#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwp s SER 2004N 0.00 5.70 0.15 -5.58 0.15 -1.26 -4.81 113.70 108.05 3fwp s SER 2004Ca 0.00 2.91 0.24 0.00 0.70 0.00 0.00 55.95 59.80 3fwp s SER 2004Cb 0.00 -2.65 0.34 0.00 -1.71 0.00 0.00 66.02 62.00 3fwp s SER 2004CO 0.00 -1.30 1.34 0.44 1.20 0.00 0.00 173.24 174.92 3fwp h ASP 2005N 2.10 0.00 -4.16 5.45 3.32 -1.23 -3.48 116.42 118.41 3fwp h ASP 2005Ca -0.51 -0.15 -0.45 0.00 0.02 0.00 0.00 57.03 55.94 3fwp h ASP 2005Cb 1.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 3fwp h ASP 2005CO 0.60 0.08 -0.78 0.68 -1.72 0.00 0.00 179.24 178.10 3fwp s VAL 2006N -3.19 1.36 0.26 -1.35 -7.23 -1.22 -5.06 120.40 103.98 3fwp s VAL 2006Ca 0.06 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3fwp s VAL 2006Cb 0.12 -1.42 0.08 0.00 0.56 0.00 0.00 36.38 35.72 3fwp s VAL 2006CO 0.72 -0.29 1.71 0.15 -0.31 0.00 0.00 175.10 177.08 3fwp h PHE 2007N 3.82 0.72 0.00 2.82 3.57 -1.95 -3.37 116.94 122.56 3fwp h PHE 2007Ca -0.41 -0.14 -0.19 0.00 3.53 0.00 0.00 57.97 60.76 3fwp h PHE 2007Cb 1.19 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3fwp h PHE 2007CO 0.64 0.77 -1.71 0.72 -2.23 0.00 0.00 178.31 176.50 3fwp n HIS 2008N -4.15 0.00 0.22 0.41 8.25 -1.26 -4.76 115.22 113.92 3fwp n HIS 2008Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3fwp n HIS 2008Cb 0.38 -0.48 0.32 0.00 1.12 0.00 0.00 29.99 31.33 3fwp n HIS 2008CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fwp h LEU 2009N 0.00 0.00 -1.25 2.41 3.38 -1.93 -3.45 115.31 114.48 3fwp h LEU 2009Ca -0.28 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.44 3fwp h LEU 2009Cb 1.44 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.30 3fwp h LEU 2009CO -0.04 0.17 -0.48 0.61 0.09 0.00 0.00 178.44 178.79 3fwp n GLY 2010N 0.64 -0.07 3.22 0.83 0.00 -1.26 -4.69 105.19 103.86 3fwp n GLY 2010Ca 0.02 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 3fwp n GLY 2010CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 2011N -5.10 2.33 0.26 0.99 1.43 -1.26 -4.78 118.68 112.54 3fwp s LEU 2011Ca 0.24 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 3fwp s LEU 2011Cb -0.10 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 3fwp s LEU 2011CO 0.49 -0.08 -0.01 0.42 0.23 0.00 0.00 176.35 177.40 3fwp s THR 2012N -1.56 3.43 0.35 5.49 -4.23 -1.26 -0.61 115.64 117.25 3fwp s THR 2012Ca 0.03 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 58.72 3fwp s THR 2012Cb -0.08 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.24 3fwp s THR 2012CO 0.03 -0.35 1.94 0.50 -0.54 0.00 0.00 174.62 176.20 3fwp h LYS 2013N 2.00 0.76 -0.82 3.99 3.64 -1.95 -1.94 116.57 122.25 3fwp h LYS 2013Ca -0.44 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3fwp h LYS 2013Cb 1.24 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3fwp h LYS 2013CO 0.60 0.50 0.54 -0.97 -2.27 0.00 0.00 179.45 177.85 3fwp h ASN 2014N 0.78 0.94 -0.52 4.20 -1.24 -1.95 -2.42 115.58 115.37 3fwp h ASN 2014Ca 0.35 -0.03 0.14 0.00 0.71 0.00 0.00 56.30 57.47 3fwp h ASN 2014Cb 0.34 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 3fwp h ASN 2014CO -0.13 0.69 0.37 0.44 -1.29 0.00 0.00 177.43 177.51 3fwp h ASP 2015N 1.11 0.05 1.69 1.15 3.45 -1.75 -2.08 116.42 120.04 3fwp h ASP 2015Ca 0.30 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.73 3fwp h ASP 2015Cb -0.12 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 3fwp h ASP 2015CO -0.06 0.03 -0.17 -0.07 -1.57 0.00 0.00 179.24 177.39 3fwp h LEU 2016N 0.05 0.00 -1.36 1.55 4.07 -1.49 -3.48 115.31 114.66 3fwp h LEU 2016Ca 0.25 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.76 3fwp h LEU 2016Cb 0.92 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.67 3fwp h LEU 2016CO -0.02 0.17 -0.79 0.00 -1.08 0.00 0.00 178.44 176.72 3fwp n GLN 2017N -3.16 -5.29 -0.92 1.13 1.13 -0.78 -1.74 117.38 107.74 3fwp n GLN 2017Ca 0.03 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.70 3fwp n GLN 2017Cb 0.57 -5.34 0.00 0.00 0.11 0.00 0.00 30.24 25.57 3fwp n GLN 2017CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fwp n GLY 2018N -1.66 0.73 3.76 1.08 0.00 -1.26 -4.61 105.19 103.24 3fwp n GLY 2018Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3fwp n GLY 2018CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp n ALA 2019N 0.77 2.31 -0.00 4.61 0.00 -0.71 -4.85 120.51 122.64 3fwp n ALA 2019Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3fwp n ALA 2019Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.03 3fwp n ALA 2019CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fwp n GLN 2020N 0.97 4.68 -5.09 0.00 6.02 -1.26 -4.26 117.38 118.44 3fwp n GLN 2020Ca 0.04 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 3fwp n GLN 2020Cb 0.38 -0.34 -0.15 0.00 1.02 0.00 0.00 30.24 31.15 3fwp n GLN 2020CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3fwp s LEU 2021N -1.34 2.35 -0.04 1.08 0.20 -1.26 0.11 118.68 119.79 3fwp s LEU 2021Ca 0.00 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 54.49 3fwp s LEU 2021Cb 0.00 -1.43 -0.00 0.00 -0.43 0.00 0.00 46.19 44.33 3fwp s LEU 2021CO 0.00 0.32 -0.15 0.00 -0.29 0.00 0.00 176.35 176.23 3fwp s ALA 2022N -0.69 1.35 -0.16 5.97 0.00 0.64 -1.70 121.76 127.17 3fwp s ALA 2022Ca 0.11 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 3fwp s ALA 2022Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3fwp s ALA 2022CO 0.00 0.24 0.51 0.42 0.00 0.00 0.00 175.76 176.93 3fwp s ILE 2023N 0.07 5.14 -0.62 0.00 1.01 0.78 -0.61 121.20 126.97 3fwp s ILE 2023Ca -0.03 0.97 0.04 0.00 0.00 0.00 0.00 60.65 61.63 3fwp s ILE 2023Cb -0.11 -3.84 0.16 0.00 0.01 0.00 0.00 42.46 38.69 3fwp s ILE 2023CO 0.02 0.25 0.42 0.68 0.00 0.00 0.00 174.94 176.30 3fwp s VAL 2024N 1.16 2.51 0.86 2.92 -7.23 0.45 -1.17 120.40 119.89 3fwp s VAL 2024Ca 0.25 -3.83 -0.12 0.00 -1.81 0.00 0.00 61.98 56.48 3fwp s VAL 2024Cb -0.15 -2.68 0.11 0.00 0.56 0.00 0.00 36.38 34.22 3fwp s VAL 2024CO 0.10 -0.98 1.10 -2.16 -0.31 0.00 0.00 175.10 172.85 3fwp s PRO 2025N -0.97 1.59 -0.00 4.82 0.04 -1.22 -3.65 135.00 135.60 3fwp s PRO 2025Ca 0.23 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.73 3fwp s PRO 2025Cb -0.09 -1.86 -0.31 0.00 0.04 0.00 0.00 34.50 32.28 3fwp s PRO 2025CO -0.12 -1.97 0.99 0.78 0.04 0.00 0.00 177.00 176.72 3fwp h GLY 2026N -1.34 0.50 -6.60 0.56 0.00 -1.85 -1.23 103.07 93.10 3fwp h GLY 2026Ca -0.49 -1.14 -0.61 0.00 0.00 0.00 0.00 47.33 45.09 3fwp h GLY 2026CO 0.58 1.00 -0.13 -0.35 0.00 0.00 0.00 176.54 177.64 3fwp s ASP 2027N -7.16 6.43 0.44 0.19 -1.08 -1.26 -1.20 116.67 113.03 3fwp s ASP 2027Ca -0.12 0.51 0.19 0.00 -0.52 0.00 0.00 52.55 52.61 3fwp s ASP 2027Cb 0.03 -2.25 1.14 0.00 -1.46 0.00 0.00 42.92 40.38 3fwp s ASP 2027CO 0.88 -0.16 1.89 -0.65 0.52 0.00 0.00 175.17 177.65 3fwp h PRO 2028N 7.67 0.32 0.00 4.34 0.11 -1.89 -1.37 132.00 141.18 3fwp h PRO 2028Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3fwp h PRO 2028Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3fwp h PRO 2028CO 0.71 0.21 0.00 0.93 -0.21 0.00 0.00 178.00 179.64 3fwp h GLU 2029N 0.33 0.00 -0.00 1.05 4.39 -1.96 -2.44 114.58 115.95 3fwp h GLU 2029Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 3fwp h GLU 2029Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3fwp h GLU 2029CO -0.13 0.00 -0.44 0.54 -1.16 0.00 0.00 179.01 177.83 3fwp n ARG 2030N -3.06 0.30 -0.03 2.33 3.00 -0.52 -4.49 116.66 114.18 3fwp n ARG 2030Ca -0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 57.85 57.54 3fwp n ARG 2030Cb 0.25 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.14 3fwp n ARG 2030CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3fwp h VAL 2031N 0.43 1.24 -0.56 1.55 2.07 -1.48 -2.68 116.25 116.82 3fwp h VAL 2031Ca 0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3fwp h VAL 2031Cb 0.50 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 3fwp h VAL 2031CO 0.00 0.22 0.24 -0.08 0.02 0.00 0.00 177.57 177.97 3fwp h GLU 2032N -0.09 0.83 -0.99 1.57 4.81 -1.79 -1.37 114.58 117.56 3fwp h GLU 2032Ca 0.03 -0.14 0.16 0.00 -0.13 0.00 0.00 59.36 59.28 3fwp h GLU 2032Cb 0.33 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 3fwp h GLU 2032CO 0.00 0.70 0.60 0.87 -0.73 0.00 0.00 179.01 180.45 3fwp h LYS 2033N 0.76 0.79 0.00 1.92 1.79 -1.78 0.40 116.57 120.46 3fwp h LYS 2033Ca 0.19 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3fwp h LYS 2033Cb 0.17 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3fwp h LYS 2033CO -0.02 0.53 -0.00 0.82 -1.08 0.00 0.00 179.45 179.70 3fwp h ILE 2034N 0.82 1.57 -0.26 1.86 2.04 -1.26 -3.27 117.51 119.00 3fwp h ILE 2034Ca 0.54 -1.68 0.07 0.00 1.00 0.00 0.00 64.86 64.79 3fwp h ILE 2034Cb 0.75 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.53 3fwp h ILE 2034CO -0.35 0.43 0.19 0.00 0.00 0.00 0.00 178.15 178.43 3fwp h ALA 2035N 0.28 2.21 0.00 1.87 0.00 -0.63 -1.80 119.26 121.19 3fwp h ALA 2035Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fwp h ALA 2035Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3fwp h ALA 2035CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.97 3fwp h ALA 2036N 1.87 1.00 -0.00 0.00 0.00 -0.28 -1.83 119.26 120.02 3fwp h ALA 2036Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3fwp h ALA 2036Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fwp h ALA 2036CO -0.01 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 180.45 3fwp n LEU 2037N -2.42 0.09 -4.73 0.00 4.77 -0.67 -4.89 117.00 109.14 3fwp n LEU 2037Ca 0.01 0.40 -0.26 0.00 -0.03 0.00 0.00 56.01 56.14 3fwp n LEU 2037Cb 0.22 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.79 3fwp n LEU 2037CO 0.20 0.02 -0.18 -0.04 -1.33 0.00 0.00 177.39 176.07 3fwp s MET 2038N -2.96 2.18 0.57 3.23 -1.94 -0.69 -5.12 119.30 114.56 3fwp s MET 2038Ca 0.15 -1.93 -0.18 0.00 -1.71 0.00 0.00 55.69 52.02 3fwp s MET 2038Cb 0.19 -1.90 -0.05 0.00 2.01 0.00 0.00 34.83 35.08 3fwp s MET 2038CO 0.55 -0.14 1.10 -0.51 -0.01 0.00 0.00 175.02 176.01 3fwp s ASP 2039N -3.89 5.68 -1.14 3.03 1.01 -0.03 -4.27 116.67 117.06 3fwp s ASP 2039Ca 0.38 2.05 -0.28 0.00 0.71 0.00 0.00 52.55 55.40 3fwp s ASP 2039Cb 0.05 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.45 3fwp s ASP 2039CO 0.21 -1.24 0.67 0.29 0.21 0.00 0.00 175.17 175.31 3fwp n LYS 2040N -1.62 -0.49 -2.68 8.23 5.02 -1.26 -0.37 118.16 124.99 3fwp n LYS 2040Ca 0.11 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.18 3fwp n LYS 2040Cb 0.52 -2.52 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 3fwp n LYS 2040CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fwp s PRO 2041N -6.95 4.45 -0.03 1.97 0.04 -1.26 -4.34 135.00 128.88 3fwp s PRO 2041Ca 0.41 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.89 3fwp s PRO 2041Cb -0.22 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.80 3fwp s PRO 2041CO 0.96 -0.27 -0.08 0.08 0.04 0.00 0.00 177.00 177.73 3fwp s VAL 2042N 1.80 0.71 0.18 -0.36 1.01 0.39 -5.00 120.40 119.14 3fwp s VAL 2042Ca 0.50 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 3fwp s VAL 2042Cb -0.19 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 3fwp s VAL 2042CO 0.20 0.24 1.27 -0.75 0.00 0.00 0.00 175.10 176.06 3fwp s LYS 2043N 0.40 4.42 -0.18 2.72 2.20 -1.26 -0.54 119.74 127.50 3fwp s LYS 2043Ca -0.06 1.98 -0.16 0.00 -0.36 0.00 0.00 55.97 57.37 3fwp s LYS 2043Cb -0.10 -3.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.93 3fwp s LYS 2043CO 0.01 -0.22 -0.31 1.28 -0.36 0.00 0.00 175.35 175.75 3fwp n LEU 2044N 2.78 1.91 -3.56 5.43 4.77 0.23 -4.87 117.00 123.70 3fwp n LEU 2044Ca 0.06 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.33 3fwp n LEU 2044Cb 0.44 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 3fwp n LEU 2044CO 0.57 -0.24 0.41 0.00 -1.33 0.00 0.00 177.39 176.79 3fwp s ALA 2045N -2.84 -1.44 -0.22 -1.18 0.00 -1.01 -5.00 121.76 110.06 3fwp s ALA 2045Ca -0.27 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 3fwp s ALA 2045Cb 0.04 0.87 0.10 0.00 0.00 0.00 0.00 23.12 24.14 3fwp s ALA 2045CO 0.40 -0.84 0.25 0.45 0.00 0.00 0.00 175.76 176.01 3fwp s SER 2046N -2.80 1.24 -0.05 0.00 0.15 -1.26 -0.55 113.70 110.42 3fwp s SER 2046Ca 0.04 -0.21 -0.02 0.00 0.70 0.00 0.00 55.95 56.47 3fwp s SER 2046Cb -0.02 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 3fwp s SER 2046CO -0.07 -0.33 0.11 -1.00 1.20 0.00 0.00 173.24 173.15 3fwp s HIS 2047N 2.36 -0.10 0.00 3.44 3.76 -0.85 -5.00 115.29 118.90 3fwp s HIS 2047Ca 0.08 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.36 3fwp s HIS 2047Cb -0.16 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.40 3fwp s HIS 2047CO -0.15 -0.14 0.00 0.54 -0.85 0.00 0.00 174.74 174.14 3fwp n ARG 2048N 4.19 0.00 -0.15 1.40 5.12 -1.26 -0.56 116.66 125.40 3fwp n ARG 2048Ca -0.27 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.74 3fwp n ARG 2048Cb 0.51 0.00 0.26 0.00 -1.16 0.00 0.00 32.46 32.08 3fwp n ARG 2048CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 3fwp n GLU 2049N 14.00 1.91 -3.44 5.56 0.00 -1.26 -4.74 120.64 132.67 3fwp n GLU 2049Ca 0.00 -1.39 -0.44 0.00 0.00 0.00 0.00 57.16 55.33 3fwp n GLU 2049Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 31.44 30.03 3fwp n GLU 2049CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3fwp s PHE 2050N -1.59 3.65 -0.24 -1.84 0.40 0.28 -3.89 117.98 114.75 3fwp s PHE 2050Ca 0.30 -2.18 -0.11 0.00 -0.60 0.00 0.00 56.93 54.34 3fwp s PHE 2050Cb 0.16 -3.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.00 3fwp s PHE 2050CO 0.23 -0.95 0.19 0.99 0.70 0.00 0.00 175.22 176.38 3fwp s THR 2051N 0.13 5.34 -0.05 0.64 2.01 -1.26 -2.00 115.64 120.44 3fwp s THR 2051Ca 0.17 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.48 3fwp s THR 2051Cb -0.13 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3fwp s THR 2051CO -0.07 0.33 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.01 3fwp s SER 2052N 1.08 3.17 0.09 3.53 1.04 0.29 -1.56 113.70 121.35 3fwp s SER 2052Ca 0.09 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.12 3fwp s SER 2052Cb -0.14 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 3fwp s SER 2052CO 0.05 0.27 -0.20 0.26 0.98 0.00 0.00 173.24 174.60 3fwp s TRP 2053N -0.29 1.68 -0.03 5.02 0.52 0.43 -0.60 118.94 125.66 3fwp s TRP 2053Ca 0.01 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.71 3fwp s TRP 2053Cb -0.13 -0.93 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 3fwp s TRP 2053CO 0.02 0.17 -0.02 0.50 0.02 0.00 0.00 176.95 177.65 3fwp s ARG 2054N -1.84 2.80 0.03 4.98 3.52 0.30 -0.91 118.95 127.83 3fwp s ARG 2054Ca 0.05 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 3fwp s ARG 2054Cb -0.10 -2.67 -0.00 0.00 -1.56 0.00 0.00 34.95 30.62 3fwp s ARG 2054CO 0.04 0.65 0.02 0.00 -0.81 0.00 0.00 175.30 175.20 3fwp n ALA 2055N 1.74 0.06 -3.60 6.12 0.00 0.18 -0.46 120.51 124.55 3fwp n ALA 2055Ca -0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 3fwp n ALA 2055Cb 0.53 0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.95 3fwp n ALA 2055CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fwp s GLU 2056N -2.11 -0.02 -0.08 0.00 2.12 0.51 -0.98 118.70 118.13 3fwp s GLU 2056Ca 0.03 0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.52 3fwp s GLU 2056Cb 0.00 -0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.22 3fwp s GLU 2056CO 0.02 -0.14 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.41 3fwp s LEU 2057N 0.88 0.83 -1.09 2.70 2.96 0.94 -0.85 118.68 125.06 3fwp s LEU 2057Ca -0.07 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 3fwp s LEU 2057Cb -0.10 -0.58 0.05 0.00 0.50 0.00 0.00 46.19 46.05 3fwp s LEU 2057CO -0.03 -0.16 0.29 0.47 -1.32 0.00 0.00 176.35 175.60 3fwp n ASP 2058N 5.02 -3.41 0.00 3.68 8.00 -1.26 -0.83 116.55 127.76 3fwp n ASP 2058Ca -0.10 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.26 3fwp n ASP 2058Cb 0.50 -2.87 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 3fwp n ASP 2058CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fwp n GLY 2059N -0.98 0.79 3.54 0.44 0.00 -1.26 -5.04 105.19 102.68 3fwp n GLY 2059Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3fwp n GLY 2059CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwp s LYS 2060N -0.29 3.04 0.25 1.61 1.02 -0.01 -5.09 119.74 120.27 3fwp s LYS 2060Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 3fwp s LYS 2060Cb 0.00 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 3fwp s LYS 2060CO 0.00 0.52 1.38 0.00 -0.92 0.00 0.00 175.35 176.32 3fwp s ALA 2061N -0.41 3.57 0.07 5.17 0.00 -1.26 -0.04 121.76 128.86 3fwp s ALA 2061Ca 0.06 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3fwp s ALA 2061Cb -0.12 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3fwp s ALA 2061CO 0.02 -0.66 -0.15 0.14 0.00 0.00 0.00 175.76 175.11 3fwp s VAL 2062N -0.18 1.22 -0.05 0.00 -7.23 -0.15 -4.15 120.40 109.85 3fwp s VAL 2062Ca 0.57 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3fwp s VAL 2062Cb -0.40 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 3fwp s VAL 2062CO 0.44 -0.17 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.39 3fwp s ILE 2063N -1.21 3.94 -0.19 -0.62 -1.09 -0.69 -0.64 121.20 120.70 3fwp s ILE 2063Ca -0.00 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 57.95 3fwp s ILE 2063Cb -0.10 -2.67 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 3fwp s ILE 2063CO 0.02 0.53 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.43 3fwp s VAL 2064N -0.91 1.86 -0.03 2.92 1.01 -0.09 -0.15 120.40 125.02 3fwp s VAL 2064Ca 0.15 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3fwp s VAL 2064Cb -0.11 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3fwp s VAL 2064CO 0.04 0.32 -0.01 0.00 0.00 0.00 0.00 175.10 175.45 3fwp s SER 2066N 0.82 6.47 -0.04 0.00 1.04 -0.60 -3.46 113.70 117.93 3fwp s SER 2066Ca -0.09 1.68 0.14 0.00 0.48 0.00 0.00 55.95 58.16 3fwp s SER 2066Cb -0.12 -2.52 -0.21 0.00 0.10 0.00 0.00 66.02 63.27 3fwp s SER 2066CO -0.01 -0.69 0.26 0.35 0.98 0.00 0.00 173.24 174.12 3fwp n THR 2067N -1.46 0.17 -1.50 2.02 -2.24 -0.46 -4.41 114.28 106.38 3fwp n THR 2067Ca 0.07 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3fwp n THR 2067Cb 0.54 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3fwp n THR 2067CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fwp n GLY 2068N 1.80 -2.23 3.73 3.38 0.00 -0.34 -3.43 105.19 108.10 3fwp n GLY 2068Ca -0.06 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3fwp n GLY 2068CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 2069N -0.62 4.93 0.00 -0.61 1.01 -1.26 -4.73 121.20 119.92 3fwp s ILE 2069Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3fwp s ILE 2069Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3fwp s ILE 2069CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3fwp n GLY 2070N 2.81 0.62 0.20 6.18 0.00 -1.26 -4.55 105.19 109.20 3fwp n GLY 2070Ca -0.02 -1.69 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 3fwp n GLY 2070CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fwp h GLY 2071N 0.00 0.59 0.04 -0.02 0.00 -1.84 -2.43 103.07 99.42 3fwp h GLY 2071Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.42 3fwp h GLY 2071CO 0.00 -0.11 -0.22 -2.55 0.00 0.00 0.00 176.54 173.66 3fwp h PRO 2072N 0.18 -0.16 -0.34 4.80 0.11 -1.94 0.37 132.00 135.02 3fwp h PRO 2072Ca 0.26 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 3fwp h PRO 2072Cb 0.38 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3fwp h PRO 2072CO -0.38 -0.11 -0.29 0.66 -0.21 0.00 0.00 178.00 177.67 3fwp h SER 2073N -0.17 0.75 -0.38 -2.05 4.64 -1.79 -2.72 113.55 111.84 3fwp h SER 2073Ca 0.18 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3fwp h SER 2073Cb 0.44 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3fwp h SER 2073CO -0.46 1.00 0.24 0.74 -0.87 0.00 0.00 176.83 177.48 3fwp h THR 2074N 0.62 1.08 -0.42 2.95 2.02 -0.92 -1.91 112.91 116.34 3fwp h THR 2074Ca 0.07 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3fwp h THR 2074Cb 0.81 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3fwp h THR 2074CO 0.07 0.09 0.28 0.77 0.37 0.00 0.00 175.52 177.09 3fwp h SER 2075N 0.49 0.43 0.01 4.18 4.64 -0.11 0.10 113.55 123.29 3fwp h SER 2075Ca 0.14 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3fwp h SER 2075Cb -0.04 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3fwp h SER 2075CO -0.04 0.30 -0.01 0.40 -0.87 0.00 0.00 176.83 176.61 3fwp h ILE 2076N 0.50 1.33 -0.22 0.95 2.04 -1.16 -2.18 117.51 118.77 3fwp h ILE 2076Ca 0.16 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3fwp h ILE 2076Cb 0.03 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3fwp h ILE 2076CO -0.04 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.50 3fwp h ALA 2077N 0.50 0.27 0.03 1.87 0.00 -0.88 -1.93 119.26 119.12 3fwp h ALA 2077Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fwp h ALA 2077Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fwp h ALA 2077CO 0.00 -0.28 -0.01 0.28 0.00 0.00 0.00 179.25 179.24 3fwp h VAL 2078N 0.26 1.11 -0.29 0.00 2.07 -0.90 -0.79 116.25 117.70 3fwp h VAL 2078Ca 0.08 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3fwp h VAL 2078Cb -0.00 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3fwp h VAL 2078CO -0.04 0.11 -0.12 -0.08 0.02 0.00 0.00 177.57 177.45 3fwp h GLU 2079N -0.22 -0.07 -0.17 1.57 4.57 -1.36 -0.17 114.58 118.74 3fwp h GLU 2079Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 3fwp h GLU 2079Cb 0.20 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3fwp h GLU 2079CO 0.01 -0.04 -0.56 0.93 -1.18 0.00 0.00 179.01 178.16 3fwp h GLU 2080N -0.07 0.52 -0.61 1.92 5.08 -1.29 -1.52 114.58 118.61 3fwp h GLU 2080Ca 0.15 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3fwp h GLU 2080Cb 0.30 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3fwp h GLU 2080CO -0.34 0.94 0.25 -0.07 -1.00 0.00 0.00 179.01 178.79 3fwp h LEU 2081N 0.40 0.81 -0.93 1.33 3.38 -0.94 -2.35 115.31 117.00 3fwp h LEU 2081Ca 0.00 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3fwp h LEU 2081Cb 1.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3fwp h LEU 2081CO 0.10 0.72 -0.08 0.00 0.09 0.00 0.00 178.44 179.28 3fwp h ALA 2082N 1.40 1.11 -0.49 1.53 0.00 -0.61 -0.64 119.26 121.56 3fwp h ALA 2082Ca 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3fwp h ALA 2082Cb 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fwp h ALA 2082CO -0.02 0.56 0.15 1.96 0.00 0.00 0.00 179.25 181.90 3fwp h GLN 2083N 0.64 0.73 -0.00 0.00 4.20 -0.95 -2.63 115.11 117.11 3fwp h GLN 2083Ca 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fwp h GLN 2083Cb 0.51 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3fwp h GLN 2083CO 0.03 0.64 -0.13 1.28 -0.67 0.00 0.00 178.83 179.98 3fwp n LEU 2084N -4.31 0.32 0.00 1.46 4.77 -0.92 -4.91 117.00 113.41 3fwp n LEU 2084Ca 0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3fwp n LEU 2084Cb 0.19 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3fwp n LEU 2084CO 0.39 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3fwp n GLY 2085N 1.36 1.12 3.74 -0.72 0.00 -0.91 -4.74 105.19 105.04 3fwp n GLY 2085Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3fwp n GLY 2085CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwp s ILE 2086N -1.69 2.90 0.00 -0.61 -1.09 -0.29 -4.56 121.20 115.86 3fwp s ILE 2086Ca 0.00 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3fwp s ILE 2086Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 3fwp s ILE 2086CO 0.00 0.10 0.00 0.54 -1.23 0.00 0.00 174.94 174.35 3fwp n ARG 2087N 2.72 4.36 -4.48 2.79 5.12 0.12 -4.20 116.66 123.09 3fwp n ARG 2087Ca 0.08 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.74 3fwp n ARG 2087Cb 0.41 -0.56 -0.17 0.00 -1.16 0.00 0.00 32.46 30.99 3fwp n ARG 2087CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3fwp s THR 2088N -1.06 1.15 -0.12 0.55 2.01 -0.71 -0.97 115.64 116.48 3fwp s THR 2088Ca 0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3fwp s THR 2088Cb 0.00 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.45 3fwp s THR 2088CO 0.00 0.36 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.73 3fwp s PHE 2089N 0.84 2.44 -0.27 4.92 0.40 0.13 -0.26 117.98 126.17 3fwp s PHE 2089Ca -0.11 -1.16 0.02 0.00 -0.60 0.00 0.00 56.93 55.08 3fwp s PHE 2089Cb -0.15 -1.67 0.06 0.00 0.51 0.00 0.00 43.02 41.77 3fwp s PHE 2089CO 0.02 -0.54 -0.08 -0.51 0.70 0.00 0.00 175.22 174.81 3fwp s LEU 2090N 0.77 3.64 0.03 -0.37 1.43 0.22 -1.37 118.68 123.03 3fwp s LEU 2090Ca -0.09 -1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 51.29 3fwp s LEU 2090Cb -0.16 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 3fwp s LEU 2090CO 0.00 -0.22 0.88 -0.60 0.23 0.00 0.00 176.35 176.64 3fwp s ARG 2091N 1.11 4.56 -0.07 1.70 3.52 -0.28 -0.41 118.95 129.08 3fwp s ARG 2091Ca -0.07 1.25 0.05 0.00 -0.13 0.00 0.00 55.73 56.84 3fwp s ARG 2091Cb -0.20 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.77 3fwp s ARG 2091CO -0.04 0.11 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.82 3fwp s ILE 2092N 0.48 2.00 0.27 4.11 2.07 -1.24 -1.61 121.20 127.28 3fwp s ILE 2092Ca 0.45 -1.02 -0.00 0.00 -1.41 0.00 0.00 60.65 58.67 3fwp s ILE 2092Cb -0.21 -1.71 -0.03 0.00 0.13 0.00 0.00 42.46 40.65 3fwp s ILE 2092CO 0.26 0.55 0.28 -0.83 -1.91 0.00 0.00 174.94 173.29 3fwp s GLY 2093N 0.02 1.61 0.11 1.50 0.00 -0.75 -4.10 107.32 105.71 3fwp s GLY 2093Ca -0.09 -1.68 0.08 0.00 0.00 0.00 0.00 44.72 43.03 3fwp s GLY 2093CO 0.05 -1.26 -0.16 -0.51 0.00 0.00 0.00 173.10 171.22 3fwp s THR 2094N -3.74 2.95 0.09 0.90 -4.23 -1.26 -1.84 115.64 108.50 3fwp s THR 2094Ca 0.36 -1.44 -0.11 0.00 -1.18 0.00 0.00 61.69 59.32 3fwp s THR 2094Cb 0.03 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.53 3fwp s THR 2094CO 0.18 0.12 0.25 0.28 -0.54 0.00 0.00 174.62 174.90 3fwp s THR 2095N -1.15 0.12 0.00 3.99 -1.32 0.85 -4.85 115.64 113.28 3fwp s THR 2095Ca 0.18 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 3fwp s THR 2095Cb -0.11 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 3fwp s THR 2095CO 0.11 -0.54 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 3fwp n GLY 2096N 0.05 -0.89 3.18 6.08 0.00 -1.26 -0.84 105.19 111.51 3fwp n GLY 2096Ca -0.16 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 3fwp n GLY 2096CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp s ALA 2097N -3.90 -0.37 -0.16 4.61 0.00 -0.91 -4.63 121.76 116.39 3fwp s ALA 2097Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3fwp s ALA 2097Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.40 3fwp s ALA 2097CO 0.00 -0.35 0.65 0.44 0.00 0.00 0.00 175.76 176.50 3fwp n ILE 2098N 0.76 0.22 -4.19 0.00 -5.35 -0.17 -3.44 119.36 107.18 3fwp n ILE 2098Ca -0.19 -0.61 -0.34 0.00 -0.27 0.00 0.00 62.75 61.34 3fwp n ILE 2098Cb 0.59 0.91 -0.11 0.00 -1.74 0.00 0.00 39.64 39.29 3fwp n ILE 2098CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3fwp s GLN 2099N -0.31 3.80 0.50 6.28 -1.52 -1.24 -4.87 119.66 122.30 3fwp s GLN 2099Ca 0.02 -0.44 0.22 0.00 -1.95 0.00 0.00 55.36 53.21 3fwp s GLN 2099Cb 0.01 -3.07 1.33 0.00 -0.22 0.00 0.00 33.01 31.07 3fwp s GLN 2099CO 0.02 0.22 2.08 -1.35 -0.25 0.00 0.00 175.29 176.01 3fwp h PRO 2100N 6.80 0.00 0.00 2.91 0.11 -1.96 -2.02 132.00 137.84 3fwp h PRO 2100Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fwp h PRO 2100Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fwp h PRO 2100CO 0.66 0.12 0.00 -2.39 -0.21 0.00 0.00 178.00 176.18 3fwp n HIS 2101N -3.99 0.56 -3.28 0.65 1.44 -1.26 -4.66 115.22 104.68 3fwp n HIS 2101Ca -0.02 0.19 -0.39 0.00 -2.01 0.00 0.00 57.72 55.48 3fwp n HIS 2101Cb 0.21 -0.81 -0.08 0.00 0.12 0.00 0.00 29.99 29.43 3fwp n HIS 2101CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3fwp s ILE 2102N -3.13 5.11 0.24 0.61 1.01 -0.76 -5.07 121.20 119.20 3fwp s ILE 2102Ca 0.09 0.81 0.08 0.00 0.00 0.00 0.00 60.65 61.62 3fwp s ILE 2102Cb 0.12 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3fwp s ILE 2102CO 0.46 0.13 0.10 0.20 0.00 0.00 0.00 174.94 175.84 3fwp s ASN 2103N 1.47 5.13 0.19 3.58 0.01 -1.26 -4.88 114.94 119.17 3fwp s ASN 2103Ca 0.20 -0.38 -0.33 0.00 -0.71 0.00 0.00 52.86 51.64 3fwp s ASN 2103Cb -0.16 -1.19 -0.14 0.00 0.41 0.00 0.00 41.25 40.18 3fwp s ASN 2103CO 0.09 0.00 1.54 0.52 -1.51 0.00 0.00 177.10 177.74 3fwp n VAL 2104N -0.87 0.31 0.00 1.60 0.31 -1.26 -1.87 118.33 116.55 3fwp n VAL 2104Ca -0.08 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3fwp n VAL 2104Cb 0.58 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 3fwp n VAL 2104CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fwp n GLY 2105N 3.02 2.07 3.73 2.92 0.00 0.48 -5.00 105.19 112.40 3fwp n GLY 2105Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3fwp n GLY 2105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwp s ASP 2106N -0.03 3.97 -0.07 1.61 -0.00 -0.78 -4.73 116.67 116.64 3fwp s ASP 2106Ca 0.00 2.07 0.05 0.00 -0.00 0.00 0.00 52.55 54.67 3fwp s ASP 2106Cb 0.00 -2.55 -0.01 0.00 -0.00 0.00 0.00 42.92 40.35 3fwp s ASP 2106CO 0.00 -2.40 -0.21 -0.69 -0.00 0.00 0.00 175.17 171.87 3fwp s VAL 2107N -2.58 2.37 -0.20 -1.27 1.01 0.43 -0.36 120.40 119.80 3fwp s VAL 2107Ca 0.66 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3fwp s VAL 2107Cb -0.22 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3fwp s VAL 2107CO 0.53 0.57 -0.01 -0.76 0.00 0.00 0.00 175.10 175.42 3fwp s LEU 2108N -0.12 3.17 -0.21 3.92 1.43 0.19 -0.55 118.68 126.50 3fwp s LEU 2108Ca -0.04 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3fwp s LEU 2108Cb -0.14 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3fwp s LEU 2108CO 0.04 0.06 0.04 -0.69 0.23 0.00 0.00 176.35 176.03 3fwp s VAL 2109N 1.04 4.26 -0.25 -1.59 1.01 0.03 -0.80 120.40 124.09 3fwp s VAL 2109Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3fwp s VAL 2109Cb -0.14 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3fwp s VAL 2109CO 0.01 0.40 0.48 -0.89 0.00 0.00 0.00 175.10 175.10 3fwp s THR 2110N 1.09 5.10 0.02 3.92 2.01 -0.90 -1.73 115.64 125.16 3fwp s THR 2110Ca 0.03 0.81 -0.11 0.00 0.31 0.00 0.00 61.69 62.73 3fwp s THR 2110Cb -0.14 -3.80 -0.32 0.00 0.01 0.00 0.00 72.50 68.25 3fwp s THR 2110CO 0.02 0.12 0.95 0.71 -0.69 0.00 0.00 174.62 175.74 3fwp h THR 2111N 5.35 1.25 -2.67 -0.82 1.35 -1.53 -3.40 112.91 112.43 3fwp h THR 2111Ca -0.30 -2.76 0.07 0.00 -0.55 0.00 0.00 66.41 62.87 3fwp h THR 2111Cb 1.15 2.94 -0.11 0.00 -1.73 0.00 0.00 68.15 70.40 3fwp h THR 2111CO 0.70 0.84 0.34 0.00 -0.25 0.00 0.00 175.52 177.15 3fwp s ALA 2112N -2.61 -1.61 0.06 6.62 0.00 -1.26 -0.53 121.76 122.43 3fwp s ALA 2112Ca -0.09 0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.41 3fwp s ALA 2112Cb 0.05 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3fwp s ALA 2112CO 0.91 -0.83 -0.24 -1.12 0.00 0.00 0.00 175.76 174.48 3fwp s SER 2113N -2.73 2.84 -0.03 0.00 0.01 -0.08 -2.33 113.70 111.38 3fwp s SER 2113Ca 0.06 -0.59 -0.30 0.00 1.31 0.00 0.00 55.95 56.43 3fwp s SER 2113Cb -0.02 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 3fwp s SER 2113CO -0.06 0.19 1.44 -0.69 0.41 0.00 0.00 173.24 174.53 3fwp s VAL 2114N -0.86 3.75 -1.20 3.43 1.01 0.49 -4.35 120.40 122.67 3fwp s VAL 2114Ca 0.10 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 3fwp s VAL 2114Cb -0.09 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.72 3fwp s VAL 2114CO 0.03 -0.03 1.51 -0.13 0.00 0.00 0.00 175.10 176.48 3fwp s ARG 2115N 2.86 3.97 -0.47 2.72 0.52 -1.26 -1.49 118.95 125.80 3fwp s ARG 2115Ca 0.65 -2.19 0.03 0.00 -0.52 0.00 0.00 55.73 53.69 3fwp s ARG 2115Cb -0.31 -5.24 0.60 0.00 0.52 0.00 0.00 34.95 30.53 3fwp s ARG 2115CO 0.26 -1.97 1.91 1.28 0.02 0.00 0.00 175.30 176.80 3fwp n LEU 2116N 6.94 6.80 0.00 2.53 4.77 -0.01 -4.93 117.00 133.10 3fwp n LEU 2116Ca 0.39 -3.66 -0.23 0.00 -0.03 0.00 0.00 56.01 52.49 3fwp n LEU 2116Cb 0.45 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 3fwp n LEU 2116CO 0.67 1.11 -0.10 -0.90 -1.33 0.00 0.00 177.39 176.84 3fwp n ASP 2117N -1.04 2.80 -0.03 -1.43 3.85 -1.19 -1.49 116.55 118.02 3fwp n ASP 2117Ca 0.58 -2.58 -0.04 0.00 -0.71 0.00 0.00 54.79 52.04 3fwp n ASP 2117Cb 1.45 0.16 -0.04 0.00 -1.35 0.00 0.00 41.12 41.34 3fwp n ASP 2117CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fwp n GLY 2118N 0.30 -0.23 0.27 6.12 0.00 -1.26 -4.75 105.19 105.64 3fwp n GLY 2118Ca -0.11 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.84 3fwp n GLY 2118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp h ALA 2119N 0.19 1.47 -0.65 4.61 0.00 -1.98 -2.21 119.26 120.69 3fwp h ALA 2119Ca -0.16 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3fwp h ALA 2119Cb 1.33 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3fwp h ALA 2119CO -0.00 0.38 0.43 0.66 0.00 0.00 0.00 179.25 180.72 3fwp h SER 2120N 0.40 0.52 0.56 0.00 4.64 -1.85 -0.63 113.55 117.19 3fwp h SER 2120Ca 0.09 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3fwp h SER 2120Cb 0.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3fwp h SER 2120CO 0.01 0.32 0.00 0.18 -0.87 0.00 0.00 176.83 176.47 3fwp n LEU 2121N -4.48 0.56 -0.14 5.97 4.77 -0.83 -1.55 117.00 121.29 3fwp n LEU 2121Ca 0.10 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 3fwp n LEU 2121Cb 0.29 -0.61 0.65 0.00 -2.33 0.00 0.00 43.42 41.43 3fwp n LEU 2121CO 0.34 -0.59 0.91 1.41 -1.33 0.00 0.00 177.39 178.12 3fwp n HIS 2122N -2.14 0.00 0.00 -1.77 8.25 -0.24 -4.11 115.22 115.21 3fwp n HIS 2122Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3fwp n HIS 2122Cb 0.18 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3fwp n HIS 2122CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fwp n PHE 2123N -0.84 0.00 -3.71 4.41 3.01 -0.60 -5.09 117.46 114.65 3fwp n PHE 2123Ca 0.16 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 3fwp n PHE 2123Cb 0.26 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.64 3fwp n PHE 2123CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fwp s ALA 2124N -1.94 -1.06 0.83 4.37 0.00 -0.68 -5.00 121.76 118.29 3fwp s ALA 2124Ca 0.00 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3fwp s ALA 2124Cb 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 23.12 22.95 3fwp s ALA 2124CO 0.00 -0.26 1.12 -1.25 0.00 0.00 0.00 175.76 175.38 3fwp s PRO 2125N -0.66 1.69 0.54 0.00 0.04 -1.26 -3.96 135.00 131.39 3fwp s PRO 2125Ca -0.08 1.38 0.26 0.00 0.04 0.00 0.00 61.00 62.60 3fwp s PRO 2125Cb -0.04 -1.82 1.42 0.00 0.04 0.00 0.00 34.50 34.11 3fwp s PRO 2125CO 0.04 -2.11 2.00 1.98 0.04 0.00 0.00 177.00 178.95 3fwp h MET 2126N -1.41 0.00 -0.28 4.56 4.05 -1.94 -0.39 114.93 119.52 3fwp h MET 2126Ca -0.44 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.04 3fwp h MET 2126Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 3fwp h MET 2126CO 0.47 0.00 0.19 0.93 0.23 0.00 0.00 176.91 178.73 3fwp h GLU 2127N 0.00 0.13 -6.63 0.39 3.07 -2.03 -3.42 114.58 106.08 3fwp h GLU 2127Ca 0.23 -0.01 -0.52 0.00 -0.50 0.00 0.00 59.36 58.55 3fwp h GLU 2127Cb 0.94 -0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.85 3fwp h GLU 2127CO -0.00 0.08 0.62 0.12 -1.40 0.00 0.00 179.01 178.43 3fwp s PHE 2128N -5.16 3.33 0.07 4.33 2.19 -0.16 -4.99 117.98 117.60 3fwp s PHE 2128Ca -0.06 1.26 -0.30 0.00 0.33 0.00 0.00 56.93 58.16 3fwp s PHE 2128Cb 0.18 -3.54 -0.05 0.00 -1.31 0.00 0.00 43.02 38.30 3fwp s PHE 2128CO 0.70 -1.66 1.14 -1.25 1.83 0.00 0.00 175.22 175.99 3fwp s PRO 2129N 0.16 4.48 -1.18 10.12 0.04 -1.26 -4.93 135.00 142.44 3fwp s PRO 2129Ca 0.57 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 3fwp s PRO 2129Cb -0.34 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 3fwp s PRO 2129CO 0.35 -0.16 2.24 0.00 0.04 0.00 0.00 177.00 179.47 3fwp n ALA 2130N 3.64 5.05 -2.80 8.56 0.00 -1.26 -4.74 120.51 128.97 3fwp n ALA 2130Ca 0.07 -3.31 -0.37 0.00 0.00 0.00 0.00 53.44 49.83 3fwp n ALA 2130Cb 0.47 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.41 3fwp n ALA 2130CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fwp s VAL 2131N 3.62 5.41 0.56 0.00 0.11 -1.26 -0.90 120.40 127.93 3fwp s VAL 2131Ca 0.53 0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 59.75 3fwp s VAL 2131Cb 0.14 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 3fwp s VAL 2131CO -0.01 0.60 1.05 0.00 -3.33 0.00 0.00 175.10 173.42 3fwp s ALA 2132N -0.97 2.78 0.30 1.54 0.00 0.32 -4.66 121.76 121.06 3fwp s ALA 2132Ca 0.17 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 3fwp s ALA 2132Cb -0.13 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3fwp s ALA 2132CO 0.06 -0.66 1.38 0.34 0.00 0.00 0.00 175.76 176.88 3fwp s ASP 2133N -2.51 6.67 0.16 0.00 -1.08 0.70 -4.95 116.67 115.66 3fwp s ASP 2133Ca 0.65 2.73 -0.13 0.00 -0.52 0.00 0.00 52.55 55.27 3fwp s ASP 2133Cb -0.16 -2.64 0.05 0.00 -1.46 0.00 0.00 42.92 38.70 3fwp s ASP 2133CO 0.31 -0.65 1.72 0.15 0.52 0.00 0.00 175.17 177.23 3fwp h PHE 2134N 4.01 0.79 -0.22 -5.34 3.57 -1.95 -1.67 116.94 116.12 3fwp h PHE 2134Ca -0.48 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 60.96 3fwp h PHE 2134Cb 1.22 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3fwp h PHE 2134CO 0.57 0.64 0.11 0.00 -2.23 0.00 0.00 178.31 177.41 3fwp h ALA 2135N 1.06 0.29 -0.32 2.41 0.00 -1.95 0.70 119.26 121.45 3fwp h ALA 2135Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fwp h ALA 2135Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fwp h ALA 2135CO -0.02 -0.17 0.21 0.00 0.00 0.00 0.00 179.25 179.28 3fwp h THR 2137N 0.43 1.15 -0.07 0.00 2.02 -1.18 -0.69 112.91 114.57 3fwp h THR 2137Ca 0.12 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 66.92 3fwp h THR 2137Cb -0.05 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3fwp h THR 2137CO -0.03 0.15 -0.18 0.74 0.37 0.00 0.00 175.52 176.58 3fwp h THR 2138N 0.37 0.56 -0.89 3.16 2.02 -0.70 -0.63 112.91 116.79 3fwp h THR 2138Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.33 3fwp h THR 2138Cb 0.10 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3fwp h THR 2138CO -0.01 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.46 3fwp h ALA 2139N 0.72 1.47 -0.24 6.16 0.00 -0.63 -0.18 119.26 126.55 3fwp h ALA 2139Ca 0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3fwp h ALA 2139Cb 0.36 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3fwp h ALA 2139CO -0.22 0.43 -0.28 -0.07 0.00 0.00 0.00 179.25 179.11 3fwp h LEU 2140N 1.08 0.67 -0.22 0.00 3.38 -0.77 -0.57 115.31 118.87 3fwp h LEU 2140Ca 0.36 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3fwp h LEU 2140Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fwp h LEU 2140CO -0.12 1.02 0.07 0.58 0.09 0.00 0.00 178.44 180.09 3fwp h VAL 2141N 0.33 1.19 -0.48 1.22 2.07 -0.79 -1.22 116.25 118.57 3fwp h VAL 2141Ca 0.03 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 3fwp h VAL 2141Cb 0.85 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3fwp h VAL 2141CO 0.07 0.19 0.04 -0.33 0.02 0.00 0.00 177.57 177.56 3fwp h GLU 2142N 0.19 0.77 -0.51 1.57 5.08 -1.06 -1.27 114.58 119.35 3fwp h GLU 2142Ca 0.07 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3fwp h GLU 2142Cb 0.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3fwp h GLU 2142CO -0.00 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 3fwp h ALA 2143N 1.31 1.04 -0.24 3.43 0.00 -0.96 -0.70 119.26 123.15 3fwp h ALA 2143Ca 0.15 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3fwp h ALA 2143Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fwp h ALA 2143CO 0.01 0.60 -0.33 0.00 0.00 0.00 0.00 179.25 179.53 3fwp h ALA 2144N 1.20 1.00 -0.27 0.00 0.00 -0.84 -2.99 119.26 117.36 3fwp h ALA 2144Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3fwp h ALA 2144Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3fwp h ALA 2144CO 0.02 0.60 -0.54 0.87 0.00 0.00 0.00 179.25 180.20 3fwp h LYS 2145N 0.43 0.84 -0.69 0.00 6.56 -0.99 0.49 116.57 123.20 3fwp h LYS 2145Ca 0.05 -0.55 0.01 0.00 -1.06 0.00 0.00 60.65 59.10 3fwp h LYS 2145Cb 0.78 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.47 3fwp h LYS 2145CO 0.06 1.18 0.46 0.66 -2.06 0.00 0.00 179.45 179.75 3fwp h SER 2146N 0.61 0.79 -0.43 0.86 4.64 -1.04 -1.39 113.55 117.58 3fwp h SER 2146Ca 0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fwp h SER 2146Cb 1.16 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3fwp h SER 2146CO 0.12 0.57 0.00 2.30 -0.87 0.00 0.00 176.83 178.95 3fwp n ILE 2147N -4.43 0.56 -2.27 0.95 -5.35 -1.14 -4.97 119.36 102.71 3fwp n ILE 2147Ca 0.07 -0.71 -0.12 0.00 -0.27 0.00 0.00 62.75 61.73 3fwp n ILE 2147Cb 0.04 0.69 -0.00 0.00 -1.74 0.00 0.00 39.64 38.63 3fwp n ILE 2147CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fwp n GLY 2148N 1.44 -0.09 3.78 3.28 0.00 -0.53 -5.01 105.19 108.07 3fwp n GLY 2148Ca 0.19 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3fwp n GLY 2148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwp s ALA 2149N -2.61 3.06 -0.46 4.61 0.00 0.13 -5.00 121.76 121.49 3fwp s ALA 2149Ca 0.02 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 3fwp s ALA 2149Cb -0.01 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3fwp s ALA 2149CO 0.02 -0.22 1.17 0.99 0.00 0.00 0.00 175.76 177.73 3fwp s THR 2150N -1.71 4.18 -0.08 0.00 2.01 -1.26 -4.69 115.64 114.09 3fwp s THR 2150Ca 0.59 1.22 0.02 0.00 0.31 0.00 0.00 61.69 63.83 3fwp s THR 2150Cb -0.21 -4.53 -0.02 0.00 0.01 0.00 0.00 72.50 67.74 3fwp s THR 2150CO 0.26 -0.94 -0.13 -0.89 -0.69 0.00 0.00 174.62 172.24 3fwp s THR 2151N 4.53 3.17 -0.11 -0.82 2.01 -1.26 -0.43 115.64 122.74 3fwp s THR 2151Ca 0.50 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.86 3fwp s THR 2151Cb -0.08 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 3fwp s THR 2151CO 0.31 0.57 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.61 3fwp s HIS 2152N -0.39 2.66 -0.16 4.92 3.76 0.29 -4.95 115.29 121.41 3fwp s HIS 2152Ca 0.05 -0.91 0.01 0.00 -0.15 0.00 0.00 55.06 54.05 3fwp s HIS 2152Cb -0.12 -1.76 0.00 0.00 1.11 0.00 0.00 32.58 31.81 3fwp s HIS 2152CO 0.02 -0.35 -0.16 0.08 -0.85 0.00 0.00 174.74 173.48 3fwp s VAL 2153N 0.36 2.53 -2.88 -0.90 1.01 -1.26 -0.79 120.40 118.47 3fwp s VAL 2153Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.01 3fwp s VAL 2153Cb -0.17 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3fwp s VAL 2153CO 0.07 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3fwp n GLY 2154N 4.15 -0.60 3.81 4.51 0.00 -0.71 -4.97 105.19 111.39 3fwp n GLY 2154Ca -0.19 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3fwp n GLY 2154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 2155N -3.77 5.05 -0.04 1.61 1.01 -1.26 -1.28 120.40 121.71 3fwp s VAL 2155Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 61.98 62.90 3fwp s VAL 2155Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3fwp s VAL 2155CO 0.00 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 3fwp s THR 2156N -0.77 2.57 -0.20 3.92 2.01 -0.98 -0.18 115.64 121.99 3fwp s THR 2156Ca 0.24 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 3fwp s THR 2156Cb -0.16 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3fwp s THR 2156CO 0.13 0.58 0.58 0.00 -0.69 0.00 0.00 174.62 175.22 3fwp s ALA 2157N -0.56 3.55 -0.30 7.40 0.00 0.38 -0.38 121.76 131.84 3fwp s ALA 2157Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 3fwp s ALA 2157Cb -0.11 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.14 3fwp s ALA 2157CO 0.01 -0.53 0.03 0.45 0.00 0.00 0.00 175.76 175.72 3fwp s SER 2158N 1.21 4.93 -0.07 0.00 0.15 -0.56 -1.76 113.70 117.60 3fwp s SER 2158Ca 0.26 -1.00 0.02 0.00 0.70 0.00 0.00 55.95 55.93 3fwp s SER 2158Cb -0.16 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 3fwp s SER 2158CO 0.10 -0.23 -0.11 -0.55 1.20 0.00 0.00 173.24 173.65 3fwp s SER 2159N 1.37 4.31 0.00 5.45 0.15 -0.04 -0.83 113.70 124.11 3fwp s SER 2159Ca -0.01 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.66 3fwp s SER 2159Cb -0.18 -1.11 0.69 0.00 -1.71 0.00 0.00 66.02 63.71 3fwp s SER 2159CO 0.00 0.32 1.51 0.47 1.20 0.00 0.00 173.24 176.75 3fwp n ASP 2160N 2.47 0.00 -4.27 5.45 10.43 -0.55 -4.32 116.55 125.76 3fwp n ASP 2160Ca -0.18 0.50 -0.21 0.00 2.57 0.00 0.00 54.79 57.48 3fwp n ASP 2160Cb 0.53 -0.50 -0.12 0.00 1.84 0.00 0.00 41.12 42.87 3fwp n ASP 2160CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fwp s THR 2161N -3.00 1.54 0.09 -3.53 -4.23 -1.26 -5.01 115.64 100.23 3fwp s THR 2161Ca 0.08 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 3fwp s THR 2161Cb 0.11 -1.56 -0.24 0.00 1.34 0.00 0.00 72.50 72.15 3fwp s THR 2161CO 0.29 -0.26 1.17 0.15 -0.54 0.00 0.00 174.62 175.43 3fwp h PHE 2162N 3.72 0.17 0.00 3.99 3.04 -1.98 -3.39 116.94 122.49 3fwp h PHE 2162Ca -0.42 -0.13 0.00 0.00 3.98 0.00 0.00 57.97 61.40 3fwp h PHE 2162Cb 1.19 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.70 3fwp h PHE 2162CO 0.65 1.11 0.00 0.66 -2.02 0.00 0.00 178.31 178.70 3fwp n TYR 2163N -3.39 0.00 0.09 0.41 4.02 -1.26 -4.38 117.16 112.65 3fwp n TYR 2163Ca -0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.84 3fwp n TYR 2163Cb 0.98 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.57 3fwp n TYR 2163CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3fwp h PRO 2164N 0.00 0.27 0.00 -0.72 0.13 -1.87 0.12 132.00 129.93 3fwp h PRO 2164Ca 0.00 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3fwp h PRO 2164Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 3fwp h PRO 2164CO 0.00 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 3fwp n GLY 2165N -0.44 -1.40 1.18 1.56 0.00 -1.26 -0.97 105.19 103.86 3fwp n GLY 2165Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3fwp n GLY 2165CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fwp n GLN 2166N -2.10 3.39 -3.98 1.61 6.02 -0.95 -4.93 117.38 116.45 3fwp n GLN 2166Ca 0.04 -2.71 -0.27 0.00 -0.01 0.00 0.00 57.00 54.05 3fwp n GLN 2166Cb 0.30 -1.77 -0.02 0.00 1.02 0.00 0.00 30.24 29.77 3fwp n GLN 2166CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3fwp n GLU 2167N 0.44 -3.50 -3.09 -1.09 2.13 -0.14 -4.91 120.64 110.47 3fwp n GLU 2167Ca 0.21 0.42 -0.39 0.00 0.66 0.00 0.00 57.16 58.06 3fwp n GLU 2167Cb 0.81 -4.71 -0.05 0.00 0.27 0.00 0.00 31.44 27.77 3fwp n GLU 2167CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3fwp s ARG 2168N -6.58 4.42 0.00 5.31 0.52 -0.01 -4.96 118.95 117.65 3fwp s ARG 2168Ca 0.15 0.83 0.17 0.00 -0.52 0.00 0.00 55.73 56.35 3fwp s ARG 2168Cb -0.08 -3.43 -0.13 0.00 0.52 0.00 0.00 34.95 31.83 3fwp s ARG 2168CO 0.89 0.11 0.78 0.66 0.02 0.00 0.00 175.30 177.75 3fwp n TYR 2169N 3.65 0.00 -1.51 -0.53 4.02 -1.26 -4.42 117.16 117.11 3fwp n TYR 2169Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 3fwp n TYR 2169Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 3fwp n TYR 2169CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3fwp n ASP 2170N -1.00 6.43 -4.03 7.72 3.85 -1.26 -4.18 116.55 124.07 3fwp n ASP 2170Ca 0.04 -2.70 -0.21 0.00 -0.71 0.00 0.00 54.79 51.22 3fwp n ASP 2170Cb 0.30 -1.60 -0.09 0.00 -1.35 0.00 0.00 41.12 38.37 3fwp n ASP 2170CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fwp s THR 2171N 2.67 0.46 0.17 2.12 -4.23 -1.26 -5.02 115.64 110.55 3fwp s THR 2171Ca 0.59 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 3fwp s THR 2171Cb 0.16 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.56 3fwp s THR 2171CO -0.07 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.95 3fwp h TYR 2172N 2.10 0.10 0.00 3.99 5.03 -1.98 -3.09 116.97 123.11 3fwp h TYR 2172Ca -0.34 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 60.80 3fwp h TYR 2172Cb 1.25 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.52 3fwp h TYR 2172CO 1.14 -0.00 -1.27 0.66 -1.32 0.00 0.00 178.16 177.37 3fwp h SER 2173N 0.19 0.00 -0.11 -2.11 4.64 -1.97 -3.47 113.55 110.72 3fwp h SER 2173Ca 0.19 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3fwp h SER 2173Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3fwp h SER 2173CO -0.27 0.75 -0.04 0.61 -0.87 0.00 0.00 176.83 177.01 3fwp n GLY 2174N 1.40 0.37 3.64 -0.77 0.00 -1.17 -4.99 105.19 103.67 3fwp n GLY 2174Ca -0.08 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3fwp n GLY 2174CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fwp s ARG 2175N -1.65 2.76 -0.10 1.61 3.52 -1.26 -4.91 118.95 118.92 3fwp s ARG 2175Ca 0.00 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 3fwp s ARG 2175Cb 0.00 -2.63 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 3fwp s ARG 2175CO 0.00 0.65 -0.16 0.08 -0.81 0.00 0.00 175.30 175.06 3fwp s VAL 2176N -0.96 1.49 0.55 7.11 1.01 -1.26 -4.92 120.40 123.43 3fwp s VAL 2176Ca 0.16 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.28 3fwp s VAL 2176Cb -0.11 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 3fwp s VAL 2176CO 0.06 0.44 0.96 0.55 0.00 0.00 0.00 175.10 177.11 3fwp n VAL 2177N 4.03 3.25 -0.33 2.92 3.14 -1.26 -4.53 118.33 125.55 3fwp n VAL 2177Ca -0.20 -0.50 0.06 0.00 -2.96 0.00 0.00 64.34 60.74 3fwp n VAL 2177Cb 0.52 -1.15 0.15 0.00 -1.06 0.00 0.00 33.84 32.30 3fwp n VAL 2177CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3fwp h ARG 2178N 0.80 0.01 -0.97 1.45 2.43 -2.00 0.26 114.38 116.36 3fwp h ARG 2178Ca -0.47 -0.00 0.27 0.00 -0.81 0.00 0.00 59.98 58.97 3fwp h ARG 2178Cb 1.36 -0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.77 3fwp h ARG 2178CO 0.52 0.00 0.50 -0.09 -1.51 0.00 0.00 179.97 179.40 3fwp h ARG 2179N 0.01 0.37 -0.01 0.20 2.43 -2.02 -2.43 114.38 112.93 3fwp h ARG 2179Ca 0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3fwp h ARG 2179Cb 0.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3fwp h ARG 2179CO -0.93 0.25 -0.63 1.19 -1.51 0.00 0.00 179.97 178.33 3fwp n PHE 2180N -5.04 0.00 -1.68 2.20 3.01 0.01 -4.77 117.46 111.19 3fwp n PHE 2180Ca 0.27 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.31 3fwp n PHE 2180Cb 0.83 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.27 3fwp n PHE 2180CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3fwp s LYS 2181N -2.50 4.14 0.00 -1.08 1.02 -0.77 -1.84 119.74 118.72 3fwp s LYS 2181Ca 0.12 2.61 0.00 0.00 0.02 0.00 0.00 55.97 58.73 3fwp s LYS 2181Cb 0.15 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 3fwp s LYS 2181CO 0.63 -0.92 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 3fwp n GLY 2182N 4.43 0.42 0.17 -3.33 0.00 -1.26 -4.93 105.19 100.69 3fwp n GLY 2182Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 3fwp n GLY 2182CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwp h SER 2183N 0.00 0.47 -0.37 1.61 4.64 -1.66 -3.06 113.55 115.17 3fwp h SER 2183Ca 0.00 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 3fwp h SER 2183Cb 0.23 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3fwp h SER 2183CO 0.00 1.06 0.19 -0.03 -0.87 0.00 0.00 176.83 177.18 3fwp h MET 2184N 0.26 0.52 -0.94 4.77 -1.53 -1.91 -0.63 114.93 115.47 3fwp h MET 2184Ca -0.04 -0.07 0.10 0.00 -3.44 0.00 0.00 59.70 56.26 3fwp h MET 2184Cb 1.34 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 32.22 3fwp h MET 2184CO 0.13 0.45 0.60 1.49 0.14 0.00 0.00 176.91 179.72 3fwp h GLU 2185N 0.46 0.93 -0.34 0.39 4.22 -1.97 -0.48 114.58 117.79 3fwp h GLU 2185Ca 0.13 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 3fwp h GLU 2185Cb 0.09 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3fwp h GLU 2185CO -0.02 0.61 -0.00 0.93 -2.18 0.00 0.00 179.01 178.35 3fwp h GLU 2186N 0.95 0.59 -0.61 1.92 5.08 -1.24 -1.58 114.58 119.70 3fwp h GLU 2186Ca 0.44 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3fwp h GLU 2186Cb 0.41 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3fwp h GLU 2186CO -0.20 0.72 -0.00 -1.49 -1.00 0.00 0.00 179.01 177.04 3fwp h TRP 2187N 0.40 1.18 -0.27 4.33 -0.00 -0.80 -2.05 115.95 118.74 3fwp h TRP 2187Ca 0.09 -0.20 0.02 0.00 -0.00 0.00 0.00 58.89 58.80 3fwp h TRP 2187Cb 0.46 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 3fwp h TRP 2187CO 0.04 1.04 0.12 1.96 -0.00 0.00 0.00 178.44 181.59 3fwp h GLN 2188N 0.99 0.25 0.00 0.49 4.20 -1.00 -0.73 115.11 119.30 3fwp h GLN 2188Ca 0.17 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3fwp h GLN 2188Cb 0.56 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3fwp h GLN 2188CO 0.03 0.16 -0.21 0.00 -0.67 0.00 0.00 178.83 178.14 3fwp h ALA 2189N 1.15 1.53 -0.05 3.87 0.00 -1.19 -1.84 119.26 122.73 3fwp h ALA 2189Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fwp h ALA 2189Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fwp h ALA 2189CO -0.09 0.27 0.00 -1.33 0.00 0.00 0.00 179.25 178.09 3fwp n MET 2190N -4.11 1.32 -0.78 0.00 2.81 -0.78 -4.92 117.12 110.66 3fwp n MET 2190Ca -0.02 -0.47 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 3fwp n MET 2190Cb 0.28 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3fwp n MET 2190CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fwp n GLY 2191N 0.99 0.59 3.74 3.03 0.00 -0.69 -5.02 105.19 107.82 3fwp n GLY 2191Ca 0.17 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fwp n GLY 2191CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwp s VAL 2192N -2.00 2.36 0.04 1.61 1.01 -0.33 -4.57 120.40 118.51 3fwp s VAL 2192Ca 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 3fwp s VAL 2192Cb 0.00 -3.18 -0.35 0.00 0.00 0.00 0.00 36.38 32.85 3fwp s VAL 2192CO 0.00 0.04 1.02 0.24 0.00 0.00 0.00 175.10 176.40 3fwp h MET 2193N 5.48 0.56 -2.25 2.72 0.00 -0.90 -3.42 114.93 117.13 3fwp h MET 2193Ca -0.45 -0.92 0.18 0.00 0.00 0.00 0.00 59.70 58.51 3fwp h MET 2193Cb 1.21 0.33 -0.10 0.00 0.00 0.00 0.00 31.60 33.05 3fwp h MET 2193CO 0.83 1.44 0.52 0.54 0.00 0.00 0.00 176.91 180.23 3fwp s ASN 2194N -7.56 -0.20 -0.05 1.22 4.22 -1.26 -1.00 114.94 110.31 3fwp s ASN 2194Ca -0.09 -0.31 -0.00 0.00 -2.14 0.00 0.00 52.86 50.31 3fwp s ASN 2194Cb 0.04 0.44 -0.03 0.00 1.28 0.00 0.00 41.25 42.98 3fwp s ASN 2194CO 0.95 -0.80 0.00 -0.31 -2.04 0.00 0.00 177.10 174.89 3fwp s TYR 2195N -3.18 3.12 0.00 1.54 2.02 -1.26 -0.47 117.35 119.11 3fwp s TYR 2195Ca 0.11 0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 3fwp s TYR 2195Cb -0.01 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3fwp s TYR 2195CO -0.00 0.46 0.00 -0.85 -1.57 0.00 0.00 175.55 173.59 3fwp n GLU 2196N 1.79 0.00 0.00 -0.62 -0.00 -0.72 -4.45 120.64 116.64 3fwp n GLU 2196Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.99 3fwp n GLU 2196Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 3fwp n GLU 2196CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3fwp n MET 2197N 0.00 0.62 0.00 3.44 2.81 -1.26 -0.86 117.12 121.86 3fwp n MET 2197Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 3fwp n MET 2197Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 3fwp n MET 2197CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3fwp n GLU 2198N -0.13 2.95 -0.15 0.03 4.71 -1.26 -3.24 120.64 123.55 3fwp n GLU 2198Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 3fwp n GLU 2198Cb 0.28 -0.75 0.02 0.00 -1.01 0.00 0.00 31.44 29.99 3fwp n GLU 2198CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3fwp h SER 2199N 0.00 0.98 -0.36 1.62 4.64 -1.94 -1.37 113.55 117.12 3fwp h SER 2199Ca 0.00 -0.36 0.06 0.00 -0.47 0.00 0.00 61.79 61.01 3fwp h SER 2199Cb 0.04 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.81 3fwp h SER 2199CO 0.00 1.14 0.06 0.00 -0.87 0.00 0.00 176.83 177.16 3fwp h ALA 2200N 0.93 0.37 0.38 5.18 0.00 -1.87 0.39 119.26 124.64 3fwp h ALA 2200Ca 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3fwp h ALA 2200Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3fwp h ALA 2200CO 0.06 -0.35 -0.18 1.15 0.00 0.00 0.00 179.25 179.93 3fwp h THR 2201N 0.17 0.63 0.15 0.00 2.02 -1.89 -1.86 112.91 112.12 3fwp h THR 2201Ca 0.17 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3fwp h THR 2201Cb 0.21 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3fwp h THR 2201CO -0.24 0.04 -0.32 0.25 0.37 0.00 0.00 175.52 175.62 3fwp h LEU 2202N -0.62 -0.91 -0.61 2.58 5.85 -0.86 -1.37 115.31 119.38 3fwp h LEU 2202Ca -0.05 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3fwp h LEU 2202Cb 0.45 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3fwp h LEU 2202CO 0.09 -0.41 0.09 -0.07 -0.34 0.00 0.00 178.44 177.79 3fwp h LEU 2203N -0.56 0.97 -0.04 2.25 3.38 -0.29 -2.26 115.31 118.76 3fwp h LEU 2203Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3fwp h LEU 2203Cb 0.58 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fwp h LEU 2203CO -0.17 0.99 -0.01 0.74 0.09 0.00 0.00 178.44 180.08 3fwp h THR 2204N 0.92 1.30 -0.11 0.22 2.02 -1.30 -0.96 112.91 115.00 3fwp h THR 2204Ca 0.18 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 3fwp h THR 2204Cb 0.44 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3fwp h THR 2204CO 0.01 0.25 -0.06 0.00 0.37 0.00 0.00 175.52 176.09 3fwp h MET 2205N -0.28 0.16 0.08 6.66 -0.00 -1.21 -2.01 114.93 118.33 3fwp h MET 2205Ca 0.01 -0.02 -0.11 0.00 -0.00 0.00 0.00 59.70 59.57 3fwp h MET 2205Cb 0.40 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 31.98 3fwp h MET 2205CO 0.00 0.24 -0.52 0.00 -0.00 0.00 0.00 176.91 176.63 3fwp h ALA 2207N 0.02 1.50 -0.35 0.00 0.00 -1.05 -0.95 119.26 118.42 3fwp h ALA 2207Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3fwp h ALA 2207Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3fwp h ALA 2207CO 0.07 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 3fwp n SER 2208N -3.89 3.13 -0.35 0.00 3.41 -0.77 -4.35 113.62 110.80 3fwp n SER 2208Ca -0.02 -1.95 0.02 0.00 -0.26 0.00 0.00 58.87 56.66 3fwp n SER 2208Cb 0.16 -0.23 0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3fwp n SER 2208CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwp n GLN 2209N 1.28 0.38 -1.63 4.33 6.02 -0.78 -5.01 117.38 121.97 3fwp n GLN 2209Ca 0.19 -1.36 -0.12 0.00 -0.01 0.00 0.00 57.00 55.69 3fwp n GLN 2209Cb 0.56 -0.76 -0.04 0.00 1.02 0.00 0.00 30.24 31.02 3fwp n GLN 2209CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fwp n GLY 2210N -0.36 0.87 3.78 1.08 0.00 -1.06 -5.02 105.19 104.49 3fwp n GLY 2210Ca 0.04 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3fwp n GLY 2210CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fwp s LEU 2211N -3.04 3.85 -0.17 0.99 1.43 -0.43 -5.05 118.68 116.25 3fwp s LEU 2211Ca 0.00 0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 53.03 3fwp s LEU 2211Cb 0.00 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3fwp s LEU 2211CO 0.00 0.23 0.32 -0.13 0.23 0.00 0.00 176.35 177.00 3fwp s ARG 2212N -2.02 4.23 0.03 1.70 0.52 -0.15 -3.86 118.95 119.41 3fwp s ARG 2212Ca 0.26 0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 3fwp s ARG 2212Cb -0.12 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 3fwp s ARG 2212CO 0.18 0.15 -0.11 0.00 0.02 0.00 0.00 175.30 175.54 3fwp s ALA 2213N 0.72 0.90 0.15 2.13 0.00 -1.26 0.21 121.76 124.62 3fwp s ALA 2213Ca 0.17 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 3fwp s ALA 2213Cb -0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3fwp s ALA 2213CO 0.05 0.14 0.16 0.20 0.00 0.00 0.00 175.76 176.31 3fwp s GLY 2214N -1.11 0.82 -0.09 0.00 0.00 -0.47 -0.22 107.32 106.26 3fwp s GLY 2214Ca -0.01 -1.26 -0.06 0.00 0.00 0.00 0.00 44.72 43.38 3fwp s GLY 2214CO 0.01 -1.16 0.23 -0.29 0.00 0.00 0.00 173.10 171.89 3fwp s MET 2215N -4.03 0.23 0.04 2.90 1.75 -1.26 -1.13 119.30 117.80 3fwp s MET 2215Ca 0.23 0.40 0.05 0.00 -1.25 0.00 0.00 55.69 55.12 3fwp s MET 2215Cb 0.06 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.72 3fwp s MET 2215CO 0.02 -0.09 -0.14 0.54 -0.65 0.00 0.00 175.02 174.70 3fwp s VAL 2216N 0.63 1.12 -0.07 10.11 0.11 -0.63 -2.11 120.40 129.55 3fwp s VAL 2216Ca -0.04 -0.99 -0.12 0.00 -2.93 0.00 0.00 61.98 57.90 3fwp s VAL 2216Cb -0.06 -1.01 0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3fwp s VAL 2216CO -0.04 0.02 0.29 0.00 -3.33 0.00 0.00 175.10 172.04 3fwp s ALA 2217N -0.83 -0.72 -0.06 1.54 0.00 0.02 -1.80 121.76 119.90 3fwp s ALA 2217Ca 0.02 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 3fwp s ALA 2217Cb -0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 3fwp s ALA 2217CO 0.01 -0.18 0.40 0.20 0.00 0.00 0.00 175.76 176.19 3fwp s GLY 2218N -0.43 2.40 -0.33 0.00 0.00 -0.77 0.52 107.32 108.72 3fwp s GLY 2218Ca -0.05 -0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.13 3fwp s GLY 2218CO 0.02 0.36 1.03 0.14 0.00 0.00 0.00 173.10 174.65 3fwp s VAL 2219N -0.34 4.54 -0.03 1.40 1.01 0.51 -0.10 120.40 127.38 3fwp s VAL 2219Ca 0.23 1.59 0.14 0.00 0.00 0.00 0.00 61.98 63.94 3fwp s VAL 2219Cb -0.16 -4.39 -0.22 0.00 0.00 0.00 0.00 36.38 31.62 3fwp s VAL 2219CO 0.11 -0.49 0.29 2.30 0.00 0.00 0.00 175.10 177.31 3fwp n ILE 2220N 5.89 0.10 -3.64 2.22 -5.35 -0.02 -0.39 119.36 118.18 3fwp n ILE 2220Ca 0.10 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 62.12 3fwp n ILE 2220Cb 0.47 0.08 -0.05 0.00 -1.74 0.00 0.00 39.64 38.40 3fwp n ILE 2220CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3fwp s VAL 2221N -2.93 0.07 -0.20 7.28 0.11 -1.23 -4.80 120.40 118.69 3fwp s VAL 2221Ca -0.05 -0.54 -0.04 0.00 -2.93 0.00 0.00 61.98 58.41 3fwp s VAL 2221Cb 0.09 -1.12 0.09 0.00 -1.53 0.00 0.00 36.38 33.90 3fwp s VAL 2221CO 0.59 -0.30 0.19 0.21 -3.33 0.00 0.00 175.10 172.46 3fwp s ASN 2222N -2.64 1.72 0.39 3.54 3.84 -1.26 -2.14 114.94 118.39 3fwp s ASN 2222Ca 0.01 -0.39 0.10 0.00 0.21 0.00 0.00 52.86 52.80 3fwp s ASN 2222Cb 0.01 0.20 0.81 0.00 -0.55 0.00 0.00 41.25 41.72 3fwp s ASN 2222CO -0.10 -0.34 1.92 0.08 -2.79 0.00 0.00 177.10 175.87 3fwp h ARG 2223N 8.34 0.19 -0.18 0.43 0.11 -1.97 -2.43 114.38 118.86 3fwp h ARG 2223Ca -0.16 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.77 3fwp h ARG 2223Cb 1.14 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 3fwp h ARG 2223CO 0.29 0.35 -0.33 1.79 0.10 0.00 0.00 179.97 182.17 3fwp h THR 2224N 0.18 1.28 0.00 0.08 1.35 -1.90 -3.53 112.91 110.38 3fwp h THR 2224Ca 0.04 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3fwp h THR 2224Cb 0.39 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3fwp h THR 2224CO 0.02 0.43 0.00 0.00 -0.25 0.00 0.00 175.52 175.72 3fwp n GLN 2225N -4.08 0.00 0.00 4.72 6.02 -0.92 -5.04 117.38 118.08 3fwp n GLN 2225Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3fwp n GLN 2225Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 3fwp n GLN 2225CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 3fwp n MET 2234N 0.00 0.00 0.09 -1.09 0.00 -1.26 -4.91 117.12 109.94 3fwp n MET 2234Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 3fwp n MET 2234Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.13 3fwp n MET 2234CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3fwp h LYS 2235N 0.00 0.39 -0.38 0.03 3.64 -1.99 -2.06 116.57 116.19 3fwp h LYS 2235Ca 0.00 -0.51 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 3fwp h LYS 2235Cb 0.00 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3fwp h LYS 2235CO 0.00 1.19 -0.32 1.96 -2.27 0.00 0.00 179.45 180.01 3fwp h GLN 2236N 0.18 0.85 -0.17 1.90 7.50 -2.01 -2.88 115.11 120.48 3fwp h GLN 2236Ca -0.12 -0.41 -0.22 0.00 0.50 0.00 0.00 58.65 58.41 3fwp h GLN 2236Cb 1.78 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 29.31 3fwp h GLN 2236CO 0.19 1.05 -0.74 1.15 -1.50 0.00 0.00 178.83 178.98 3fwp h THR 2237N 0.72 1.28 -0.04 -0.54 2.02 -1.90 -3.01 112.91 111.43 3fwp h THR 2237Ca 0.08 -1.93 0.02 0.00 0.77 0.00 0.00 66.41 65.34 3fwp h THR 2237Cb 0.88 1.94 -0.05 0.00 -1.74 0.00 0.00 68.15 69.18 3fwp h THR 2237CO 0.08 0.62 -0.43 -0.08 0.37 0.00 0.00 175.52 176.08 3fwp h GLU 2238N 0.55 -0.49 -0.98 6.66 4.57 -1.35 -1.82 114.58 121.72 3fwp h GLU 2238Ca -0.04 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 3fwp h GLU 2238Cb 1.37 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 30.00 3fwp h GLU 2238CO 0.15 -0.33 0.63 0.77 -1.18 0.00 0.00 179.01 179.05 3fwp h SER 2239N -0.51 0.94 -0.02 1.04 0.02 -1.60 -1.73 113.55 111.69 3fwp h SER 2239Ca 0.01 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3fwp h SER 2239Cb 0.56 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3fwp h SER 2239CO -0.31 0.55 -0.19 0.45 -1.14 0.00 0.00 176.83 176.19 3fwp h HIS 2240N 1.03 -0.49 -0.80 3.45 3.86 -1.34 -1.13 115.15 119.73 3fwp h HIS 2240Ca 0.46 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.65 3fwp h HIS 2240Cb 0.36 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 3fwp h HIS 2240CO -0.00 -0.27 0.35 0.00 0.86 0.00 0.00 177.93 178.87 3fwp h ALA 2241N 0.63 1.11 -0.46 2.45 0.00 -0.67 -2.34 119.26 119.98 3fwp h ALA 2241Ca 0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3fwp h ALA 2241Cb 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fwp h ALA 2241CO -0.19 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 179.93 3fwp h VAL 2242N 1.14 1.27 -0.57 0.00 2.07 -1.10 -1.60 116.25 117.46 3fwp h VAL 2242Ca 0.27 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3fwp h VAL 2242Cb 0.17 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3fwp h VAL 2242CO -0.03 0.40 0.36 0.11 0.02 0.00 0.00 177.57 178.42 3fwp h LYS 2243N 0.69 0.77 0.00 1.57 1.57 -1.08 -2.01 116.57 118.09 3fwp h LYS 2243Ca 0.12 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3fwp h LYS 2243Cb 0.59 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3fwp h LYS 2243CO 0.04 0.54 -0.11 0.82 -0.57 0.00 0.00 179.45 180.17 3fwp h ILE 2244N 0.77 0.72 -0.46 1.86 2.04 -1.20 0.99 117.51 122.23 3fwp h ILE 2244Ca 0.21 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.00 3fwp h ILE 2244Cb -0.04 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3fwp h ILE 2244CO -0.04 0.00 -0.00 1.62 0.00 0.00 0.00 178.15 179.73 3fwp h VAL 2245N -0.19 1.24 -0.22 1.67 3.04 -1.16 0.31 116.25 120.94 3fwp h VAL 2245Ca 0.04 -0.97 -0.09 0.00 -1.01 0.00 0.00 66.70 64.67 3fwp h VAL 2245Cb 0.24 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3fwp h VAL 2245CO -0.11 0.34 -0.20 0.58 -1.01 0.00 0.00 177.57 177.17 3fwp h VAL 2246N 0.70 1.32 -0.78 1.51 2.07 -1.24 -1.63 116.25 118.21 3fwp h VAL 2246Ca 0.14 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.26 3fwp h VAL 2246Cb 0.43 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3fwp h VAL 2246CO 0.02 0.42 0.33 -0.08 0.02 0.00 0.00 177.57 178.27 3fwp h GLU 2247N 0.21 1.16 -0.73 1.57 4.57 -0.45 -2.56 114.58 118.35 3fwp h GLU 2247Ca 0.04 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 3fwp h GLU 2247Cb 0.75 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 3fwp h GLU 2247CO 0.05 0.93 0.33 0.00 -1.18 0.00 0.00 179.01 179.14 3fwp h ALA 2248N 1.17 0.94 -0.86 2.92 0.00 -0.39 -3.00 119.26 120.04 3fwp h ALA 2248Ca 0.26 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3fwp h ALA 2248Cb 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3fwp h ALA 2248CO -0.02 0.53 0.56 0.00 0.00 0.00 0.00 179.25 180.32 3fwp h ALA 2249N 1.16 1.59 -0.60 0.00 0.00 -0.89 -1.98 119.26 118.54 3fwp h ALA 2249Ca 0.25 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3fwp h ALA 2249Cb 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3fwp h ALA 2249CO -0.03 0.27 0.32 0.00 0.00 0.00 0.00 179.25 179.82 3fwp h ARG 2250N 0.93 0.59 0.00 0.00 3.08 -1.35 -1.89 114.38 115.75 3fwp h ARG 2250Ca 0.38 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3fwp h ARG 2250Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3fwp h ARG 2250CO -0.14 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 179.15 3fwp h ARG 2251N 0.61 0.00 -0.22 0.04 3.08 -1.39 -3.13 114.38 113.37 3fwp h ARG 2251Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3fwp h ARG 2251Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3fwp h ARG 2251CO -0.16 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.02 3fwp n LEU 2252N -2.60 2.67 -0.22 3.04 4.77 -0.73 -5.08 117.00 118.85 3fwp n LEU 2252Ca 0.00 -1.48 0.15 0.00 -0.03 0.00 0.00 56.01 54.65 3fwp n LEU 2252Cb 0.20 -0.14 0.76 0.00 -2.33 0.00 0.00 43.42 41.91 3fwp n LEU 2252CO 0.20 0.59 1.00 0.18 -1.33 0.00 0.00 177.39 178.04