#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlx n THR 2005N 0.00 1.02 -0.08 0.00 -1.04 -1.26 -2.17 114.28 110.75 1nlx n THR 2005Ca 0.00 0.27 -0.13 0.00 -2.04 0.00 0.00 64.05 62.15 1nlx n THR 2005Cb 0.00 -1.09 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 1nlx n THR 2005CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1nlx h THR 2006N 0.00 1.31 -0.80 12.58 2.02 -2.00 -2.68 112.91 123.34 1nlx h THR 2006Ca 0.00 -1.45 0.06 0.00 0.77 0.00 0.00 66.41 65.79 1nlx h THR 2006Cb 0.26 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 1nlx h THR 2006CO 0.00 0.46 0.48 -0.08 0.37 0.00 0.00 175.52 176.75 1nlx h GLU 2007N 0.33 0.85 -0.14 6.66 4.57 -1.80 -0.65 114.58 124.41 1nlx h GLU 2007Ca 0.04 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1nlx h GLU 2007Cb 0.84 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1nlx h GLU 2007CO 0.07 0.56 0.07 1.49 -1.18 0.00 0.00 179.01 180.02 1nlx h GLU 2008N 0.87 0.19 0.07 1.92 4.81 -1.63 -1.04 114.58 119.78 1nlx h GLU 2008Ca 0.35 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1nlx h GLU 2008Cb 0.19 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1nlx h GLU 2008CO -0.18 0.21 -0.22 1.96 -0.73 0.00 0.00 179.01 180.05 1nlx h GLN 2009N 0.12 -0.37 -0.71 1.92 4.20 -1.04 -1.40 115.11 117.84 1nlx h GLN 2009Ca 0.05 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.88 1nlx h GLN 2009Cb 0.08 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1nlx h GLN 2009CO -0.01 -0.25 0.34 -0.22 -0.67 0.00 0.00 178.83 178.03 1nlx h LYS 2010N -0.38 0.56 -0.71 1.46 3.64 -0.99 -1.03 116.57 119.12 1nlx h LYS 2010Ca 0.04 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1nlx h LYS 2010Cb 0.43 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1nlx h LYS 2010CO -0.15 0.37 0.33 -0.07 -2.27 0.00 0.00 179.45 177.65 1nlx h LEU 2011N 0.58 0.93 -0.92 5.20 3.38 -0.71 -0.91 115.31 122.85 1nlx h LEU 2011Ca 0.35 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1nlx h LEU 2011Cb 0.39 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1nlx h LEU 2011CO -0.28 0.80 0.35 0.40 0.09 0.00 0.00 178.44 179.80 1nlx h ILE 2012N 1.01 1.25 -0.24 1.22 1.08 -0.13 0.19 117.51 121.89 1nlx h ILE 2012Ca 0.24 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1nlx h ILE 2012Cb 0.13 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.13 1nlx h ILE 2012CO -0.03 0.31 0.16 -0.33 -0.69 0.00 0.00 178.15 177.56 1nlx h GLU 2013N 1.12 0.32 -0.13 2.37 4.39 -0.32 -0.79 114.58 121.53 1nlx h GLU 2013Ca 0.27 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.96 1nlx h GLU 2013Cb 0.15 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1nlx h GLU 2013CO -0.03 0.22 0.04 -0.44 -1.16 0.00 0.00 179.01 177.64 1nlx h ASP 2014N 0.32 0.03 -0.24 1.42 3.32 -0.66 -0.03 116.42 120.58 1nlx h ASP 2014Ca 0.09 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1nlx h ASP 2014Cb -0.03 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1nlx h ASP 2014CO -0.02 0.04 -0.09 0.58 -1.72 0.00 0.00 179.24 178.03 1nlx h VAL 2015N 0.10 0.68 -0.95 -1.35 2.07 -0.69 0.60 116.25 116.71 1nlx h VAL 2015Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1nlx h VAL 2015Cb 0.04 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1nlx h VAL 2015CO -0.07 0.00 0.62 -1.13 0.02 0.00 0.00 177.57 177.02 1nlx h ASN 2016N -0.05 1.06 -0.11 0.57 -1.24 -0.82 -0.00 115.58 114.98 1nlx h ASN 2016Ca 0.12 -0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.13 1nlx h ASN 2016Cb 0.24 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1nlx h ASN 2016CO -0.28 0.74 0.01 0.00 -1.29 0.00 0.00 177.43 176.61 1nlx h ALA 2017N 1.37 0.10 -0.71 1.57 0.00 0.15 0.24 119.26 121.97 1nlx h ALA 2017Ca 0.36 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1nlx h ALA 2017Cb -0.07 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nlx h ALA 2017CO -0.10 -0.45 0.46 0.77 0.00 0.00 0.00 179.25 179.92 1nlx h SER 2018N 0.05 0.77 0.60 0.00 0.02 -0.33 0.38 113.55 115.03 1nlx h SER 2018Ca 0.05 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1nlx h SER 2018Cb 0.05 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1nlx h SER 2018CO -0.08 0.54 -0.31 0.15 -1.14 0.00 0.00 176.83 175.99 1nlx h PHE 2019N 0.91 -0.81 -0.72 3.45 3.57 -0.52 -0.90 116.94 121.92 1nlx h PHE 2019Ca 0.27 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1nlx h PHE 2019Cb -0.03 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1nlx h PHE 2019CO -0.03 -0.49 0.48 -0.09 -2.23 0.00 0.00 178.31 175.94 1nlx h ARG 2020N -0.83 0.90 -0.20 1.11 9.65 -0.32 -0.57 114.38 124.11 1nlx h ARG 2020Ca -0.08 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.71 1nlx h ARG 2020Cb 0.65 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1nlx h ARG 2020CO 0.12 0.59 -0.01 0.00 2.80 0.00 0.00 179.97 183.47 1nlx h ALA 2021N 1.57 0.26 -0.82 2.80 0.00 -0.72 -1.93 119.26 120.42 1nlx h ALA 2021Ca 0.28 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nlx h ALA 2021Cb -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1nlx h ALA 2021CO -0.07 -0.01 0.54 0.00 0.00 0.00 0.00 179.25 179.71 1nlx h ALA 2022N 0.78 1.06 -0.78 0.00 0.00 -0.63 -1.00 119.26 118.68 1nlx h ALA 2022Ca 0.05 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1nlx h ALA 2022Cb 0.41 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1nlx h ALA 2022CO 0.01 0.42 0.43 0.52 0.00 0.00 0.00 179.25 180.63 1nlx h MET 2023N 1.09 0.70 -0.85 0.00 2.07 -0.89 -0.74 114.93 116.31 1nlx h MET 2023Ca 0.31 -0.04 0.08 0.00 -2.07 0.00 0.00 59.70 57.98 1nlx h MET 2023Cb -0.08 -0.16 -0.06 0.00 -1.87 0.00 0.00 31.60 29.43 1nlx h MET 2023CO -0.08 0.46 0.55 0.00 1.07 0.00 0.00 176.91 178.91 1nlx h ALA 2024N 1.44 1.64 -0.13 6.32 0.00 -0.39 0.22 119.26 128.36 1nlx h ALA 2024Ca 0.38 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1nlx h ALA 2024Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1nlx h ALA 2024CO -0.25 0.20 0.26 1.15 0.00 0.00 0.00 179.25 180.61 1nlx h THR 2025N 0.87 0.23 0.00 0.00 2.02 -0.70 -1.34 112.91 113.99 1nlx h THR 2025Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 1nlx h THR 2025Cb 0.34 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1nlx h THR 2025CO -0.15 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.32 1nlx h THR 2026N 0.00 0.00 -0.93 3.16 1.03 -0.96 -3.41 112.91 111.80 1nlx h THR 2026Ca 0.06 -0.75 0.22 0.00 -0.01 0.00 0.00 66.41 65.94 1nlx h THR 2026Cb 0.58 1.51 -0.17 0.00 -1.07 0.00 0.00 68.15 69.00 1nlx h THR 2026CO -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 175.52 175.42 1nlx h ALA 2027N 2.25 0.87 -0.59 0.00 0.00 -1.31 -2.19 119.26 118.30 1nlx h ALA 2027Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1nlx h ALA 2027Cb 0.87 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1nlx h ALA 2027CO 0.00 -0.47 0.00 0.09 0.00 0.00 0.00 179.25 178.87 1nlx n ASN 2028N -5.51 5.31 -4.66 0.00 5.03 -1.26 -4.92 115.26 109.24 1nlx n ASN 2028Ca 0.18 -2.76 -0.35 0.00 0.87 0.00 0.00 54.58 52.52 1nlx n ASN 2028Cb 0.59 -0.64 -0.10 0.00 -1.02 0.00 0.00 39.78 38.61 1nlx n ASN 2028CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1nlx s VAL 2029N -2.44 4.19 0.78 2.41 -7.23 -0.82 -5.10 120.40 112.17 1nlx s VAL 2029Ca 0.53 -0.29 -0.12 0.00 -1.81 0.00 0.00 61.98 60.29 1nlx s VAL 2029Cb 0.38 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.63 1nlx s VAL 2029CO 0.19 0.60 1.10 -2.16 -0.31 0.00 0.00 175.10 174.52 1nlx s PRO 2030N -0.83 2.27 0.13 4.82 0.04 -1.26 -4.72 135.00 135.45 1nlx s PRO 2030Ca 0.13 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.52 1nlx s PRO 2030Cb -0.11 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1nlx s PRO 2030CO 0.02 -1.47 1.13 -2.30 0.04 0.00 0.00 177.00 174.42 1nlx n PRO 2031N -3.32 -0.28 -0.25 0.56 -0.02 -1.26 -2.05 135.00 128.38 1nlx n PRO 2031Ca 0.07 1.11 0.32 0.00 -2.02 0.00 0.00 63.50 62.98 1nlx n PRO 2031Cb 0.57 -1.64 0.74 0.00 -0.02 0.00 0.00 33.50 33.15 1nlx n PRO 2031CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nlx h ALA 2032N 0.54 2.98 0.00 3.55 0.00 -1.95 -2.27 119.26 122.11 1nlx h ALA 2032Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nlx h ALA 2032Cb 0.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nlx h ALA 2032CO -0.70 -1.28 -1.45 -0.25 0.00 0.00 0.00 179.25 175.57 1nlx n ASP 2033N -4.21 1.23 -0.21 0.00 10.43 -0.87 -4.73 116.55 118.19 1nlx n ASP 2033Ca 0.22 -0.23 -0.01 0.00 2.57 0.00 0.00 54.79 57.34 1nlx n ASP 2033Cb 1.10 1.53 0.06 0.00 1.84 0.00 0.00 41.12 45.65 1nlx n ASP 2033CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1nlx h LYS 2034N 0.00 -0.01 -0.01 -1.24 1.57 -1.08 -1.29 116.57 114.51 1nlx h LYS 2034Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nlx h LYS 2034Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nlx h LYS 2034CO 0.00 -0.01 0.00 -0.92 -0.57 0.00 0.00 179.45 177.96 1nlx h TYR 2035N -0.01 0.01 -0.87 -1.35 3.20 -1.85 -2.09 116.97 114.02 1nlx h TYR 2035Ca 0.30 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1nlx h TYR 2035Cb 0.46 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 1nlx h TYR 2035CO -0.52 0.17 0.44 0.87 -1.64 0.00 0.00 178.16 177.48 1nlx h LYS 2036N -0.14 1.24 0.41 1.82 1.57 -1.84 0.14 116.57 119.76 1nlx h LYS 2036Ca 0.00 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1nlx h LYS 2036Cb 0.16 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1nlx h LYS 2036CO -0.00 0.94 -0.23 1.15 -0.57 0.00 0.00 179.45 180.74 1nlx h THR 2037N 1.23 0.52 -0.08 -0.16 2.02 -1.15 0.48 112.91 115.77 1nlx h THR 2037Ca 0.30 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.51 1nlx h THR 2037Cb 0.09 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1nlx h THR 2037CO -0.04 0.00 -0.10 0.15 0.37 0.00 0.00 175.52 175.90 1nlx h PHE 2038N -0.60 -0.25 -0.52 3.16 3.57 -1.17 -2.13 116.94 119.00 1nlx h PHE 2038Ca -0.05 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.56 1nlx h PHE 2038Cb 0.48 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 1nlx h PHE 2038CO -0.07 -0.15 0.04 1.49 -2.23 0.00 0.00 178.31 177.38 1nlx h GLU 2039N -0.13 0.15 -0.02 1.11 4.22 -0.53 0.62 114.58 120.01 1nlx h GLU 2039Ca 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1nlx h GLU 2039Cb 0.23 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nlx h GLU 2039CO -0.16 0.10 0.01 0.00 -2.18 0.00 0.00 179.01 176.78 1nlx h ALA 2040N 1.45 0.03 -0.79 2.92 0.00 -0.54 -0.68 119.26 121.64 1nlx h ALA 2040Ca 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1nlx h ALA 2040Cb 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1nlx h ALA 2040CO -0.40 -0.48 0.38 0.00 0.00 0.00 0.00 179.25 178.75 1nlx h ALA 2041N 1.00 1.02 -0.29 0.00 0.00 -0.86 -3.09 119.26 117.05 1nlx h ALA 2041Ca 0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1nlx h ALA 2041Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1nlx h ALA 2041CO -0.00 0.58 -0.46 0.35 0.00 0.00 0.00 179.25 179.72 1nlx h PHE 2042N 1.11 0.92 -0.81 0.00 3.57 -0.69 -3.16 116.94 117.88 1nlx h PHE 2042Ca 0.27 -0.29 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1nlx h PHE 2042Cb 0.12 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1nlx h PHE 2042CO 0.01 1.07 0.53 1.15 -2.23 0.00 0.00 178.31 178.84 1nlx h THR 2043N 0.60 1.06 0.13 4.41 2.02 -1.04 -0.12 112.91 119.98 1nlx h THR 2043Ca 0.04 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1nlx h THR 2043Cb 1.02 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1nlx h THR 2043CO 0.10 0.17 -0.06 0.58 0.37 0.00 0.00 175.52 176.67 1nlx h VAL 2044N 0.91 0.00 -0.53 3.16 2.07 -1.55 -3.16 116.25 117.15 1nlx h VAL 2044Ca 0.35 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.99 1nlx h VAL 2044Cb 0.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1nlx h VAL 2044CO -0.12 0.00 0.38 0.77 0.02 0.00 0.00 177.57 178.62 1nlx h SER 2045N -0.20 0.04 -0.25 0.57 4.64 -1.56 -2.54 113.55 114.24 1nlx h SER 2045Ca -0.02 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nlx h SER 2045Cb 0.14 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1nlx h SER 2045CO 0.03 0.02 0.14 0.28 -0.87 0.00 0.00 176.83 176.43 1nlx h SER 2046N 0.04 0.23 -0.77 4.97 0.02 -1.02 -2.63 113.55 114.39 1nlx h SER 2046Ca 0.25 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.30 1nlx h SER 2046Cb 0.95 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.37 1nlx h SER 2046CO -0.01 0.17 0.41 0.11 -1.14 0.00 0.00 176.83 176.37 1nlx h LYS 2047N 0.30 0.66 0.13 3.45 1.57 -1.42 0.14 116.57 121.40 1nlx h LYS 2047Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nlx h LYS 2047Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1nlx h LYS 2047CO -0.05 0.44 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.06 1nlx h ARG 2048N 0.68 -0.25 -0.43 3.15 2.43 -1.58 -0.59 114.38 117.79 1nlx h ARG 2048Ca 0.38 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.64 1nlx h ARG 2048Cb 0.39 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 1nlx h ARG 2048CO -0.27 -0.17 0.08 -0.91 -1.51 0.00 0.00 179.97 177.19 1nlx h ASN 2049N -0.26 -0.00 -0.95 -3.80 -0.26 -0.94 -0.75 115.58 108.62 1nlx h ASN 2049Ca -0.00 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1nlx h ASN 2049Cb 0.24 0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.56 1nlx h ASN 2049CO -0.02 0.03 0.57 0.25 -1.06 0.00 0.00 177.43 177.21 1nlx h LEU 2050N 0.21 1.13 -0.52 1.61 5.85 -0.46 -1.49 115.31 121.64 1nlx h LEU 2050Ca 0.21 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1nlx h LEU 2050Cb 0.26 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1nlx h LEU 2050CO -0.28 0.86 0.16 0.00 -0.34 0.00 0.00 178.44 178.84 1nlx h ALA 2051N 1.33 0.68 -0.96 1.25 0.00 -0.34 -0.88 119.26 120.34 1nlx h ALA 2051Ca 0.34 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1nlx h ALA 2051Cb -0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1nlx h ALA 2051CO -0.06 0.35 0.62 -0.44 0.00 0.00 0.00 179.25 179.72 1nlx h ASP 2052N 0.71 1.05 -0.29 0.00 5.19 -0.70 -2.09 116.42 120.29 1nlx h ASP 2052Ca 0.17 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1nlx h ASP 2052Cb 0.29 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1nlx h ASP 2052CO -0.00 0.73 0.11 0.00 -3.12 0.00 0.00 179.24 176.95 1nlx h ALA 2053N 1.39 0.38 -0.86 3.45 0.00 -0.79 0.11 119.26 122.94 1nlx h ALA 2053Ca 0.38 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.36 1nlx h ALA 2053Cb -0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1nlx h ALA 2053CO -0.11 -0.02 0.58 0.28 0.00 0.00 0.00 179.25 179.98 1nlx h VAL 2054N 0.32 0.67 0.00 0.00 2.07 -0.47 0.22 116.25 119.05 1nlx h VAL 2054Ca 0.10 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 1nlx h VAL 2054Cb 0.19 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1nlx h VAL 2054CO -0.01 0.06 -2.04 -1.54 0.02 0.00 0.00 177.57 174.06 1nlx n SER 2055N -4.45 0.62 -0.09 0.57 3.41 -1.06 -4.30 113.62 108.31 1nlx n SER 2055Ca 0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1nlx n SER 2055Cb 0.72 1.43 -0.15 0.00 -0.26 0.00 0.00 64.21 65.95 1nlx n SER 2055CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nlx n LYS 2056N -2.40 0.68 -2.89 4.33 4.76 0.36 -4.82 118.16 118.18 1nlx n LYS 2056Ca -0.16 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.24 1nlx n LYS 2056Cb 0.77 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1nlx n LYS 2056CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nlx n ALA 2057N -2.80 -0.51 -0.34 7.82 0.00 0.70 -4.87 120.51 120.52 1nlx n ALA 2057Ca -0.32 -1.78 0.14 0.00 0.00 0.00 0.00 53.44 51.48 1nlx n ALA 2057Cb 1.12 -1.24 0.36 0.00 0.00 0.00 0.00 19.45 19.68 1nlx n ALA 2057CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nlx h PRO 2058N 4.47 0.68 -0.10 0.00 0.13 -1.60 -0.78 132.00 134.80 1nlx h PRO 2058Ca -0.01 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1nlx h PRO 2058Cb 1.02 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1nlx h PRO 2058CO 0.26 0.45 0.11 -0.56 -0.23 0.00 0.00 178.00 178.03 1nlx h GLN 2059N 0.70 0.00 0.00 0.86 -0.00 -1.95 -0.34 115.11 114.39 1nlx h GLN 2059Ca 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.21 1nlx h GLN 2059Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.44 1nlx h GLN 2059CO -0.35 0.00 -0.02 1.25 -0.00 0.00 0.00 178.83 179.72 1nlx h LEU 2060N 0.00 0.00 0.54 0.06 5.85 -1.48 -3.37 115.31 116.92 1nlx h LEU 2060Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1nlx h LEU 2060Cb 0.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1nlx h LEU 2060CO -0.00 0.02 -0.45 0.58 -0.34 0.00 0.00 178.44 178.24 1nlx h VAL 2061N 0.00 0.10 -0.44 1.05 2.07 -1.13 0.15 116.25 118.04 1nlx h VAL 2061Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1nlx h VAL 2061Cb 0.88 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1nlx h VAL 2061CO 0.00 0.00 0.30 1.55 0.02 0.00 0.00 177.57 179.44 1nlx h PRO 2062N -0.98 0.33 -0.21 1.57 0.13 -1.74 0.95 132.00 132.05 1nlx h PRO 2062Ca -0.06 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1nlx h PRO 2062Cb 0.84 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1nlx h PRO 2062CO -0.01 0.22 -0.00 0.87 -0.23 0.00 0.00 178.00 178.84 1nlx h LYS 2063N 0.34 0.37 -0.95 0.86 1.57 -1.63 -1.42 116.57 115.70 1nlx h LYS 2063Ca 0.20 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1nlx h LYS 2063Cb 0.35 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1nlx h LYS 2063CO -0.04 0.57 0.63 1.25 -0.57 0.00 0.00 179.45 181.28 1nlx h LEU 2064N 0.14 1.06 -1.38 2.94 5.85 0.27 0.11 115.31 124.30 1nlx h LEU 2064Ca 0.06 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1nlx h LEU 2064Cb 0.40 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1nlx h LEU 2064CO 0.01 0.75 0.21 -0.78 -0.34 0.00 0.00 178.44 178.29 1nlx h ASP 2065N 1.24 0.57 -0.09 1.25 3.58 -0.62 -1.02 116.42 121.32 1nlx h ASP 2065Ca 0.37 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 1nlx h ASP 2065Cb -0.07 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.83 1nlx h ASP 2065CO -0.10 0.49 0.01 -0.08 -2.88 0.00 0.00 179.24 176.68 1nlx h GLU 2066N 0.63 0.16 -0.65 0.28 4.22 0.10 0.11 114.58 119.43 1nlx h GLU 2066Ca 0.16 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 1nlx h GLU 2066Cb 0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1nlx h GLU 2066CO -0.02 0.38 0.15 -0.39 -2.18 0.00 0.00 179.01 176.95 1nlx h VAL 2067N -0.09 1.25 -0.16 0.32 -1.51 -0.74 0.88 116.25 116.22 1nlx h VAL 2067Ca 0.03 -0.94 -0.01 0.00 -1.23 0.00 0.00 66.70 64.55 1nlx h VAL 2067Cb 0.30 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 1nlx h VAL 2067CO 0.00 0.36 0.06 1.88 -1.23 0.00 0.00 177.57 178.64 1nlx h TYR 2068N 0.99 0.24 -0.55 5.19 0.99 -1.13 -2.40 116.97 120.29 1nlx h TYR 2068Ca 0.21 -0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.99 1nlx h TYR 2068Cb 0.36 -0.07 -0.06 0.00 1.00 0.00 0.00 36.73 37.96 1nlx h TYR 2068CO 0.03 0.33 0.22 -0.91 -0.00 0.00 0.00 178.16 177.82 1nlx h ASN 2069N 0.09 0.25 -0.23 3.88 2.35 -0.20 0.11 115.58 121.83 1nlx h ASN 2069Ca 0.05 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1nlx h ASN 2069Cb 0.19 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1nlx h ASN 2069CO -0.00 0.16 -0.07 0.00 -1.65 0.00 0.00 177.43 175.87 1nlx h ALA 2070N 1.35 0.13 -0.19 -0.83 0.00 -0.67 0.56 119.26 119.61 1nlx h ALA 2070Ca 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1nlx h ALA 2070Cb 0.27 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nlx h ALA 2070CO -0.25 -0.49 0.02 0.00 0.00 0.00 0.00 179.25 178.54 1nlx h ALA 2071N 1.20 0.25 -0.62 0.00 0.00 -0.87 -1.37 119.26 117.85 1nlx h ALA 2071Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1nlx h ALA 2071Cb 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nlx h ALA 2071CO -0.26 -0.07 0.07 1.88 0.00 0.00 0.00 179.25 180.88 1nlx h TYR 2072N 0.10 1.09 -0.27 0.00 0.05 -0.63 -2.59 116.97 114.71 1nlx h TYR 2072Ca 0.06 -0.16 -0.16 0.00 0.05 0.00 0.00 58.73 58.52 1nlx h TYR 2072Cb 0.33 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1nlx h TYR 2072CO 0.02 0.94 -0.47 -0.91 -1.05 0.00 0.00 178.16 176.69 1nlx h ASN 2073N 0.96 0.78 -0.38 3.88 2.35 -0.86 -0.27 115.58 122.04 1nlx h ASN 2073Ca 0.19 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1nlx h ASN 2073Cb 0.46 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1nlx h ASN 2073CO 0.02 1.13 0.20 0.00 -1.65 0.00 0.00 177.43 177.12 1nlx h ALA 2074N 0.90 0.48 -0.24 -0.83 0.00 -1.14 -2.71 119.26 115.72 1nlx h ALA 2074Ca 0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1nlx h ALA 2074Cb 1.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1nlx h ALA 2074CO 0.10 0.02 -0.38 0.00 0.00 0.00 0.00 179.25 178.99 1nlx h ALA 2075N 1.06 0.89 -0.87 0.00 0.00 -1.41 -2.98 119.26 115.95 1nlx h ALA 2075Ca 0.13 -0.42 0.08 0.00 0.00 0.00 0.00 54.91 54.70 1nlx h ALA 2075Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1nlx h ALA 2075CO -0.02 0.63 0.56 0.22 0.00 0.00 0.00 179.25 180.65 1nlx h ASP 2076N 0.46 0.81 -0.34 0.00 3.58 -0.74 -1.45 116.42 118.73 1nlx h ASP 2076Ca 0.04 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1nlx h ASP 2076Cb 0.87 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1nlx h ASP 2076CO 0.07 0.49 0.00 1.41 -2.88 0.00 0.00 179.24 178.34 1nlx n HIS 2077N -4.51 0.44 -3.68 0.28 8.25 -1.05 -4.95 115.22 110.00 1nlx n HIS 2077Ca 0.14 -0.22 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 1nlx n HIS 2077Cb 0.27 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 1nlx n HIS 2077CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nlx s ALA 2078N -1.56 3.82 0.45 -1.41 0.00 -0.55 -5.07 121.76 117.45 1nlx s ALA 2078Ca 0.36 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 1nlx s ALA 2078Cb 0.21 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.27 1nlx s ALA 2078CO 0.29 0.35 1.25 0.00 0.00 0.00 0.00 175.76 177.65 1nlx s ALA 2079N -1.94 3.06 0.24 0.00 0.00 -1.26 -4.63 121.76 117.23 1nlx s ALA 2079Ca 0.38 1.12 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 1nlx s ALA 2079Cb -0.11 -3.46 0.47 0.00 0.00 0.00 0.00 23.12 20.03 1nlx s ALA 2079CO 0.30 -0.85 1.32 -2.30 0.00 0.00 0.00 175.76 174.23 1nlx n PRO 2080N -0.32 -0.07 0.27 0.00 -0.02 -1.26 0.87 135.00 134.47 1nlx n PRO 2080Ca 0.06 1.30 0.14 0.00 -2.02 0.00 0.00 63.50 62.98 1nlx n PRO 2080Cb 0.46 -1.98 0.83 0.00 -0.02 0.00 0.00 33.50 32.78 1nlx n PRO 2080CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1nlx h GLU 2081N 0.00 0.00 0.00 -0.52 4.11 -1.94 -2.93 114.58 113.30 1nlx h GLU 2081Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1nlx h GLU 2081Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1nlx h GLU 2081CO -0.84 0.00 -1.17 -0.25 0.07 0.00 0.00 179.01 176.82 1nlx n ASP 2082N -4.04 0.86 -0.21 3.06 8.00 0.25 -4.70 116.55 119.78 1nlx n ASP 2082Ca -0.02 -0.58 -0.07 0.00 0.71 0.00 0.00 54.79 54.84 1nlx n ASP 2082Cb 0.13 1.29 -0.01 0.00 -0.02 0.00 0.00 41.12 42.51 1nlx n ASP 2082CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1nlx h LYS 2083N 0.00 -0.18 -0.08 -1.24 1.57 -1.15 0.14 116.57 115.62 1nlx h LYS 2083Ca 0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1nlx h LYS 2083Cb 0.55 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1nlx h LYS 2083CO 0.00 -0.12 -0.13 -0.92 -0.57 0.00 0.00 179.45 177.71 1nlx h TYR 2084N -0.19 -0.32 -0.78 -1.35 3.20 -1.84 -0.67 116.97 115.02 1nlx h TYR 2084Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1nlx h TYR 2084Cb 0.56 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1nlx h TYR 2084CO -0.68 -0.19 0.39 1.49 -1.64 0.00 0.00 178.16 177.53 1nlx h GLU 2085N -0.17 1.11 -0.67 1.82 4.81 -1.76 -1.59 114.58 118.14 1nlx h GLU 2085Ca 0.07 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1nlx h GLU 2085Cb 0.28 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1nlx h GLU 2085CO -0.19 0.85 0.39 0.00 -0.73 0.00 0.00 179.01 179.33 1nlx h ALA 2086N 1.31 0.86 0.40 2.92 0.00 -0.03 -1.29 119.26 123.43 1nlx h ALA 2086Ca 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1nlx h ALA 2086Cb 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nlx h ALA 2086CO -0.04 0.35 -0.19 0.35 0.00 0.00 0.00 179.25 179.72 1nlx h PHE 2087N 0.91 -0.49 -0.17 0.00 3.04 -0.77 -2.50 116.94 116.96 1nlx h PHE 2087Ca 0.24 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.22 1nlx h PHE 2087Cb 0.00 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1nlx h PHE 2087CO -0.01 -0.18 -0.14 0.28 -2.02 0.00 0.00 178.31 176.24 1nlx h VAL 2088N -0.80 0.60 -0.01 1.41 2.07 -1.23 0.15 116.25 118.44 1nlx h VAL 2088Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1nlx h VAL 2088Cb 0.53 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1nlx h VAL 2088CO 0.09 0.00 -0.22 0.25 0.02 0.00 0.00 177.57 177.71 1nlx h LEU 2089N -0.15 -0.63 -1.20 2.57 5.85 -1.30 -1.33 115.31 119.12 1nlx h LEU 2089Ca 0.11 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1nlx h LEU 2089Cb 0.31 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1nlx h LEU 2089CO -0.26 -0.28 -0.40 0.45 -0.34 0.00 0.00 178.44 177.61 1nlx h HIS 2090N -0.34 0.00 -0.03 1.25 3.86 -1.21 -2.77 115.15 115.92 1nlx h HIS 2090Ca 0.06 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1nlx h HIS 2090Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1nlx h HIS 2090CO -0.26 0.40 -0.06 0.35 0.86 0.00 0.00 177.93 179.22 1nlx h PHE 2091N 0.00 0.11 -0.43 2.45 3.57 -0.35 -1.03 116.94 121.25 1nlx h PHE 2091Ca -0.00 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1nlx h PHE 2091Cb 0.72 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1nlx h PHE 2091CO 0.00 0.65 0.17 0.66 -2.23 0.00 0.00 178.31 177.56 1nlx h SER 2092N -0.47 0.56 -0.01 0.41 4.64 -1.25 0.41 113.55 117.85 1nlx h SER 2092Ca 0.00 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1nlx h SER 2092Cb 0.65 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1nlx h SER 2092CO 0.01 0.51 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.09 1nlx h GLU 2093N 0.61 0.05 -0.95 4.77 5.08 -1.51 -2.25 114.58 120.39 1nlx h GLU 2093Ca 0.15 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1nlx h GLU 2093Cb 0.13 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 1nlx h GLU 2093CO -0.01 0.75 0.61 0.00 -1.00 0.00 0.00 179.01 179.36 1nlx h ALA 2094N 0.30 1.53 -0.46 3.43 0.00 -0.92 0.05 119.26 123.19 1nlx h ALA 2094Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1nlx h ALA 2094Cb 0.77 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nlx h ALA 2094CO 0.01 0.29 -0.17 1.25 0.00 0.00 0.00 179.25 180.63 1nlx h LEU 2095N 1.01 0.90 -0.89 0.00 5.85 -0.94 -1.08 115.31 120.16 1nlx h LEU 2095Ca 0.44 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1nlx h LEU 2095Cb 0.33 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1nlx h LEU 2095CO -0.19 1.05 0.10 0.03 -0.34 0.00 0.00 178.44 179.09 1nlx h ARG 2096N 0.78 0.93 0.04 1.25 3.08 -0.49 0.49 114.38 120.46 1nlx h ARG 2096Ca 0.12 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1nlx h ARG 2096Cb 0.70 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1nlx h ARG 2096CO 0.05 0.85 -0.02 0.82 -1.07 0.00 0.00 179.97 180.61 1nlx h ILE 2097N 0.88 1.12 -0.47 2.04 2.04 -0.74 0.59 117.51 122.97 1nlx h ILE 2097Ca 0.18 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.58 1nlx h ILE 2097Cb 0.37 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1nlx h ILE 2097CO 0.01 0.13 0.31 0.40 0.00 0.00 0.00 178.15 179.00 1nlx h ILE 2098N -0.28 0.97 0.00 -0.67 5.03 -0.92 -0.17 117.51 121.47 1nlx h ILE 2098Ca -0.01 -0.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 1nlx h ILE 2098Cb 0.26 0.54 0.00 0.00 -3.03 0.00 0.00 36.82 34.59 1nlx h ILE 2098CO 0.01 0.07 0.00 0.00 -0.68 0.00 0.00 178.15 177.55 1nlx n ALA 2099N -2.51 2.23 -0.93 1.87 0.00 0.14 -4.89 120.51 116.41 1nlx n ALA 2099Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1nlx n ALA 2099Cb 0.25 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1nlx n ALA 2099CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nlx n GLY 2100N 1.25 0.43 3.66 0.00 0.00 -0.08 -5.01 105.19 105.45 1nlx n GLY 2100Ca 0.06 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1nlx n GLY 2100CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nlx s THR 2101N -2.00 4.55 0.21 2.61 2.01 0.12 -4.96 115.64 118.19 1nlx s THR 2101Ca 0.00 1.87 -0.09 0.00 0.31 0.00 0.00 61.69 63.78 1nlx s THR 2101Cb 0.00 -4.21 0.15 0.00 0.01 0.00 0.00 72.50 68.45 1nlx s THR 2101CO 0.00 -0.14 1.81 1.55 -0.69 0.00 0.00 174.62 177.15 1nlx h PRO 2102N 7.63 1.08 -4.85 4.92 0.13 -1.95 -3.36 132.00 135.60 1nlx h PRO 2102Ca -0.23 -0.14 -0.70 0.00 -0.87 0.00 0.00 66.00 64.06 1nlx h PRO 2102Cb 1.09 -0.20 -0.19 0.00 0.13 0.00 0.00 31.00 31.83 1nlx h PRO 2102CO 0.96 0.82 0.54 -1.21 -0.23 0.00 0.00 178.00 178.88 1nlx s GLU 2103N -5.77 3.41 0.00 0.86 0.41 -1.26 -4.84 118.70 111.52 1nlx s GLU 2103Ca -0.13 -1.63 0.26 0.00 -0.41 0.00 0.00 54.97 53.06 1nlx s GLU 2103Cb 0.15 -4.61 0.65 0.00 -1.78 0.00 0.00 34.13 28.54 1nlx s GLU 2103CO 0.81 -1.66 1.52 1.33 -0.49 0.00 0.00 175.26 176.76 1nlx n VAL 2104N 5.36 0.01 0.00 2.63 0.24 -1.26 -4.68 118.33 120.63 1nlx n VAL 2104Ca 0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1nlx n VAL 2104Cb 0.47 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1nlx n VAL 2104CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1nlx n HIS 2105N -1.52 0.00 -3.42 6.34 -0.00 -1.26 -4.58 115.22 110.78 1nlx n HIS 2105Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1nlx n HIS 2105Cb 0.34 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1nlx n HIS 2105CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nlx n ALA 2106N -1.85 0.00 -1.31 1.57 0.00 -1.26 -5.03 120.51 112.63 1nlx n ALA 2106Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nlx n ALA 2106Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nlx n ALA 2106CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78