.00 0.00 173.10 172.07 1w6q s GLU 2022N -3.91 3.46 -0.19 2.90 2.02 -0.11 -0.22 118.70 122.65 1w6q s GLU 2022Ca 0.24 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.29 1w6q s GLU 2022Cb -0.00 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.55 1w6q s GLU 2022CO 0.10 -0.41 1.03 0.08 0.02 0.00 0.00 175.26 176.09 1w6q s VAL 2023N 1.67 4.71 0.51 2.63 1.01 0.60 -1.49 120.40 130.04 1w6q s VAL 2023Ca 0.05 2.03 -0.22 0.00 0.00 0.00 0.00 61.98 63.85 1w6q s VAL 2023Cb -0.17 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 1w6q s VAL 2023CO 0.09 -0.12 1.04 0.00 0.00 0.00 0.00 175.10 176.11 1w6q n ALA 2024N 5.87 0.40 -0.29 5.51 0.00 -0.92 -0.85 120.51 130.23 1w6q n ALA 2024Ca 0.11 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.75 1w6q n ALA 2024Cb 0.47 -2.13 0.30 0.00 0.00 0.00 0.00 19.45 18.09 1w6q n ALA 2024CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1w6q h PRO 2025N 1.11 0.84 -0.42 0.00 0.11 -1.89 -1.00 132.00 130.76 1w6q h PRO 2025Ca -0.47 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.33 1w6q h PRO 2025Cb 1.34 -0.19 -0.17 0.00 0.11 0.00 0.00 31.00 32.09 1w6q h PRO 2025CO 0.54 0.56 -0.25 -0.40 -0.21 0.00 0.00 178.00 178.24 1w6q n ASP 2026N -4.55 3.20 -4.67 -2.05 5.75 -1.26 -4.24 116.55 108.74 1w6q n ASP 2026Ca 0.16 -3.81 -0.44 0.00 -0.01 0.00 0.00 54.79 50.69 1w6q n ASP 2026Cb 0.34 -0.58 -0.02 0.00 -1.03 0.00 0.00 41.12 39.84 1w6q n ASP 2026CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1w6q n ALA 2027N -1.02 0.98 -0.05 2.12 0.00 -0.68 -4.91 120.51 116.95 1w6q n ALA 2027Ca 0.35 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 54.16 1w6q n ALA 2027Cb 0.93 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 1w6q n ALA 2027CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1w6q n LYS 2028N 1.10 1.34 0.00 0.00 5.02 -1.26 -4.68 118.16 119.67 1w6q n LYS 2028Ca 0.08 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1w6q n LYS 2028Cb 0.34 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1w6q n LYS 2028CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1w6q n SER 2029N -2.32 0.00 -3.75 4.39 3.41 -1.26 -2.31 113.62 111.77 1w6q n SER 2029Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 1w6q n SER 2029Cb 0.74 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 1w6q n SER 2029CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1w6q s PHE 2030N -2.00 -0.01 0.01 7.33 -0.12 -1.04 -0.41 117.98 121.74 1w6q s PHE 2030Ca 0.00 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.54 1w6q s PHE 2030Cb 0.00 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1w6q s PHE 2030CO 0.00 -0.72 -0.02 0.08 -0.05 0.00 0.00 175.22 174.51 1w6q s VAL 2031N -3.86 0.11 -0.15 -2.49 1.01 0.28 -3.07 120.40 112.24 1w6q s VAL 2031Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1w6q s VAL 2031Cb 0.02 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.27 1w6q s VAL 2031CO -0.08 -0.15 -0.11 -0.76 0.00 0.00 0.00 175.10 174.00 1w6q s LEU 2032N -0.53 1.65 -0.14 3.92 1.43 0.96 -0.48 118.68 125.50 1w6q s LEU 2032Ca -0.05 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1w6q s LEU 2032Cb -0.04 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 1w6q s LEU 2032CO -0.00 -0.10 -0.06 0.20 0.23 0.00 0.00 176.35 176.62 1w6q s ASN 2033N 1.54 4.64 0.01 2.29 0.01 0.30 -0.93 114.94 122.80 1w6q s ASN 2033Ca 0.04 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 1w6q s ASN 2033Cb -0.13 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 1w6q s ASN 2033CO -0.10 0.20 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.79 1w6q s LEU 2034N 0.18 2.07 0.00 0.60 1.43 0.63 -0.88 118.68 122.72 1w6q s LEU 2034Ca -0.03 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1w6q s LEU 2034Cb -0.14 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1w6q s LEU 2034CO 0.03 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1w6q n GLY 2035N 2.45 -0.67 0.13 -3.19 0.00 -0.46 -0.49 105.19 102.97 1w6q n GLY 2035Ca -0.15 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 1w6q n GLY 2035CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1w6q n LYS 2036N 0.00 0.69 -0.73 1.61 4.81 0.83 -0.56 118.16 124.81 1w6q n LYS 2036Ca 0.00 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1w6q n LYS 2036Cb 0.00 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1w6q n LYS 2036CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1w6q n ASP 2037N -3.66 0.00 0.14 3.14 5.68 -1.13 -4.26 116.55 116.47 1w6q n ASP 2037Ca -0.37 -0.66 0.13 0.00 -0.50 0.00 0.00 54.79 53.39 1w6q n ASP 2037Cb 0.96 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 41.35 1w6q n ASP 2037CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1w6q h SER 2038N 0.00 0.00 -0.01 -1.12 4.64 -1.99 -1.81 113.55 113.26 1w6q h SER 2038Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1w6q h SER 2038Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1w6q h SER 2038CO 0.00 0.00 -0.70 0.59 -0.87 0.00 0.00 176.83 175.85 1w6q n ASN 2039N -2.44 1.42 -3.55 4.97 3.02 -1.26 -4.76 115.26 112.66 1w6q n ASN 2039Ca 0.04 -1.21 -0.29 0.00 -0.03 0.00 0.00 54.58 53.09 1w6q n ASN 2039Cb 0.39 0.75 -0.13 0.00 -0.61 0.00 0.00 39.78 40.17 1w6q n ASN 2039CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1w6q s ASN 2040N -2.63 3.34 -0.15 6.41 0.01 -0.68 -0.36 114.94 120.88 1w6q s ASN 2040Ca 0.12 -1.98 -0.01 0.00 -0.71 0.00 0.00 52.86 50.28 1w6q s ASN 2040Cb 0.16 -0.55 -0.01 0.00 0.41 0.00 0.00 41.25 41.26 1w6q s ASN 2040CO 0.68 -0.35 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.05 1w6q s LEU 2041N 1.26 2.70 0.13 0.60 1.43 0.35 -0.12 118.68 125.03 1w6q s LEU 2041Ca 0.15 -0.36 0.25 0.00 -1.03 0.00 0.00 54.13 53.14 1w6q s LEU 2041Cb -0.21 -1.62 0.59 0.00 0.03 0.00 0.00 46.19 44.97 1w6q s LEU 2041CO -0.11 0.12 1.53 0.00 0.23 0.00 0.00 176.35 178.12 1w6q s LEU 2043N -4.09 -0.98 -0.63 0.00 2.96 -0.93 -4.75 118.68 110.25 1w6q s LEU 2043Ca 0.09 1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1w6q s LEU 2043Cb 0.14 2.18 0.16 0.00 0.50 0.00 0.00 46.19 49.17 1w6q s LEU 2043CO 0.66 -0.23 0.43 -2.28 -1.32 0.00 0.00 176.35 173.62 1w6q s HIS 2044N 2.43 3.39 -0.33 5.38 5.65 0.10 -0.27 115.29 131.64 1w6q s HIS 2044Ca -0.07 -2.87 -0.25 0.00 0.25 0.00 0.00 55.06 52.12 1w6q s HIS 2044Cb -0.10 -3.10 0.01 0.00 -1.18 0.00 0.00 32.58 28.21 1w6q s HIS 2044CO -0.18 -0.80 0.87 0.12 -0.65 0.00 0.00 174.74 174.09 1w6q s PHE 2045N -0.29 3.16 -0.44 3.88 5.36 -0.10 -2.67 117.98 126.87 1w6q s PHE 2045Ca 0.18 0.84 0.07 0.00 -0.96 0.00 0.00 56.93 57.06 1w6q s PHE 2045Cb -0.20 -3.41 0.24 0.00 -0.34 0.00 0.00 43.02 39.31 1w6q s PHE 2045CO -0.04 -0.67 0.54 -1.71 -1.46 0.00 0.00 175.22 171.88 1w6q n ASN 2046N 6.46 0.77 -4.68 6.13 4.05 0.70 -0.03 115.26 128.67 1w6q n ASN 2046Ca 0.06 -2.79 -0.42 0.00 0.45 0.00 0.00 54.58 51.87 1w6q n ASN 2046Cb 0.48 -0.64 -0.03 0.00 1.23 0.00 0.00 39.78 40.82 1w6q n ASN 2046CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1w6q n PRO 2047N 1.49 2.80 -4.26 1.20 -0.02 -1.17 -3.16 135.00 131.87 1w6q n PRO 2047Ca 0.23 1.02 -0.34 0.00 -2.02 0.00 0.00 63.50 62.40 1w6q n PRO 2047Cb 0.50 -2.94 -0.14 0.00 -0.02 0.00 0.00 33.50 30.90 1w6q n PRO 2047CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1w6q s ARG 2048N 3.48 3.39 -0.10 -0.52 0.52 0.45 -2.49 118.95 123.68 1w6q s ARG 2048Ca 0.85 -0.65 -0.15 0.00 -0.52 0.00 0.00 55.73 55.26 1w6q s ARG 2048Cb -0.47 -2.85 -0.28 0.00 0.52 0.00 0.00 34.95 31.88 1w6q s ARG 2048CO 0.40 -0.02 0.57 0.74 0.02 0.00 0.00 175.30 177.02 1w6q h PHE 2049N 7.48 0.47 0.00 -0.53 -1.00 -1.73 0.70 116.94 122.33 1w6q h PHE 2049Ca -0.35 -0.34 0.00 0.00 2.81 0.00 0.00 57.97 60.08 1w6q h PHE 2049Cb 1.18 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1w6q h PHE 2049CO 0.55 1.56 0.00 0.27 -1.61 0.00 0.00 178.31 179.07 1w6q n ASN 2050N -3.90 0.00 0.01 2.17 0.23 -1.00 0.72 115.26 113.48 1w6q n ASN 2050Ca -0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.80 1w6q n ASN 2050Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.61 1w6q n ASN 2050CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1w6q n ALA 2051N 0.00 1.67 -2.38 -2.53 0.00 -1.03 -4.63 120.51 111.61 1w6q n ALA 2051Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1w6q n ALA 2051Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1w6q n ALA 2051CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1w6q n HIS 2052N -2.53 3.33 0.00 0.00 8.25 -1.26 -4.79 115.22 118.22 1w6q n HIS 2052Ca 0.00 -2.96 0.00 0.00 -0.26 0.00 0.00 57.72 54.50 1w6q n HIS 2052Cb 0.00 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1w6q n HIS 2052CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w6q n GLY 2053N -0.44 2.68 3.78 -1.41 0.00 -1.26 -4.95 105.19 103.59 1w6q n GLY 2053Ca 0.43 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 1w6q n GLY 2053CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w6q s ASP 2054N -0.92 7.05 -0.08 1.61 1.01 -1.26 -5.06 116.67 119.02 1w6q s ASP 2054Ca 0.00 1.93 0.02 0.00 0.71 0.00 0.00 52.55 55.21 1w6q s ASP 2054Cb 0.00 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1w6q s ASP 2054CO 0.00 -0.28 -0.11 0.00 0.21 0.00 0.00 175.17 174.99 1w6q s ALA 2055N -1.66 1.27 -0.46 5.23 0.00 -1.26 -2.46 121.76 122.42 1w6q s ALA 2055Ca 0.54 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1w6q s ALA 2055Cb -0.20 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1w6q s ALA 2055CO 0.25 -0.01 0.38 0.09 0.00 0.00 0.00 175.76 176.47 1w6q n ASN 2056N 4.08 -3.04 -3.72 0.00 4.13 0.22 -4.91 115.26 112.01 1w6q n ASN 2056Ca -0.21 -0.50 -0.12 0.00 1.68 0.00 0.00 54.58 55.43 1w6q n ASN 2056Cb 0.51 -0.98 -0.10 0.00 -1.54 0.00 0.00 39.78 37.67 1w6q n ASN 2056CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1w6q s THR 2057N -2.22 -0.01 -0.30 3.41 -1.32 0.23 -4.76 115.64 110.67 1w6q s THR 2057Ca 0.05 0.02 -0.18 0.00 -1.21 0.00 0.00 61.69 60.38 1w6q s THR 2057Cb -0.01 -0.58 -0.02 0.00 -1.51 0.00 0.00 72.50 70.38 1w6q s THR 2057CO 0.55 0.01 0.52 -0.63 -2.21 0.00 0.00 174.62 172.86 1w6q s ILE 2058N 0.52 5.04 -0.17 5.08 1.01 -1.26 -0.41 121.20 131.00 1w6q s ILE 2058Ca -0.02 0.68 -0.06 0.00 0.00 0.00 0.00 60.65 61.25 1w6q s ILE 2058Cb -0.04 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1w6q s ILE 2058CO -0.03 -0.03 0.02 -0.69 0.00 0.00 0.00 174.94 174.21 1w6q s VAL 2059N 2.36 4.36 0.09 2.92 1.01 -1.19 -1.66 120.40 128.29 1w6q s VAL 2059Ca 0.20 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1w6q s VAL 2059Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1w6q s VAL 2059CO 0.11 0.47 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1w6q n ASN 2061N 1.18 -1.91 -4.18 0.00 2.85 -1.09 -0.25 115.26 111.86 1w6q n ASN 2061Ca -0.20 -2.12 -0.11 0.00 -0.11 0.00 0.00 54.58 52.04 1w6q n ASN 2061Cb 0.54 3.14 -0.10 0.00 1.24 0.00 0.00 39.78 44.59 1w6q n ASN 2061CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1w6q s SER 2062N -3.33 0.61 -0.05 1.20 1.04 -1.26 -0.72 113.70 111.19 1w6q s SER 2062Ca 0.21 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.43 1w6q s SER 2062Cb -0.03 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.35 1w6q s SER 2062CO 0.07 -0.68 0.03 -0.75 0.98 0.00 0.00 173.24 172.90 1w6q s LYS 2063N -4.01 0.19 -0.22 4.02 2.20 -0.20 -0.56 119.74 121.16 1w6q s LYS 2063Ca 0.24 0.24 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1w6q s LYS 2063Cb 0.07 -0.62 0.04 0.00 -1.51 0.00 0.00 37.83 35.81 1w6q s LYS 2063CO 0.03 -0.28 -0.15 0.34 -0.36 0.00 0.00 175.35 174.93 1w6q s ASP 2064N 1.83 3.84 -1.42 1.43 -1.08 0.83 -0.50 116.67 121.60 1w6q s ASP 2064Ca 0.01 -1.06 -0.05 0.00 -0.52 0.00 0.00 52.55 50.94 1w6q s ASP 2064Cb -0.12 -1.50 0.01 0.00 -1.46 0.00 0.00 42.92 39.84 1w6q s ASP 2064CO -0.03 -0.11 0.65 0.61 0.52 0.00 0.00 175.17 176.81 1w6q n GLY 2065N 4.52 -0.43 2.02 2.66 0.00 -0.96 -1.35 105.19 111.65 1w6q n GLY 2065Ca -0.17 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1w6q n GLY 2065CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w6q n GLY 2066N -1.54 1.77 3.63 -0.02 0.00 0.51 -5.02 105.19 104.53 1w6q n GLY 2066Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1w6q n GLY 2066CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w6q s ALA 2067N -2.82 3.57 0.31 4.61 0.00 -0.46 -5.06 121.76 121.91 1w6q s ALA 2067Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 1w6q s ALA 2067Cb 0.00 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.51 1w6q s ALA 2067CO 0.00 -0.41 1.23 -1.58 0.00 0.00 0.00 175.76 174.99 1w6q s TRP 2068N 1.52 3.26 0.00 0.00 0.52 -1.26 -0.12 118.94 122.86 1w6q s TRP 2068Ca 0.11 1.52 0.00 0.00 0.02 0.00 0.00 56.10 57.76 1w6q s TRP 2068Cb -0.15 -3.52 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 1w6q s TRP 2068CO 0.08 -1.34 0.00 0.41 0.02 0.00 0.00 176.95 176.12 1w6q n GLY 2069N 0.98 0.44 3.62 0.98 0.00 0.27 -4.91 105.19 106.57 1w6q n GLY 2069Ca -0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1w6q n GLY 2069CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1w6q s THR 2070N 0.86 4.63 0.89 2.61 -1.32 -1.26 -4.83 115.64 117.22 1w6q s THR 2070Ca 0.00 1.37 -0.13 0.00 -1.21 0.00 0.00 61.69 61.73 1w6q s THR 2070Cb 0.00 -4.30 0.05 0.00 -1.51 0.00 0.00 72.50 66.74 1w6q s THR 2070CO 0.00 -0.42 0.62 1.21 -2.21 0.00 0.00 174.62 173.82 1w6q n GLU 2071N 6.61 -0.17 -3.70 7.08 2.13 -1.26 -4.81 120.64 126.51 1w6q n GLU 2071Ca 0.08 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.78 1w6q n GLU 2071Cb 0.48 -1.99 -0.10 0.00 0.27 0.00 0.00 31.44 30.10 1w6q n GLU 2071CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1w6q s GLN 2072N -3.69 0.47 0.11 5.31 0.74 0.65 -4.99 119.66 118.26 1w6q s GLN 2072Ca 0.61 0.74 0.10 0.00 0.05 0.00 0.00 55.36 56.87 1w6q s GLN 2072Cb -0.24 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 33.94 1w6q s GLN 2072CO 0.63 -0.11 -0.26 1.03 -0.55 0.00 0.00 175.29 176.02 1w6q s ARG 2073N 0.89 1.44 0.13 1.67 0.52 -1.26 0.22 118.95 122.56 1w6q s ARG 2073Ca -0.05 -1.29 0.05 0.00 -0.52 0.00 0.00 55.73 53.91 1w6q s ARG 2073Cb -0.06 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1w6q s ARG 2073CO -0.07 0.45 0.09 -1.21 0.02 0.00 0.00 175.30 174.57 1w6q s GLU 2074N -1.91 2.80 -0.04 3.54 0.41 -0.67 -5.02 118.70 117.82 1w6q s GLU 2074Ca 0.13 -0.84 -0.17 0.00 -0.41 0.00 0.00 54.97 53.68 1w6q s GLU 2074Cb -0.10 -2.63 -0.10 0.00 -1.78 0.00 0.00 34.13 29.53 1w6q s GLU 2074CO 0.05 0.51 0.70 0.00 -0.49 0.00 0.00 175.26 176.03 1w6q h ALA 2075N 2.83 -0.50 -2.21 5.21 0.00 -1.98 -3.37 119.26 119.23 1w6q h ALA 2075Ca -0.47 -0.14 -0.51 0.00 0.00 0.00 0.00 54.91 53.79 1w6q h ALA 2075Cb 1.19 0.19 0.21 0.00 0.00 0.00 0.00 17.79 19.38 1w6q h ALA 2075CO 0.63 -0.49 0.01 1.33 0.00 0.00 0.00 179.25 180.73 1w6q n VAL 2076N -5.11 0.00 -2.89 0.00 0.24 -1.26 -4.84 118.33 104.46 1w6q n VAL 2076Ca -0.07 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 1w6q n VAL 2076Cb 0.23 -0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 31.67 1w6q n VAL 2076CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1w6q n PHE 2077N -4.26 -3.10 -1.27 6.34 -0.00 -1.26 -4.38 117.46 109.54 1w6q n PHE 2077Ca 0.09 -1.87 -0.24 0.00 -0.00 0.00 0.00 57.45 55.43 1w6q n PHE 2077Cb 0.53 1.20 -0.10 0.00 -0.00 0.00 0.00 39.48 41.11 1w6q n PHE 2077CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1w6q n PRO 2078N 2.67 2.78 -4.16 -7.13 -0.04 -1.26 -4.83 135.00 123.02 1w6q n PRO 2078Ca 0.19 -1.80 -0.19 0.00 -0.04 0.00 0.00 63.50 61.66 1w6q n PRO 2078Cb 0.55 -2.30 -0.16 0.00 -0.04 0.00 0.00 33.50 31.56 1w6q n PRO 2078CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1w6q s PHE 2079N 0.60 0.69 -0.16 0.54 0.08 -1.26 -4.46 117.98 114.02 1w6q s PHE 2079Ca 0.65 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.54 1w6q s PHE 2079Cb 0.28 -0.61 0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1w6q s PHE 2079CO -0.06 -0.16 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.05 1w6q s GLN 2080N 0.77 3.07 0.51 0.44 -0.21 -1.26 -5.10 119.66 117.88 1w6q s GLN 2080Ca -0.10 -0.82 -0.22 0.00 0.02 0.00 0.00 55.36 54.24 1w6q s GLN 2080Cb -0.13 -2.53 -0.07 0.00 1.00 0.00 0.00 33.01 31.28 1w6q s GLN 2080CO 0.00 -0.06 1.12 -2.30 -2.12 0.00 0.00 175.29 171.93 1w6q n PRO 2081N 4.23 1.38 -1.09 2.91 -0.02 -1.26 -2.02 135.00 139.13 1w6q n PRO 2081Ca -0.20 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 61.76 1w6q n PRO 2081Cb 0.51 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1w6q n PRO 2081CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w6q n GLY 2082N 1.05 0.63 3.32 -1.23 0.00 -0.03 -4.79 105.19 104.14 1w6q n GLY 2082Ca 0.11 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1w6q n GLY 2082CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1w6q s SER 2083N -2.69 2.14 0.06 1.61 0.01 -0.86 -4.87 113.70 109.10 1w6q s SER 2083Ca 0.00 -1.09 -0.22 0.00 1.31 0.00 0.00 55.95 55.95 1w6q s SER 2083Cb 0.00 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1w6q s SER 2083CO 0.00 -0.34 0.65 -0.69 0.41 0.00 0.00 173.24 173.28 1w6q s VAL 2084N -3.21 4.73 0.03 3.43 1.01 -1.26 -0.29 120.40 124.83 1w6q s VAL 2084Ca 0.23 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.62 1w6q s VAL 2084Cb 0.03 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1w6q s VAL 2084CO 0.06 0.46 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 1w6q s ALA 2085N -0.58 0.62 -0.01 5.51 0.00 0.69 -4.93 121.76 123.06 1w6q s ALA 2085Ca 0.33 -0.63 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1w6q s ALA 2085Cb -0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1w6q s ALA 2085CO 0.20 0.05 -0.19 -2.00 0.00 0.00 0.00 175.76 173.82 1w6q s GLU 2086N -1.13 1.54 -0.01 0.00 2.12 -1.26 -0.55 118.70 119.40 1w6q s GLU 2086Ca -0.05 -0.72 0.04 0.00 0.36 0.00 0.00 54.97 54.60 1w6q s GLU 2086Cb -0.08 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 1w6q s GLU 2086CO 0.00 0.41 -0.12 0.14 -0.54 0.00 0.00 175.26 175.16 1w6q s VAL 2087N -0.49 0.94 -0.12 3.70 -7.23 -0.59 -3.02 120.40 113.58 1w6q s VAL 2087Ca 0.07 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 1w6q s VAL 2087Cb -0.08 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.08 1w6q s VAL 2087CO -0.00 0.27 -0.21 0.00 -0.31 0.00 0.00 175.10 174.85 1w6q s ILE 2089N 0.72 1.55 0.26 0.00 1.01 0.70 -0.70 121.20 124.74 1w6q s ILE 2089Ca -0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1w6q s ILE 2089Cb -0.16 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1w6q s ILE 2089CO 0.01 0.44 0.33 0.28 0.00 0.00 0.00 174.94 176.00 1w6q s THR 2090N -0.35 0.00 0.14 2.92 -1.32 -0.80 0.05 115.64 116.27 1w6q s THR 2090Ca 0.05 -1.73 -0.24 0.00 -1.21 0.00 0.00 61.69 58.55 1w6q s THR 2090Cb -0.09 -2.45 0.07 0.00 -1.51 0.00 0.00 72.50 68.53 1w6q s THR 2090CO -0.00 0.00 0.76 0.72 -2.21 0.00 0.00 174.62 173.89 1w6q s PHE 2091N -3.78 -0.36 0.34 9.09 -0.71 -1.26 0.23 117.98 121.53 1w6q s PHE 2091Ca 0.32 0.11 0.07 0.00 -1.04 0.00 0.00 56.93 56.39 1w6q s PHE 2091Cb 0.03 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1w6q s PHE 2091CO 0.15 -0.84 0.26 -0.40 -1.34 0.00 0.00 175.22 173.05 1w6q n ASP 2092N -0.37 -0.41 0.06 1.98 5.68 -0.18 -1.52 116.55 121.78 1w6q n ASP 2092Ca -0.11 -3.17 0.17 0.00 -0.50 0.00 0.00 54.79 51.18 1w6q n ASP 2092Cb 0.62 1.57 0.66 0.00 -1.14 0.00 0.00 41.12 42.83 1w6q n ASP 2092CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1w6q h GLN 2093N 0.00 0.03 0.05 0.11 4.15 -1.97 -3.17 115.11 114.32 1w6q h GLN 2093Ca -0.25 -0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.82 1w6q h GLN 2093Cb 1.19 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 1w6q h GLN 2093CO 0.36 0.02 -2.12 0.00 -1.93 0.00 0.00 178.83 175.17 1w6q n ALA 2094N -2.61 1.23 -2.52 3.38 0.00 -1.26 -4.59 120.51 114.14 1w6q n ALA 2094Ca 0.07 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 1w6q n ALA 2094Cb 0.47 -0.50 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 1w6q n ALA 2094CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1w6q s ASN 2095N -6.51 0.15 -0.12 0.00 0.01 -1.20 -1.09 114.94 106.19 1w6q s ASN 2095Ca -0.20 -0.69 -0.05 0.00 -0.71 0.00 0.00 52.86 51.21 1w6q s ASN 2095Cb 0.07 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 42.03 1w6q s ASN 2095CO 0.75 -0.72 0.06 -0.76 -1.51 0.00 0.00 177.10 174.92 1w6q s LEU 2096N -2.87 3.92 -0.21 0.60 1.02 0.15 -1.01 118.68 120.29 1w6q s LEU 2096Ca 0.05 0.25 -0.03 0.00 0.02 0.00 0.00 54.13 54.42 1w6q s LEU 2096Cb 0.05 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.31 1w6q s LEU 2096CO -0.11 0.35 -0.06 -0.89 0.02 0.00 0.00 176.35 175.66 1w6q s THR 2097N -0.68 3.25 -0.25 5.49 2.01 0.14 -0.54 115.64 125.06 1w6q s THR 2097Ca 0.12 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1w6q s THR 2097Cb -0.12 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1w6q s THR 2097CO 0.02 0.45 0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 1w6q s VAL 2098N 1.31 3.68 -0.30 3.82 1.01 0.48 -1.91 120.40 128.49 1w6q s VAL 2098Ca 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1w6q s VAL 2098Cb -0.14 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1w6q s VAL 2098CO -0.03 0.31 0.15 -0.75 0.00 0.00 0.00 175.10 174.77 1w6q s LYS 2099N 1.50 3.47 0.46 2.72 2.47 0.13 -1.33 119.74 129.16 1w6q s LYS 2099Ca 0.05 -0.62 0.03 0.00 -1.56 0.00 0.00 55.97 53.87 1w6q s LYS 2099Cb -0.15 -3.55 0.01 0.00 -1.46 0.00 0.00 37.83 32.68 1w6q s LYS 2099CO -0.01 -0.35 0.65 -0.51 0.16 0.00 0.00 175.35 175.30 1w6q s LEU 2100N 1.64 3.57 0.03 5.43 1.43 0.94 -1.16 118.68 130.56 1w6q s LEU 2100Ca 0.05 -0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1w6q s LEU 2100Cb -0.17 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 1w6q s LEU 2100CO 0.07 -0.83 0.76 -2.65 0.23 0.00 0.00 176.35 173.93 1w6q n PRO 2101N -2.05 -0.08 -0.86 1.29 -0.02 -1.17 -2.15 135.00 129.97 1w6q n PRO 2101Ca 0.05 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.17 1w6q n PRO 2101Cb 0.59 -1.12 -0.03 0.00 -0.02 0.00 0.00 33.50 32.92 1w6q n PRO 2101CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1w6q n ASP 2102N -3.27 5.86 0.00 2.55 10.43 -1.26 -4.77 116.55 126.09 1w6q n ASP 2102Ca 0.00 -2.75 0.00 0.00 2.57 0.00 0.00 54.79 54.61 1w6q n ASP 2102Cb 0.05 -1.17 0.00 0.00 1.84 0.00 0.00 41.12 41.84 1w6q n ASP 2102CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w6q n GLY 2103N 1.21 2.68 3.48 0.44 0.00 -0.91 -4.98 105.19 107.11 1w6q n GLY 2103Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1w6q n GLY 2103CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1w6q n TYR 2104N -0.85 -0.03 -3.88 1.61 9.36 -1.25 -4.64 117.16 117.49 1w6q n TYR 2104Ca 0.00 0.69 -0.11 0.00 3.32 0.00 0.00 57.90 61.79 1w6q n TYR 2104Cb 0.00 -2.05 -0.10 0.00 -0.63 0.00 0.00 39.34 36.55 1w6q n TYR 2104CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1w6q s GLU 2105N -1.48 0.42 0.12 2.98 2.12 -1.26 -0.04 118.70 121.55 1w6q s GLU 2105Ca 0.62 -0.33 -0.21 0.00 0.36 0.00 0.00 54.97 55.41 1w6q s GLU 2105Cb -0.68 0.17 0.06 0.00 0.26 0.00 0.00 34.13 33.94 1w6q s GLU 2105CO 0.58 -0.09 0.53 -0.59 -0.54 0.00 0.00 175.26 175.15 1w6q s PHE 2106N -1.17 -0.42 0.10 5.30 -0.71 -0.44 -5.01 117.98 115.64 1w6q s PHE 2106Ca -0.13 0.24 0.07 0.00 -1.04 0.00 0.00 56.93 56.07 1w6q s PHE 2106Cb -0.07 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1w6q s PHE 2106CO 0.01 -0.76 -0.10 0.15 -1.34 0.00 0.00 175.22 173.18 1w6q s LYS 2107N -3.47 2.14 -0.08 1.99 1.02 -1.26 -0.38 119.74 119.69 1w6q s LYS 2107Ca 0.00 -1.02 0.02 0.00 0.02 0.00 0.00 55.97 54.99 1w6q s LYS 2107Cb 0.00 -2.31 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1w6q s LYS 2107CO -0.10 0.51 -0.12 0.12 -0.92 0.00 0.00 175.35 174.84 1w6q s PHE 2108N -1.22 1.55 0.31 3.18 5.36 0.30 -4.93 117.98 122.54 1w6q s PHE 2108Ca 0.22 -0.65 -0.28 0.00 -0.96 0.00 0.00 56.93 55.26 1w6q s PHE 2108Cb -0.11 -1.16 -0.13 0.00 -0.34 0.00 0.00 43.02 41.27 1w6q s PHE 2108CO 0.14 -0.36 1.20 -0.35 -1.46 0.00 0.00 175.22 174.38 1w6q n PRO 2109N 4.12 1.82 -2.18 10.12 -0.04 -1.26 0.33 135.00 147.91 1w6q n PRO 2109Ca -0.20 0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 1w6q n PRO 2109Cb 0.51 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1w6q n PRO 2109CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1w6q n ASN 2110N 1.06 4.63 -0.16 3.54 2.85 -0.25 -4.69 115.26 122.24 1w6q n ASN 2110Ca 0.07 -2.98 0.22 0.00 -0.11 0.00 0.00 54.58 51.78 1w6q n ASN 2110Cb 0.34 -1.57 0.62 0.00 1.24 0.00 0.00 39.78 40.41 1w6q n ASN 2110CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1w6q h HIS 2111N 6.10 0.23 0.00 1.20 3.86 -1.86 -2.26 115.15 122.42 1w6q h HIS 2111Ca 0.46 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1w6q h HIS 2111Cb 0.67 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1w6q h HIS 2111CO 1.33 0.07 -0.68 1.28 0.86 0.00 0.00 177.93 180.78 1w6q n LEU 2112N -4.39 0.60 -3.73 2.43 4.32 -1.26 -4.97 117.00 110.00 1w6q n LEU 2112Ca 0.17 0.01 -0.23 0.00 -0.02 0.00 0.00 56.01 55.93 1w6q n LEU 2112Cb 0.76 -0.18 0.03 0.00 -1.62 0.00 0.00 43.42 42.41 1w6q n LEU 2112CO 0.35 0.08 -0.03 0.59 -1.22 0.00 0.00 177.39 177.16 1w6q n ASN 2113N -1.73 -1.82 -4.76 -1.43 3.02 -0.85 -4.90 115.26 102.78 1w6q n ASN 2113Ca 0.04 -0.81 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1w6q n ASN 2113Cb 0.38 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 1w6q n ASN 2113CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1w6q s LEU 2114N -6.78 4.47 0.28 3.41 2.96 -1.26 -4.93 118.68 116.82 1w6q s LEU 2114Ca 0.12 2.47 0.07 0.00 -0.22 0.00 0.00 54.13 56.56 1w6q s LEU 2114Cb -0.06 -3.63 0.40 0.00 0.50 0.00 0.00 46.19 43.40 1w6q s LEU 2114CO 0.81 -0.40 1.66 -0.08 -1.32 0.00 0.00 176.35 177.03 1w6q h GLU 2115N 4.05 0.19 -2.81 1.98 4.81 -1.97 -3.47 114.58 117.37 1w6q h GLU 2115Ca -0.47 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1w6q h GLU 2115Cb 1.22 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.48 1w6q h GLU 2115CO 0.69 0.64 0.29 0.00 -0.73 0.00 0.00 179.01 179.90 1w6q s ALA 2116N -3.97 -1.65 -0.35 2.92 0.00 -1.26 -4.51 121.76 112.94 1w6q s ALA 2116Ca -0.04 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.39 1w6q s ALA 2116Cb 0.13 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 1w6q s ALA 2116CO 0.77 -0.76 0.27 0.42 0.00 0.00 0.00 175.76 176.47 1w6q s ILE 2117N -3.59 5.26 -0.67 0.00 1.01 -0.01 -4.77 121.20 118.43 1w6q s ILE 2117Ca 0.02 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.55 1w6q s ILE 2117Cb -0.01 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1w6q s ILE 2117CO -0.11 -0.07 0.52 0.59 0.00 0.00 0.00 174.94 175.87 1w6q n ASN 2118N 5.17 0.77 -4.11 3.58 4.13 -0.70 -0.72 115.26 123.39 1w6q n ASN 2118Ca -0.12 -0.88 -0.22 0.00 1.68 0.00 0.00 54.58 55.04 1w6q n ASN 2118Cb 0.49 0.81 -0.15 0.00 -1.54 0.00 0.00 39.78 39.39 1w6q n ASN 2118CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1w6q s TYR 2119N -1.78 1.25 -0.11 3.10 5.04 0.28 -0.74 117.35 124.40 1w6q s TYR 2119Ca 0.06 -0.24 -0.08 0.00 -2.44 0.00 0.00 57.07 54.37 1w6q s TYR 2119Cb 0.08 -0.81 0.03 0.00 0.35 0.00 0.00 41.96 41.62 1w6q s TYR 2119CO 0.37 -0.02 0.27 1.41 -1.34 0.00 0.00 175.55 176.23 1w6q s MET 2120N -0.32 0.28 -0.05 4.97 -2.45 -0.28 -1.36 119.30 120.10 1w6q s MET 2120Ca 0.05 0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 54.92 1w6q s MET 2120Cb -0.05 0.06 0.03 0.00 1.25 0.00 0.00 34.83 36.12 1w6q s MET 2120CO -0.01 -0.08 0.09 0.00 1.05 0.00 0.00 175.02 176.07 1w6q s ALA 2121N 0.55 -0.01 0.01 4.11 0.00 -0.06 -0.20 121.76 126.17 1w6q s ALA 2121Ca -0.03 0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 1w6q s ALA 2121Cb -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1w6q s ALA 2121CO -0.03 -0.28 0.09 0.00 0.00 0.00 0.00 175.76 175.54 1w6q s ALA 2122N 1.54 3.62 0.11 0.00 0.00 0.94 -0.54 121.76 127.44 1w6q s ALA 2122Ca -0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 1w6q s ALA 2122Cb -0.12 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.44 1w6q s ALA 2122CO -0.04 0.71 0.37 0.34 0.00 0.00 0.00 175.76 177.14 1w6q s ASP 2123N -1.88 -0.19 0.00 0.00 3.68 0.37 -1.57 116.67 117.08 1w6q s ASP 2123Ca 0.25 -0.34 0.00 0.00 2.13 0.00 0.00 52.55 54.59 1w6q s ASP 2123Cb -0.12 0.45 0.00 0.00 -1.45 0.00 0.00 42.92 41.80 1w6q s ASP 2123CO 0.16 -0.82 0.00 0.61 0.13 0.00 0.00 175.17 175.25 1w6q n GLY 2124N -0.14 -1.79 2.21 2.66 0.00 -1.26 0.10 105.19 106.96 1w6q n GLY 2124Ca -0.16 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 1w6q n GLY 2124CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w6q n ASP 2125N 0.11 6.77 -3.54 1.61 8.00 0.45 -4.71 116.55 125.25 1w6q n ASP 2125Ca 0.00 -2.67 -0.25 0.00 0.71 0.00 0.00 54.79 52.58 1w6q n ASP 2125Cb 0.00 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 39.52 1w6q n ASP 2125CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1w6q s PHE 2126N 0.78 0.12 -0.64 1.24 5.36 -1.26 -2.17 117.98 121.41 1w6q s PHE 2126Ca 0.66 -0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 55.92 1w6q s PHE 2126Cb 0.27 -0.72 0.07 0.00 -0.34 0.00 0.00 43.02 42.30 1w6q s PHE 2126CO -0.06 -0.71 0.94 0.21 -1.46 0.00 0.00 175.22 174.14 1w6q s LYS 2127N 2.17 3.14 -0.01 10.12 2.20 -0.55 -4.82 119.74 131.98 1w6q s LYS 2127Ca 0.06 -0.78 -0.33 0.00 -0.36 0.00 0.00 55.97 54.56 1w6q s LYS 2127Cb -0.16 -4.20 -0.12 0.00 -1.51 0.00 0.00 37.83 31.84 1w6q s LYS 2127CO -0.24 -1.74 1.83 -0.89 -0.36 0.00 0.00 175.35 173.94 1w6q n ILE 2128N 5.93 0.47 -0.05 5.43 2.08 -1.26 -0.94 119.36 131.02 1w6q n ILE 2128Ca -0.03 -0.08 -0.03 0.00 0.56 0.00 0.00 62.75 63.16 1w6q n ILE 2128Cb 0.46 -1.88 -0.11 0.00 -0.75 0.00 0.00 39.64 37.35 1w6q n ILE 2128CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1w6q n LYS 2129N 6.04 1.39 -3.63 0.38 4.76 0.50 -4.93 118.16 122.67 1w6q n LYS 2129Ca 0.21 -0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.46 1w6q n LYS 2129Cb 0.31 -1.35 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 1w6q n LYS 2129CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1w6q s VAL 2131N -0.17 0.05 -0.07 0.00 1.01 -1.26 -0.31 120.40 119.64 1w6q s VAL 2131Ca -0.04 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.31 1w6q s VAL 2131Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1w6q s VAL 2131CO 0.03 0.20 -0.21 0.00 0.00 0.00 0.00 175.10 175.13 1w6q s ALA 2132N 2.07 2.34 -0.33 5.51 0.00 0.09 -4.98 121.76 126.46 1w6q s ALA 2132Ca 0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 1w6q s ALA 2132Cb -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1w6q s ALA 2132CO -0.04 0.40 0.16 -0.06 0.00 0.00 0.00 175.76 176.22 1w6q s PHE 2133N -0.12 3.20 0.00 0.00 0.08 -1.26 -0.97 117.98 118.91 1w6q s PHE 2133Ca -0.04 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.16 1w6q s PHE 2133Cb -0.14 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.95 1w6q s PHE 2133CO 0.04 -0.57 0.00 -3.47 -0.10 0.00 0.00 175.22 171.12