#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwb n TYR 2007N 0.00 0.26 0.22 -0.67 4.01 -0.41 -1.55 117.16 119.02 3kwb n TYR 2007Ca 0.00 0.11 0.07 0.00 -0.16 0.00 0.00 57.90 57.93 3kwb n TYR 2007Cb 0.00 -0.68 0.51 0.00 -0.31 0.00 0.00 39.34 38.86 3kwb n TYR 2007CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kwb h ARG 2008N 0.00 0.00 -0.00 -0.72 3.08 -1.94 -1.23 114.38 113.56 3kwb h ARG 2008Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kwb h ARG 2008Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kwb h ARG 2008CO 0.00 0.25 -0.03 1.63 -1.07 0.00 0.00 179.97 180.74 3kwb n LYS 2009N -3.85 0.96 0.00 0.04 5.02 -0.60 -3.68 118.16 116.05 3kwb n LYS 2009Ca -0.02 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 3kwb n LYS 2009Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3kwb n LYS 2009CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kwb n LYS 2010N -0.81 1.62 -2.46 1.97 5.02 -0.49 -5.02 118.16 117.99 3kwb n LYS 2010Ca 0.19 -1.12 -0.13 0.00 -2.02 0.00 0.00 58.31 55.24 3kwb n LYS 2010Cb 0.22 -0.95 0.01 0.00 -0.02 0.00 0.00 35.03 34.28 3kwb n LYS 2010CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwb n GLY 2011N -0.32 -0.08 0.86 0.72 0.00 -1.03 -4.92 105.19 100.42 3kwb n GLY 2011Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.80 3kwb n GLY 2011CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kwb n TYR 2012N -4.00 0.27 -4.16 1.61 4.02 -1.04 -4.88 117.16 108.99 3kwb n TYR 2012Ca -0.11 -0.18 -0.26 0.00 -0.01 0.00 0.00 57.90 57.35 3kwb n TYR 2012Cb 0.59 -0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.74 3kwb n TYR 2012CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kwb s VAL 2013N -1.36 1.05 0.92 -0.72 1.01 -1.26 -3.94 120.40 116.10 3kwb s VAL 2013Ca 0.28 -0.35 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 3kwb s VAL 2013Cb 0.17 -1.03 0.15 0.00 0.00 0.00 0.00 36.38 35.67 3kwb s VAL 2013CO 0.24 0.36 1.18 0.42 0.00 0.00 0.00 175.10 177.31 3kwb s THR 2014N 1.30 1.97 0.82 3.92 -4.23 -1.26 -4.99 115.64 113.17 3kwb s THR 2014Ca -0.03 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.37 3kwb s THR 2014Cb -0.14 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 70.94 3kwb s THR 2014CO -0.04 0.00 1.14 -2.16 -0.54 0.00 0.00 174.62 173.02 3kwb s PRO 2015N -5.50 1.75 0.18 3.99 0.04 -1.26 -4.95 135.00 129.25 3kwb s PRO 2015Ca 0.66 1.46 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 3kwb s PRO 2015Cb -0.11 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 3kwb s PRO 2015CO 0.52 -2.07 1.45 0.08 0.04 0.00 0.00 177.00 177.02 3kwb s VAL 2016N -2.57 2.90 0.35 -0.36 1.01 -1.26 -5.03 120.40 115.44 3kwb s VAL 2016Ca 0.67 0.69 0.07 0.00 0.00 0.00 0.00 61.98 63.40 3kwb s VAL 2016Cb -0.22 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3kwb s VAL 2016CO 0.54 0.07 0.36 -0.54 0.00 0.00 0.00 175.10 175.53 3kwb s LYS 2017N 0.57 2.81 -0.20 2.72 -0.14 -1.26 -4.60 119.74 119.65 3kwb s LYS 2017Ca 0.64 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 54.01 3kwb s LYS 2017Cb -0.40 -2.57 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 3kwb s LYS 2017CO 0.35 0.04 -0.17 1.21 -0.76 0.00 0.00 175.35 176.02 3kwb s ASN 2018N -4.07 3.48 0.31 2.83 3.84 -1.26 -1.53 114.94 118.53 3kwb s ASN 2018Ca 0.43 -0.75 0.26 0.00 0.21 0.00 0.00 52.86 53.01 3kwb s ASN 2018Cb -0.07 -1.52 0.84 0.00 -0.55 0.00 0.00 41.25 39.95 3kwb s ASN 2018CO 0.28 -0.04 1.76 0.06 -2.79 0.00 0.00 177.10 176.37 3kwb h GLN 2019N 7.93 0.00 0.00 0.43 3.07 -0.94 -3.47 115.11 122.14 3kwb h GLN 2019Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 3kwb h GLN 2019Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 3kwb h GLN 2019CO 0.61 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.94 3kwb n GLY 2020N 0.77 0.21 0.71 0.06 0.00 -1.26 -3.51 105.19 102.16 3kwb n GLY 2020Ca 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 45.17 3kwb n GLY 2020CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kwb n GLN 2021N 0.00 1.56 -4.50 1.61 1.13 -1.26 -4.75 117.38 111.17 3kwb n GLN 2021Ca 0.00 -0.46 -0.33 0.00 -1.94 0.00 0.00 57.00 54.27 3kwb n GLN 2021Cb 0.00 -1.61 -0.15 0.00 0.11 0.00 0.00 30.24 28.60 3kwb n GLN 2021CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kwb n GLY 2023N 3.99 3.74 1.59 0.00 0.00 -1.07 -4.51 105.19 108.92 3kwb n GLY 2023Ca -0.19 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 44.69 3kwb n GLY 2023CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kwb n SER 2024N 4.01 5.12 -0.33 1.61 3.41 -1.26 -3.95 113.62 122.23 3kwb n SER 2024Ca 0.63 -2.87 0.21 0.00 -0.26 0.00 0.00 58.87 56.58 3kwb n SER 2024Cb 0.20 -0.63 0.44 0.00 -0.26 0.00 0.00 64.21 63.95 3kwb n SER 2024CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwb h TRP 2026N 0.35 0.49 -0.28 0.00 5.08 -1.83 0.24 115.95 120.01 3kwb h TRP 2026Ca 0.70 0.01 -0.13 0.00 1.08 0.00 0.00 58.89 60.55 3kwb h TRP 2026Cb 1.52 -0.17 -0.00 0.00 -3.00 0.00 0.00 29.16 27.52 3kwb h TRP 2026CO -0.04 0.29 -0.32 0.00 -1.28 0.00 0.00 178.44 177.08 3kwb h ALA 2027N 1.73 0.41 -0.47 0.11 0.00 0.12 -1.36 119.26 119.81 3kwb h ALA 2027Ca 0.18 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3kwb h ALA 2027Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kwb h ALA 2027CO -0.05 0.46 -0.23 0.74 0.00 0.00 0.00 179.25 180.17 3kwb h PHE 2028N 0.45 1.14 -0.51 0.00 -1.00 -0.99 -1.60 116.94 114.42 3kwb h PHE 2028Ca 0.04 -0.28 0.01 0.00 2.81 0.00 0.00 57.97 60.55 3kwb h PHE 2028Cb 0.90 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 3kwb h PHE 2028CO 0.07 1.11 0.33 1.03 -1.61 0.00 0.00 178.31 179.24 3kwb h SER 2029N 0.84 0.56 -0.58 2.17 0.87 -0.47 -1.01 113.55 115.92 3kwb h SER 2029Ca 0.10 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3kwb h SER 2029Cb 0.81 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 3kwb h SER 2029CO 0.07 0.40 0.31 0.28 -0.53 0.00 0.00 176.83 177.37 3kwb h SER 2030N 0.67 0.72 -0.80 6.23 0.02 -1.07 -2.73 113.55 116.58 3kwb h SER 2030Ca 0.19 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3kwb h SER 2030Cb -0.05 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.27 3kwb h SER 2030CO -0.05 0.61 0.32 0.58 -1.14 0.00 0.00 176.83 177.14 3kwb h VAL 2031N 0.78 1.26 -0.60 2.27 2.07 -0.96 -2.02 116.25 119.06 3kwb h VAL 2031Ca 0.20 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3kwb h VAL 2031Cb 0.05 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3kwb h VAL 2031CO -0.03 0.34 0.20 1.23 0.02 0.00 0.00 177.57 179.33 3kwb h GLY 2032N 1.17 0.99 0.95 2.17 0.00 -0.96 0.27 103.07 107.66 3kwb h GLY 2032Ca 0.27 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 3kwb h GLY 2032CO -0.02 0.54 -0.04 0.00 0.00 0.00 0.00 176.54 177.01 3kwb h ALA 2033N 1.07 0.53 -0.71 3.60 0.00 -1.36 -1.61 119.26 120.77 3kwb h ALA 2033Ca 0.20 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kwb h ALA 2033Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kwb h ALA 2033CO -0.01 0.35 0.28 -0.07 0.00 0.00 0.00 179.25 179.80 3kwb h LEU 2034N 0.53 0.98 -0.98 0.00 3.38 -1.20 -2.12 115.31 115.90 3kwb h LEU 2034Ca 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kwb h LEU 2034Cb 0.54 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3kwb h LEU 2034CO 0.03 0.89 0.57 -0.33 0.09 0.00 0.00 178.44 179.69 3kwb h GLU 2035N 1.02 1.27 -0.33 1.13 5.08 -0.77 0.28 114.58 122.26 3kwb h GLU 2035Ca 0.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3kwb h GLU 2035Cb 0.22 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3kwb h GLU 2035CO -0.02 0.88 0.17 0.78 -1.00 0.00 0.00 179.01 179.82 3kwb h GLY 2036N 1.29 0.50 1.75 -3.84 0.00 -0.82 -2.04 103.07 99.92 3kwb h GLY 2036Ca 0.34 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 3kwb h GLY 2036CO -0.06 0.23 -0.36 1.46 0.00 0.00 0.00 176.54 177.81 3kwb h GLN 2037N 0.40 0.28 -0.53 4.80 1.08 -0.95 -1.77 115.11 118.42 3kwb h GLN 2037Ca 0.11 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3kwb h GLN 2037Cb 0.09 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3kwb h GLN 2037CO -0.02 0.61 0.17 1.25 -0.95 0.00 0.00 178.83 179.89 3kwb h LEU 2038N 0.24 0.77 -0.15 1.46 5.85 -0.70 0.72 115.31 123.50 3kwb h LEU 2038Ca 0.03 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3kwb h LEU 2038Cb 0.75 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3kwb h LEU 2038CO 0.06 0.76 0.07 0.50 -0.34 0.00 0.00 178.44 179.49 3kwb h LYS 2039N 0.73 0.22 -0.56 1.25 1.63 -1.12 0.14 116.57 118.86 3kwb h LYS 2039Ca 0.17 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 3kwb h LYS 2039Cb 0.27 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 3kwb h LYS 2039CO -0.01 0.28 0.32 -0.22 -3.45 0.00 0.00 179.45 176.38 3kwb h LYS 2040N 0.11 0.61 0.20 1.90 3.64 -1.01 0.50 116.57 122.52 3kwb h LYS 2040Ca 0.05 -0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.06 3kwb h LYS 2040Cb 0.13 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3kwb h LYS 2040CO -0.01 0.41 -1.60 -0.22 -2.27 0.00 0.00 179.45 175.76 3kwb h LYS 2041N 0.63 0.42 -0.02 1.90 3.64 -0.79 -3.38 116.57 118.97 3kwb h LYS 2041Ca 0.23 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kwb h LYS 2041Cb 0.07 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3kwb h LYS 2041CO -0.12 1.32 -0.22 0.25 -2.27 0.00 0.00 179.45 178.42 3kwb n THR 2042N -3.61 0.00 0.00 1.00 -2.24 0.47 -4.96 114.28 104.94 3kwb n THR 2042Ca -0.20 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3kwb n THR 2042Cb 1.08 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 70.57 3kwb n THR 2042CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwb n GLY 2043N 1.12 2.20 3.65 3.38 0.00 0.18 -4.96 105.19 110.75 3kwb n GLY 2043Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3kwb n GLY 2043CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwb s LYS 2044N 0.00 2.35 0.03 1.61 1.02 -1.25 -4.93 119.74 118.57 3kwb s LYS 2044Ca 0.00 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.88 3kwb s LYS 2044Cb 0.00 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 3kwb s LYS 2044CO 0.00 0.45 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.63 3kwb s LEU 2045N -2.94 2.17 0.07 3.17 2.96 -1.26 -2.61 118.68 120.23 3kwb s LEU 2045Ca 0.27 -0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 53.51 3kwb s LEU 2045Cb -0.09 -0.26 0.09 0.00 0.50 0.00 0.00 46.19 46.43 3kwb s LEU 2045CO 0.18 -0.09 0.79 -1.48 -1.32 0.00 0.00 176.35 174.43 3kwb s LEU 2046N -1.09 -0.42 -0.03 -0.68 2.34 -1.26 -5.08 118.68 112.46 3kwb s LEU 2046Ca -0.05 -0.04 -0.30 0.00 0.06 0.00 0.00 54.13 53.80 3kwb s LEU 2046Cb -0.07 2.24 -0.06 0.00 -0.56 0.00 0.00 46.19 47.74 3kwb s LEU 2046CO 0.00 -0.77 1.56 0.20 -1.06 0.00 0.00 176.35 176.28 3kwb s ASN 2047N -2.61 6.72 0.55 1.48 0.01 -1.26 -4.89 114.94 114.95 3kwb s ASN 2047Ca 0.04 2.21 -0.01 0.00 -0.71 0.00 0.00 52.86 54.39 3kwb s ASN 2047Cb -0.01 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.13 3kwb s ASN 2047CO -0.09 -0.85 0.80 -0.76 -1.51 0.00 0.00 177.10 174.69 3kwb s LEU 2048N 3.32 3.31 -0.55 0.60 1.43 -1.26 0.03 118.68 125.55 3kwb s LEU 2048Ca 0.70 0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 53.86 3kwb s LEU 2048Cb -0.33 -3.10 0.07 0.00 0.03 0.00 0.00 46.19 42.86 3kwb s LEU 2048CO 0.28 -1.07 0.70 -0.55 0.23 0.00 0.00 176.35 175.94 3kwb s SER 2049N -4.36 6.21 0.35 2.29 0.15 0.12 -3.74 113.70 114.72 3kwb s SER 2049Ca 0.55 -1.08 0.16 0.00 0.70 0.00 0.00 55.95 56.27 3kwb s SER 2049Cb -0.10 -2.31 0.64 0.00 -1.71 0.00 0.00 66.02 62.53 3kwb s SER 2049CO 0.40 -1.04 1.74 1.55 1.20 0.00 0.00 173.24 177.09 3kwb h PRO 2050N 9.13 0.00 -0.08 5.44 0.13 -1.85 -2.89 132.00 141.88 3kwb h PRO 2050Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 3kwb h PRO 2050Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3kwb h PRO 2050CO 1.04 0.43 -0.36 0.37 -0.23 0.00 0.00 178.00 179.25 3kwb h GLN 2051N 0.00 0.16 -0.77 0.86 5.75 -1.87 -0.48 115.11 118.75 3kwb h GLN 2051Ca -0.00 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3kwb h GLN 2051Cb 0.87 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 3kwb h GLN 2051CO 0.06 0.51 0.47 -0.97 -2.65 0.00 0.00 178.83 176.25 3kwb h ASN 2052N 0.14 0.92 0.02 -0.69 -0.00 -1.75 -0.99 115.58 113.23 3kwb h ASN 2052Ca 0.02 -0.06 -0.00 0.00 -0.00 0.00 0.00 56.30 56.26 3kwb h ASN 2052Cb 0.71 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.80 3kwb h ASN 2052CO 0.05 0.71 -0.01 -0.07 -0.00 0.00 0.00 177.43 178.11 3kwb h LEU 2053N 1.05 -0.02 -0.96 0.34 -0.00 -1.44 -1.15 115.31 113.13 3kwb h LEU 2053Ca 0.28 -0.55 0.16 0.00 -0.00 0.00 0.00 57.88 57.77 3kwb h LEU 2053Cb -0.05 0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 40.52 3kwb h LEU 2053CO -0.05 0.55 0.57 0.58 -0.00 0.00 0.00 178.44 180.08 3kwb h VAL 2054N -0.61 0.77 0.00 1.22 2.07 -0.97 -1.00 116.25 117.74 3kwb h VAL 2054Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kwb h VAL 2054Cb 0.57 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3kwb h VAL 2054CO 0.00 0.14 -0.77 0.44 0.02 0.00 0.00 177.57 177.41 3kwb h ASP 2055N 0.79 0.00 0.00 0.57 3.32 -1.19 -3.38 116.42 116.54 3kwb h ASP 2055Ca 0.52 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3kwb h ASP 2055Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3kwb h ASP 2055CO -0.34 0.01 -0.51 0.00 -1.72 0.00 0.00 179.24 176.68 3kwb s VAL 2057N -1.78 4.79 -0.89 0.00 1.01 -0.42 -4.81 120.40 118.29 3kwb s VAL 2057Ca 0.01 -2.25 0.02 0.00 0.00 0.00 0.00 61.98 59.77 3kwb s VAL 2057Cb 0.05 -4.94 0.02 0.00 0.00 0.00 0.00 36.38 31.52 3kwb s VAL 2057CO 0.27 -1.67 1.06 -1.54 0.00 0.00 0.00 175.10 173.22 3kwb n SER 2058N 6.37 0.06 0.03 3.32 3.41 -1.26 -0.24 113.62 125.31 3kwb n SER 2058Ca 0.36 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.62 3kwb n SER 2058Cb 0.45 -0.53 0.46 0.00 -0.26 0.00 0.00 64.21 64.33 3kwb n SER 2058CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kwb n GLU 2059N -1.58 0.09 -3.58 4.33 1.02 -1.26 -4.83 120.64 114.84 3kwb n GLU 2059Ca -0.00 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.98 3kwb n GLU 2059Cb 0.02 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 29.83 3kwb n GLU 2059CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3kwb s ASN 2060N -3.47 4.97 -0.30 1.62 0.02 0.66 -4.91 114.94 113.53 3kwb s ASN 2060Ca 0.12 -0.85 0.10 0.00 -1.02 0.00 0.00 52.86 51.21 3kwb s ASN 2060Cb 0.17 -0.29 0.60 0.00 0.02 0.00 0.00 41.25 41.74 3kwb s ASN 2060CO 0.60 -0.81 1.61 0.47 0.02 0.00 0.00 177.10 178.99 3kwb n ASP 2061N -1.66 3.55 0.00 -1.22 8.00 -0.37 -4.95 116.55 119.90 3kwb n ASP 2061Ca 0.04 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.08 3kwb n ASP 2061Cb 0.62 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3kwb n ASP 2061CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kwb n GLY 2062N -0.77 3.02 0.00 0.44 0.00 -1.19 0.12 105.19 106.81 3kwb n GLY 2062Ca 0.37 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.79 3kwb n GLY 2062CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwb n GLY 2064N 0.99 -0.68 0.00 0.00 0.00 0.12 -2.60 105.19 103.02 3kwb n GLY 2064Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3kwb n GLY 2064CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwb n GLY 2065N 1.32 0.91 0.00 -0.02 0.00 -1.16 -4.86 105.19 101.39 3kwb n GLY 2065Ca 0.13 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3kwb n GLY 2065CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kwb n GLY 2066N -1.26 2.51 3.51 -0.02 0.00 -1.26 -1.23 105.19 107.43 3kwb n GLY 2066Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 3kwb n GLY 2066CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwb s TYR 2067N -1.97 2.58 0.23 1.61 2.02 -1.26 -4.79 117.35 115.77 3kwb s TYR 2067Ca 0.00 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3kwb s TYR 2067Cb 0.00 -1.37 0.23 0.00 -0.40 0.00 0.00 41.96 40.41 3kwb s TYR 2067CO 0.00 0.39 1.70 0.52 -1.57 0.00 0.00 175.55 176.58 3kwb h MET 2068N 3.75 0.87 -0.82 -0.62 2.86 -1.97 -2.90 114.93 116.09 3kwb h MET 2068Ca -0.50 -0.27 0.06 0.00 -2.06 0.00 0.00 59.70 56.94 3kwb h MET 2068Cb 1.17 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.69 3kwb h MET 2068CO 0.47 0.90 0.54 1.79 1.06 0.00 0.00 176.91 181.67 3kwb h THR 2069N 0.79 1.05 0.00 2.22 1.35 -1.96 0.18 112.91 116.54 3kwb h THR 2069Ca 0.14 -0.31 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 3kwb h THR 2069Cb 0.55 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.03 3kwb h THR 2069CO 0.03 0.17 -0.27 0.78 -0.25 0.00 0.00 175.52 175.98 3kwb h ASN 2070N 0.91 0.00 -0.14 5.36 -0.26 -1.94 -1.82 115.58 117.68 3kwb h ASN 2070Ca 0.35 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.04 3kwb h ASN 2070Cb 0.21 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 3kwb h ASN 2070CO -0.12 0.27 -0.12 0.00 -1.06 0.00 0.00 177.43 176.40 3kwb h ALA 2071N 1.73 0.20 -0.59 -0.83 0.00 -0.64 -1.80 119.26 117.34 3kwb h ALA 2071Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3kwb h ALA 2071Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3kwb h ALA 2071CO 0.03 0.06 0.27 0.74 0.00 0.00 0.00 179.25 180.35 3kwb h PHE 2072N -0.04 0.88 -0.69 0.00 0.04 -1.11 -1.37 116.94 114.65 3kwb h PHE 2072Ca 0.03 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3kwb h PHE 2072Cb 0.63 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.48 3kwb h PHE 2072CO 0.08 0.68 0.44 1.96 -0.60 0.00 0.00 178.31 180.87 3kwb h GLN 2073N 0.82 0.92 0.13 1.51 4.20 -1.33 -0.62 115.11 120.75 3kwb h GLN 2073Ca 0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3kwb h GLN 2073Cb 0.15 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3kwb h GLN 2073CO -0.02 0.64 -0.08 -0.92 -0.67 0.00 0.00 178.83 177.77 3kwb h TYR 2074N 0.94 -0.21 -0.84 2.96 3.20 -0.83 -0.56 116.97 121.62 3kwb h TYR 2074Ca 0.25 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3kwb h TYR 2074Cb -0.06 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 3kwb h TYR 2074CO -0.02 -0.13 0.56 0.28 -1.64 0.00 0.00 178.16 177.21 3kwb h VAL 2075N -0.21 1.17 0.55 1.81 2.07 -1.03 0.24 116.25 120.85 3kwb h VAL 2075Ca -0.01 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3kwb h VAL 2075Cb 0.18 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3kwb h VAL 2075CO 0.01 0.20 -0.26 -0.61 0.02 0.00 0.00 177.57 176.93 3kwb h GLN 2076N 1.09 -0.71 0.00 1.57 4.15 -0.64 -1.21 115.11 119.35 3kwb h GLN 2076Ca 0.33 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 3kwb h GLN 2076Cb -0.03 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3kwb h GLN 2076CO -0.09 -0.42 -0.18 0.87 -1.93 0.00 0.00 178.83 177.08 3kwb h LYS 2077N -0.88 0.00 0.00 1.69 1.57 -0.95 -2.61 116.57 115.40 3kwb h LYS 2077Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kwb h LYS 2077Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3kwb h LYS 2077CO 0.12 0.18 -0.12 -0.97 -0.57 0.00 0.00 179.45 178.10 3kwb h ASN 2078N 0.00 0.00 -1.80 0.86 -1.24 -0.46 -3.47 115.58 109.47 3kwb h ASN 2078Ca -0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 56.30 56.80 3kwb h ASN 2078Cb 0.65 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.70 3kwb h ASN 2078CO 0.02 0.01 -0.27 0.54 -1.29 0.00 0.00 177.43 176.45 3kwb n ARG 2079N -2.61 -1.41 0.00 6.67 1.74 -0.69 -4.96 116.66 115.40 3kwb n ARG 2079Ca 0.04 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3kwb n ARG 2079Cb 0.48 -4.43 0.00 0.00 -1.02 0.00 0.00 32.46 27.49 3kwb n ARG 2079CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kwb n GLY 2080N -1.05 3.16 2.87 -0.13 0.00 -0.55 -4.89 105.19 104.60 3kwb n GLY 2080Ca -0.09 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 3kwb n GLY 2080CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwb s ILE 2081N -2.00 -0.00 0.72 -0.61 2.07 -0.69 -4.64 121.20 116.05 3kwb s ILE 2081Ca 0.00 0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.14 3kwb s ILE 2081Cb 0.00 -0.03 0.03 0.00 0.13 0.00 0.00 42.46 42.59 3kwb s ILE 2081CO 0.00 0.01 1.07 -1.81 -1.91 0.00 0.00 174.94 172.30 3kwb s ASP 2082N 0.08 5.17 0.66 4.50 1.01 -1.26 -1.19 116.67 125.65 3kwb s ASP 2082Ca -0.01 1.42 -0.11 0.00 0.71 0.00 0.00 52.55 54.56 3kwb s ASP 2082Cb -0.01 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 3kwb s ASP 2082CO -0.00 -1.55 1.05 -0.94 0.21 0.00 0.00 175.17 173.94 3kwb s SER 2083N -3.96 5.81 0.17 0.27 1.04 -0.81 -0.70 113.70 115.51 3kwb s SER 2083Ca 0.59 1.39 -0.15 0.00 0.48 0.00 0.00 55.95 58.26 3kwb s SER 2083Cb -0.13 -2.33 0.08 0.00 0.10 0.00 0.00 66.02 63.73 3kwb s SER 2083CO 0.54 -1.14 1.79 -0.08 0.98 0.00 0.00 173.24 175.33 3kwb h GLU 2084N -0.51 0.44 -0.90 4.02 4.57 -0.49 -2.34 114.58 119.37 3kwb h GLU 2084Ca -0.44 -0.03 0.10 0.00 -1.18 0.00 0.00 59.36 57.81 3kwb h GLU 2084Cb 1.21 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.64 3kwb h GLU 2084CO 0.61 0.29 0.58 -0.44 -1.18 0.00 0.00 179.01 178.88 3kwb h ASP 2085N 0.46 0.82 1.08 1.04 3.32 -1.92 0.37 116.42 121.59 3kwb h ASP 2085Ca 0.19 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3kwb h ASP 2085Cb 0.08 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3kwb h ASP 2085CO -0.12 0.48 -0.04 0.00 -1.72 0.00 0.00 179.24 177.84 3kwb n ALA 2086N -2.40 2.40 -2.80 3.45 0.00 -0.94 -4.33 120.51 115.89 3kwb n ALA 2086Ca 0.15 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 3kwb n ALA 2086Cb 0.30 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.33 3kwb n ALA 2086CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kwb n TYR 2087N -1.70 -3.49 -1.84 0.00 4.19 -0.49 -4.93 117.16 108.90 3kwb n TYR 2087Ca 0.06 -1.61 -0.38 0.00 3.31 0.00 0.00 57.90 59.28 3kwb n TYR 2087Cb 0.36 1.41 0.03 0.00 0.49 0.00 0.00 39.34 41.64 3kwb n TYR 2087CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 3kwb s PRO 2088N 0.74 3.26 0.01 2.98 0.02 -0.00 -4.55 135.00 137.46 3kwb s PRO 2088Ca 0.31 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 3kwb s PRO 2088Cb 0.07 -2.31 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 3kwb s PRO 2088CO -0.12 -1.08 1.07 -0.47 -0.33 0.00 0.00 177.00 176.08 3kwb s TYR 2089N -1.33 3.53 0.00 6.54 5.04 -1.26 -4.81 117.35 125.06 3kwb s TYR 2089Ca 0.70 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.84 3kwb s TYR 2089Cb -0.39 -3.25 0.00 0.00 0.35 0.00 0.00 41.96 38.67 3kwb s TYR 2089CO 0.47 -0.57 0.40 1.33 -1.34 0.00 0.00 175.55 175.84 3kwb n VAL 2090N 4.02 0.00 -2.42 3.14 0.24 -1.26 -5.02 118.33 117.04 3kwb n VAL 2090Ca 0.08 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.70 3kwb n VAL 2090Cb 0.49 1.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.86 3kwb n VAL 2090CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwb n GLY 2091N 0.20 -0.37 3.39 7.63 0.00 -1.26 -4.99 105.19 109.79 3kwb n GLY 2091Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 3kwb n GLY 2091CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kwb s GLN 2092N -4.98 0.63 0.08 1.61 0.74 -1.26 -4.39 119.66 112.10 3kwb s GLN 2092Ca 0.03 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 55.71 3kwb s GLN 2092Cb -0.02 0.30 -0.06 0.00 1.10 0.00 0.00 33.01 34.34 3kwb s GLN 2092CO 0.04 -0.10 1.18 -1.21 -0.55 0.00 0.00 175.29 174.65 3kwb s GLU 2093N -0.03 4.46 0.37 1.67 2.02 -1.26 -4.96 118.70 120.97 3kwb s GLU 2093Ca -0.02 1.76 0.06 0.00 0.02 0.00 0.00 54.97 56.79 3kwb s GLU 2093Cb -0.03 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 3kwb s GLU 2093CO 0.02 -0.20 0.22 -1.21 0.02 0.00 0.00 175.26 174.11 3kwb s GLU 2094N 0.77 1.84 0.50 1.61 2.02 -1.26 -5.10 118.70 119.07 3kwb s GLU 2094Ca 0.57 -2.10 -0.22 0.00 0.02 0.00 0.00 54.97 53.25 3kwb s GLU 2094Cb -0.29 -0.07 -0.07 0.00 0.10 0.00 0.00 34.13 33.80 3kwb s GLU 2094CO 0.30 -0.59 1.17 -1.12 0.02 0.00 0.00 175.26 175.05 3kwb s SER 2095N -3.48 5.92 0.05 -0.19 0.01 -1.26 -4.66 113.70 110.09 3kwb s SER 2095Ca 0.33 2.31 -0.32 0.00 1.31 0.00 0.00 55.95 59.58 3kwb s SER 2095Cb 0.02 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.54 3kwb s SER 2095CO 0.22 -1.09 1.86 0.00 0.41 0.00 0.00 173.24 174.64 3kwb n MET 2097N 6.19 1.65 -1.67 0.00 2.81 -1.26 -5.03 117.12 119.80 3kwb n MET 2097Ca 0.20 -3.23 -0.44 0.00 -1.81 0.00 0.00 57.70 52.42 3kwb n MET 2097Cb 0.35 -1.66 -0.02 0.00 -0.71 0.00 0.00 33.22 31.18 3kwb n MET 2097CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 3kwb n TYR 2098N -1.13 2.11 -3.78 2.03 9.36 -1.26 -4.99 117.16 119.49 3kwb n TYR 2098Ca 0.22 0.52 -0.25 0.00 3.32 0.00 0.00 57.90 61.71 3kwb n TYR 2098Cb 0.77 -2.42 -0.17 0.00 -0.63 0.00 0.00 39.34 36.90 3kwb n TYR 2098CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kwb s ASN 2099N -0.07 2.10 0.65 2.98 3.84 -1.26 -5.03 114.94 118.15 3kwb s ASN 2099Ca 0.61 -0.35 0.38 0.00 0.21 0.00 0.00 52.86 53.72 3kwb s ASN 2099Cb -0.62 -0.56 2.08 0.00 -0.55 0.00 0.00 41.25 41.60 3kwb s ASN 2099CO 0.56 -0.22 2.17 1.55 -2.79 0.00 0.00 177.10 178.38 3kwb h PRO 2100N 8.27 0.00 0.00 0.43 0.13 -1.99 -1.41 132.00 137.43 3kwb h PRO 2100Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3kwb h PRO 2100Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kwb h PRO 2100CO 0.31 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 179.87 3kwb h THR 2101N 0.00 0.00 -0.34 1.56 1.35 -2.02 -2.38 112.91 111.08 3kwb h THR 2101Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3kwb h THR 2101Cb 0.25 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3kwb h THR 2101CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3kwb n GLY 2102N 0.12 1.64 3.65 5.82 0.00 -0.53 -4.98 105.19 110.91 3kwb n GLY 2102Ca 0.02 -0.72 -0.50 0.00 0.00 0.00 0.00 46.02 44.81 3kwb n GLY 2102CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kwb n LYS 2103N 1.45 1.66 0.00 1.61 4.81 -0.90 -1.92 118.16 124.87 3kwb n LYS 2103Ca 0.18 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3kwb n LYS 2103Cb 0.60 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3kwb n LYS 2103CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kwb n ALA 2104N 4.10 1.67 -3.51 3.14 0.00 -0.33 -4.84 120.51 120.74 3kwb n ALA 2104Ca 0.20 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3kwb n ALA 2104Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.65 3kwb n ALA 2104CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwb s ALA 2105N -0.07 -1.82 0.18 0.00 0.00 -1.20 -4.99 121.76 113.86 3kwb s ALA 2105Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.10 3kwb s ALA 2105Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 3kwb s ALA 2105CO 0.00 -0.59 -0.04 0.15 0.00 0.00 0.00 175.76 175.28 3kwb s LYS 2106N -2.61 1.15 -0.00 0.00 1.02 -1.26 -1.70 119.74 116.34 3kwb s LYS 2106Ca 0.02 -1.54 0.03 0.00 0.02 0.00 0.00 55.97 54.50 3kwb s LYS 2106Cb -0.01 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 3kwb s LYS 2106CO -0.06 -0.05 -0.08 0.00 -0.92 0.00 0.00 175.35 174.24 3kwb n ARG 2108N 2.79 2.79 0.00 0.00 5.12 0.17 -4.11 116.66 123.42 3kwb n ARG 2108Ca -0.14 -2.39 0.00 0.00 -1.93 0.00 0.00 57.85 53.39 3kwb n ARG 2108Cb 0.57 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 3kwb n ARG 2108CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kwb n GLY 2109N -0.16 0.75 3.39 -0.13 0.00 -1.24 -4.80 105.19 102.99 3kwb n GLY 2109Ca 0.15 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 3kwb n GLY 2109CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwb s TYR 2110N -1.53 -0.08 0.01 1.61 -0.85 -1.26 0.21 117.35 115.45 3kwb s TYR 2110Ca 0.00 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.33 3kwb s TYR 2110Cb 0.00 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.59 3kwb s TYR 2110CO 0.00 -0.78 -0.10 1.03 -1.52 0.00 0.00 175.55 174.17 3kwb s ARG 2111N -3.85 0.79 -0.13 -3.49 0.52 -0.44 -4.88 118.95 107.46 3kwb s ARG 2111Ca 0.07 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3kwb s ARG 2111Cb 0.01 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 3kwb s ARG 2111CO -0.07 0.20 0.01 -1.21 0.02 0.00 0.00 175.30 174.25 3kwb s GLU 2112N -0.54 3.46 0.16 3.54 2.02 -1.26 -1.95 118.70 124.13 3kwb s GLU 2112Ca 0.02 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 3kwb s GLU 2112Cb -0.05 -2.95 -0.07 0.00 0.10 0.00 0.00 34.13 31.16 3kwb s GLU 2112CO 0.00 0.46 1.09 0.42 0.02 0.00 0.00 175.26 177.25 3kwb s ILE 2113N -0.19 3.95 -0.14 -1.63 1.09 -0.51 -4.92 121.20 118.83 3kwb s ILE 2113Ca 0.05 1.65 -0.40 0.00 -1.10 0.00 0.00 60.65 60.86 3kwb s ILE 2113Cb -0.12 -4.05 -0.17 0.00 -1.06 0.00 0.00 42.46 37.05 3kwb s ILE 2113CO 0.02 0.27 1.51 -2.65 -0.10 0.00 0.00 174.94 173.98 3kwb n PRO 2114N 2.53 0.88 -1.64 2.79 -0.02 -1.26 -4.64 135.00 133.64 3kwb n PRO 2114Ca 0.03 0.32 -0.59 0.00 -2.02 0.00 0.00 63.50 61.24 3kwb n PRO 2114Cb 0.46 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 3kwb n PRO 2114CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3kwb n GLU 2115N 3.75 0.56 -0.94 -0.52 2.13 -1.26 -1.85 120.64 122.50 3kwb n GLU 2115Ca 0.23 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3kwb n GLU 2115Cb 0.12 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.05 3kwb n GLU 2115CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kwb n GLY 2116N 3.03 0.19 3.37 8.31 0.00 0.20 -4.95 105.19 115.35 3kwb n GLY 2116Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 3kwb n GLY 2116CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwb s ASN 2117N -2.06 6.18 0.47 1.61 3.84 -0.77 -4.85 114.94 119.36 3kwb s ASN 2117Ca 0.00 -1.44 0.26 0.00 0.21 0.00 0.00 52.86 51.89 3kwb s ASN 2117Cb 0.00 -2.30 1.09 0.00 -0.55 0.00 0.00 41.25 39.49 3kwb s ASN 2117CO 0.00 -1.11 1.89 -0.33 -2.79 0.00 0.00 177.10 174.76 3kwb h GLU 2118N 9.19 0.00 0.10 0.43 5.08 -1.90 -0.99 114.58 126.49 3kwb h GLU 2118Ca -0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3kwb h GLU 2118Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3kwb h GLU 2118CO 1.10 0.17 -0.05 0.87 -1.00 0.00 0.00 179.01 180.11 3kwb h LYS 2119N 0.00 -0.13 -0.90 2.33 1.79 -1.98 -0.87 116.57 116.82 3kwb h LYS 2119Ca -0.00 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 3kwb h LYS 2119Cb 0.64 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.26 3kwb h LYS 2119CO 0.02 0.29 0.58 0.00 -1.08 0.00 0.00 179.45 179.27 3kwb h ALA 2120N 0.23 1.21 -0.81 3.86 0.00 -1.88 -1.64 119.26 120.24 3kwb h ALA 2120Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kwb h ALA 2120Cb 0.48 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kwb h ALA 2120CO 0.02 0.41 0.41 1.25 0.00 0.00 0.00 179.25 181.34 3kwb h LEU 2121N 1.10 1.03 -0.60 0.00 5.85 -1.10 -1.08 115.31 120.52 3kwb h LEU 2121Ca 0.37 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3kwb h LEU 2121Cb 0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3kwb h LEU 2121CO -0.14 0.86 0.21 0.50 -0.34 0.00 0.00 178.44 179.53 3kwb h LYS 2122N 1.13 0.91 -0.15 1.25 3.64 -0.34 -0.77 116.57 122.24 3kwb h LYS 2122Ca 0.28 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3kwb h LYS 2122Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3kwb h LYS 2122CO -0.04 0.80 -0.27 0.00 -2.27 0.00 0.00 179.45 177.67 3kwb h ARG 2123N 0.84 0.28 0.04 1.90 3.08 -1.05 -2.26 114.38 117.20 3kwb h ARG 2123Ca 0.19 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kwb h ARG 2123Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3kwb h ARG 2123CO -0.01 0.54 -0.02 0.00 -1.07 0.00 0.00 179.97 179.41 3kwb h ALA 2124N 1.47 -0.05 -0.70 0.04 0.00 -0.76 -2.04 119.26 117.21 3kwb h ALA 2124Ca 0.04 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kwb h ALA 2124Cb 0.62 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3kwb h ALA 2124CO 0.04 -0.30 0.34 0.28 0.00 0.00 0.00 179.25 179.61 3kwb h VAL 2125N -0.51 0.83 -0.27 0.00 2.07 -1.05 0.33 116.25 117.66 3kwb h VAL 2125Ca -0.01 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 3kwb h VAL 2125Cb 0.47 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kwb h VAL 2125CO 0.01 0.11 -0.21 0.00 0.02 0.00 0.00 177.57 177.49 3kwb h ALA 2126N 1.43 0.39 0.06 1.67 0.00 -1.42 -1.13 119.26 120.27 3kwb h ALA 2126Ca 0.35 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 3kwb h ALA 2126Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kwb h ALA 2126CO -0.28 0.34 -1.24 -0.09 0.00 0.00 0.00 179.25 177.98 3kwb h ARG 2127N 0.34 0.14 0.00 0.00 2.43 -1.12 -3.40 114.38 112.77 3kwb h ARG 2127Ca 0.05 -0.23 -0.35 0.00 -0.81 0.00 0.00 59.98 58.63 3kwb h ARG 2127Cb 0.76 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 3kwb h ARG 2127CO 0.06 1.05 -2.23 0.28 -1.51 0.00 0.00 179.97 177.62 3kwb n VAL 2128N -3.40 1.22 0.00 0.20 0.31 0.11 -5.08 118.33 111.68 3kwb n VAL 2128Ca -0.07 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3kwb n VAL 2128Cb 1.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 3kwb n VAL 2128CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kwb n GLY 2129N 1.98 0.69 3.62 2.92 0.00 -0.43 -4.86 105.19 109.12 3kwb n GLY 2129Ca -0.41 -2.07 -0.47 0.00 0.00 0.00 0.00 46.02 43.06 3kwb n GLY 2129CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kwb n PRO 2130N 0.00 1.58 -5.10 1.61 -0.02 -1.26 -4.25 135.00 127.56 3kwb n PRO 2130Ca 0.00 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 3kwb n PRO 2130Cb 0.00 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 3kwb n PRO 2130CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kwb s VAL 2131N 0.06 1.82 0.18 -1.45 1.01 -0.48 -4.67 120.40 116.88 3kwb s VAL 2131Ca 0.73 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 3kwb s VAL 2131Cb -0.77 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 3kwb s VAL 2131CO 0.49 0.51 1.20 -0.44 0.00 0.00 0.00 175.10 176.86 3kwb s SER 2132N 0.04 7.08 0.05 3.32 0.01 -0.58 -0.95 113.70 122.66 3kwb s SER 2132Ca -0.07 2.23 -0.02 0.00 1.31 0.00 0.00 55.95 59.40 3kwb s SER 2132Cb -0.14 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 3kwb s SER 2132CO 0.04 -0.38 0.01 0.68 0.41 0.00 0.00 173.24 174.00 3kwb s VAL 2133N -0.00 0.18 0.05 3.43 -7.23 -0.59 -1.31 120.40 114.93 3kwb s VAL 2133Ca 0.53 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 59.28 3kwb s VAL 2133Cb -0.33 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 3kwb s VAL 2133CO 0.36 -0.83 -0.19 0.00 -0.31 0.00 0.00 175.10 174.14 3kwb s ALA 2134N -3.33 2.59 0.25 1.32 0.00 -1.21 -0.30 121.76 121.08 3kwb s ALA 2134Ca 0.01 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 3kwb s ALA 2134Cb 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3kwb s ALA 2134CO -0.08 0.57 0.39 0.96 0.00 0.00 0.00 175.76 177.60 3kwb s ILE 2135N -0.95 0.00 -0.46 0.00 -4.36 -0.38 -3.84 121.20 111.21 3kwb s ILE 2135Ca 0.15 -1.60 -0.17 0.00 -0.26 0.00 0.00 60.65 58.77 3kwb s ILE 2135Cb -0.10 -2.36 0.05 0.00 1.25 0.00 0.00 42.46 41.29 3kwb s ILE 2135CO 0.06 0.00 0.44 -0.62 0.24 0.00 0.00 174.94 175.06 3kwb s ASP 2136N -3.10 6.17 -0.22 4.36 2.15 -0.74 -1.61 116.67 123.68 3kwb s ASP 2136Ca 0.28 -1.00 0.13 0.00 0.43 0.00 0.00 52.55 52.39 3kwb s ASP 2136Cb 0.01 -2.21 0.46 0.00 -0.30 0.00 0.00 42.92 40.88 3kwb s ASP 2136CO 0.12 -0.65 1.36 0.00 -0.17 0.00 0.00 175.17 175.82 3kwb n ALA 2137N 5.51 3.55 0.76 3.66 0.00 -1.26 -4.70 120.51 128.03 3kwb n ALA 2137Ca -0.10 -2.90 0.13 0.00 0.00 0.00 0.00 53.44 50.58 3kwb n ALA 2137Cb 0.45 -0.60 0.46 0.00 0.00 0.00 0.00 19.45 19.76 3kwb n ALA 2137CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kwb n SER 2138N -1.04 0.53 -4.78 0.00 3.41 -1.26 -4.49 113.62 105.98 3kwb n SER 2138Ca 0.25 0.50 -0.36 0.00 -0.26 0.00 0.00 58.87 59.00 3kwb n SER 2138Cb 0.87 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 3kwb n SER 2138CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kwb s LEU 2139N -3.95 4.17 0.37 1.04 1.02 -1.26 -4.92 118.68 115.14 3kwb s LEU 2139Ca 0.12 2.00 0.07 0.00 0.02 0.00 0.00 54.13 56.34 3kwb s LEU 2139Cb 0.15 -4.16 0.79 0.00 0.02 0.00 0.00 46.19 42.98 3kwb s LEU 2139CO 0.58 -0.42 1.95 0.74 0.02 0.00 0.00 176.35 179.22 3kwb h THR 2140N 2.26 0.98 -0.48 5.49 2.02 -1.99 -0.13 112.91 121.06 3kwb h THR 2140Ca -0.48 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 3kwb h THR 2140Cb 1.21 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 3kwb h THR 2140CO 0.63 0.13 0.16 0.77 0.37 0.00 0.00 175.52 177.58 3kwb h SER 2141N 0.70 0.64 0.04 4.18 4.64 -1.95 -1.32 113.55 120.48 3kwb h SER 2141Ca 0.33 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 3kwb h SER 2141Cb 0.37 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3kwb h SER 2141CO -0.12 0.60 -0.33 0.15 -0.87 0.00 0.00 176.83 176.27 3kwb h PHE 2142N 0.69 0.25 -0.82 4.77 3.04 -1.57 -2.87 116.94 120.43 3kwb h PHE 2142Ca 0.16 -0.17 0.18 0.00 3.98 0.00 0.00 57.97 62.13 3kwb h PHE 2142Cb 0.19 -0.02 -0.11 0.00 2.56 0.00 0.00 35.95 38.57 3kwb h PHE 2142CO 0.01 1.07 0.31 0.37 -2.02 0.00 0.00 178.31 178.05 3kwb h GLN 2143N -0.64 0.37 -0.37 1.11 5.75 -0.86 -2.37 115.11 118.09 3kwb h GLN 2143Ca -0.05 -0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.26 3kwb h GLN 2143Cb 1.19 -0.08 -0.10 0.00 1.07 0.00 0.00 27.48 29.56 3kwb h GLN 2143CO 0.06 0.24 -0.02 1.19 -2.65 0.00 0.00 178.83 177.66 3kwb n PHE 2144N -5.07 1.18 -1.71 3.99 3.01 -0.52 -4.89 117.46 113.46 3kwb n PHE 2144Ca 0.18 -1.47 -0.39 0.00 1.01 0.00 0.00 57.45 56.78 3kwb n PHE 2144Cb 0.54 -0.48 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 3kwb n PHE 2144CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3kwb n TYR 2145N -1.01 1.96 0.05 1.38 4.19 -0.90 -4.96 117.16 117.88 3kwb n TYR 2145Ca 0.32 0.45 0.00 0.00 3.31 0.00 0.00 57.90 61.98 3kwb n TYR 2145Cb 1.05 -2.32 0.00 0.00 0.49 0.00 0.00 39.34 38.56 3kwb n TYR 2145CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 3kwb n SER 2146N -0.73 0.79 -3.38 2.98 3.41 -1.26 -3.52 113.62 111.90 3kwb n SER 2146Ca 0.11 0.15 -0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3kwb n SER 2146Cb 0.44 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 3kwb n SER 2146CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3kwb s LYS 2147N -2.00 1.88 0.00 4.33 0.00 -1.26 -3.16 119.74 119.53 3kwb s LYS 2147Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 55.97 54.40 3kwb s LYS 2147Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 37.83 38.32 3kwb s LYS 2147CO 0.00 -0.80 0.00 0.41 0.00 0.00 0.00 175.35 174.96 3kwb n GLY 2148N -0.51 -0.66 3.52 0.59 0.00 -1.26 -4.80 105.19 102.07 3kwb n GLY 2148Ca -0.02 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 3kwb n GLY 2148CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwb s VAL 2149N -1.18 4.56 0.16 1.61 1.01 -1.26 -4.21 120.40 121.08 3kwb s VAL 2149Ca 0.00 0.27 -0.32 0.00 0.00 0.00 0.00 61.98 61.94 3kwb s VAL 2149Cb 0.00 -4.42 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 3kwb s VAL 2149CO 0.00 -0.90 1.63 -0.47 0.00 0.00 0.00 175.10 175.36 3kwb s TYR 2150N 3.51 2.89 -0.17 5.22 5.04 0.71 -4.75 117.35 129.80 3kwb s TYR 2150Ca 0.29 0.49 -0.19 0.00 -2.44 0.00 0.00 57.07 55.22 3kwb s TYR 2150Cb -0.13 -3.99 0.05 0.00 0.35 0.00 0.00 41.96 38.24 3kwb s TYR 2150CO 0.20 -3.75 0.51 -0.47 -1.34 0.00 0.00 175.55 170.70 3kwb s TYR 2151N 1.44 -0.55 -0.25 4.97 5.04 -1.26 -1.72 117.35 125.02 3kwb s TYR 2151Ca 0.72 1.29 -0.05 0.00 -2.44 0.00 0.00 57.07 56.58 3kwb s TYR 2151Cb -0.45 0.20 0.13 0.00 0.35 0.00 0.00 41.96 42.20 3kwb s TYR 2151CO 0.32 -0.31 0.50 0.34 -1.34 0.00 0.00 175.55 175.06 3kwb s ASP 2152N 0.05 -0.58 0.64 4.32 -1.08 -1.26 -5.04 116.67 113.72 3kwb s ASP 2152Ca -0.02 0.92 0.34 0.00 -0.52 0.00 0.00 52.55 53.27 3kwb s ASP 2152Cb -0.03 1.69 1.89 0.00 -1.46 0.00 0.00 42.92 45.00 3kwb s ASP 2152CO 0.02 -0.25 2.11 1.05 0.52 0.00 0.00 175.17 178.62 3kwb h GLU 2153N 8.10 0.00 0.00 4.34 4.11 -2.04 -0.96 114.58 128.13 3kwb h GLU 2153Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3kwb h GLU 2153Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3kwb h GLU 2153CO 0.18 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.69 3kwb n SER 2154N -3.25 0.00 -4.72 3.06 7.64 -1.26 -4.85 113.62 110.24 3kwb n SER 2154Ca -0.01 0.26 -0.42 0.00 1.01 0.00 0.00 58.87 59.71 3kwb n SER 2154Cb 0.28 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 3kwb n SER 2154CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwb s ASN 2156N 1.11 5.69 0.34 0.00 3.84 -1.26 -4.62 114.94 120.04 3kwb s ASN 2156Ca 0.74 -1.30 0.22 0.00 0.21 0.00 0.00 52.86 52.72 3kwb s ASN 2156Cb -0.50 -2.01 1.19 0.00 -0.55 0.00 0.00 41.25 39.39 3kwb s ASN 2156CO 0.34 -0.48 1.66 0.77 -2.79 0.00 0.00 177.10 176.59 3kwb h SER 2157N 8.43 0.00 -0.67 -4.21 4.64 -1.87 0.99 113.55 120.87 3kwb h SER 2157Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3kwb h SER 2157Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3kwb h SER 2157CO 0.73 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.16 3kwb n ASP 2158N -2.28 4.60 -3.26 4.97 8.00 -1.26 -4.39 116.55 122.94 3kwb n ASP 2158Ca -0.01 -2.35 -0.26 0.00 0.71 0.00 0.00 54.79 52.87 3kwb n ASP 2158Cb 0.07 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 3kwb n ASP 2158CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kwb n ASN 2159N 1.24 3.54 -4.57 -2.24 5.15 0.34 -5.03 115.26 113.70 3kwb n ASN 2159Ca 0.26 -3.43 -0.42 0.00 -0.60 0.00 0.00 54.58 50.39 3kwb n ASN 2159Cb 0.83 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.42 3kwb n ASN 2159CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3kwb s LEU 2160N -2.65 3.32 -0.03 1.20 1.43 -1.26 -3.66 118.68 117.03 3kwb s LEU 2160Ca 0.42 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 3kwb s LEU 2160Cb 0.20 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.60 3kwb s LEU 2160CO -0.06 -1.67 0.99 -0.46 0.23 0.00 0.00 176.35 175.39 3kwb n ASN 2161N 8.99 1.84 -3.70 2.29 0.23 -0.63 -4.91 115.26 119.36 3kwb n ASN 2161Ca 0.06 -2.17 -0.14 0.00 -0.53 0.00 0.00 54.58 51.80 3kwb n ASN 2161Cb 0.49 -0.11 -0.09 0.00 -2.08 0.00 0.00 39.78 37.99 3kwb n ASN 2161CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3kwb s HIS 2162N -1.33 -0.44 -0.10 -2.53 5.04 -0.95 -4.88 115.29 110.09 3kwb s HIS 2162Ca 0.08 0.95 0.00 0.00 -1.54 0.00 0.00 55.06 54.55 3kwb s HIS 2162Cb 0.07 0.18 -0.02 0.00 0.04 0.00 0.00 32.58 32.85 3kwb s HIS 2162CO 0.01 -0.34 -0.11 0.00 -2.34 0.00 0.00 174.74 171.96 3kwb s ALA 2163N -0.40 2.73 0.17 1.58 0.00 -1.26 -1.25 121.76 123.32 3kwb s ALA 2163Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3kwb s ALA 2163Cb -0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3kwb s ALA 2163CO 0.03 0.37 0.16 1.55 0.00 0.00 0.00 175.76 177.86 3kwb n VAL 2164N 3.04 0.00 -4.05 0.00 3.14 0.59 -4.54 118.33 116.50 3kwb n VAL 2164Ca -0.18 -1.19 -0.27 0.00 -2.96 0.00 0.00 64.34 59.74 3kwb n VAL 2164Cb 0.53 0.61 -0.17 0.00 -1.06 0.00 0.00 33.84 33.75 3kwb n VAL 2164CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3kwb s LEU 2165N 0.00 1.37 -0.52 6.55 2.96 -0.92 -1.54 118.68 126.58 3kwb s LEU 2165Ca 0.20 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.53 3kwb s LEU 2165Cb 0.01 -0.91 0.04 0.00 0.50 0.00 0.00 46.19 45.82 3kwb s LEU 2165CO 0.14 -0.08 0.88 0.00 -1.32 0.00 0.00 176.35 175.97 3kwb s ALA 2166N 1.48 3.21 -2.45 5.97 0.00 -0.13 -0.50 121.76 129.35 3kwb s ALA 2166Ca 0.02 -1.21 0.23 0.00 0.00 0.00 0.00 51.96 51.00 3kwb s ALA 2166Cb -0.13 -3.64 0.43 0.00 0.00 0.00 0.00 23.12 19.78 3kwb s ALA 2166CO -0.07 -2.24 1.41 1.33 0.00 0.00 0.00 175.76 176.19 3kwb n VAL 2167N 6.15 0.53 -2.26 0.00 0.24 0.09 -1.38 118.33 121.70 3kwb n VAL 2167Ca 0.01 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 3kwb n VAL 2167Cb 0.47 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 3kwb n VAL 2167CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kwb n GLY 2168N 1.51 -1.61 3.51 7.63 0.00 -1.19 -1.29 105.19 113.75 3kwb n GLY 2168Ca 0.20 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3kwb n GLY 2168CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kwb s TYR 2169N -2.64 -0.44 -1.15 1.61 -0.85 -1.26 -0.20 117.35 112.42 3kwb s TYR 2169Ca 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.76 3kwb s TYR 2169Cb 0.00 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.92 3kwb s TYR 2169CO 0.00 -0.84 0.00 0.41 -1.52 0.00 0.00 175.55 173.60 3kwb n GLY 2170N -0.37 -0.71 2.96 5.49 0.00 -0.64 -4.59 105.19 107.33 3kwb n GLY 2170Ca -0.13 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 3kwb n GLY 2170CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kwb s ILE 2171N -3.83 0.01 -0.09 -0.61 2.07 -1.26 0.55 121.20 118.04 3kwb s ILE 2171Ca 0.00 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 3kwb s ILE 2171Cb 0.00 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.47 3kwb s ILE 2171CO 0.00 -0.06 -0.10 -1.10 -1.91 0.00 0.00 174.94 171.77 3kwb s GLN 2172N -0.14 1.67 -1.37 3.50 -0.21 -0.08 -4.86 119.66 118.17 3kwb s GLN 2172Ca -0.02 -0.35 -0.16 0.00 0.02 0.00 0.00 55.36 54.85 3kwb s GLN 2172Cb -0.02 -1.54 0.02 0.00 1.00 0.00 0.00 33.01 32.47 3kwb s GLN 2172CO 0.00 -0.13 0.39 1.17 -2.12 0.00 0.00 175.29 174.60 3kwb n LYS 2173N 4.40 -0.91 -0.38 2.91 3.00 -1.26 -0.40 118.16 125.52 3kwb n LYS 2173Ca -0.18 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 3kwb n LYS 2173Cb 0.51 -3.27 0.00 0.00 0.00 0.00 0.00 35.03 32.27 3kwb n LYS 2173CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kwb n GLY 2174N -2.26 1.99 3.22 3.14 0.00 -1.26 -5.00 105.19 105.02 3kwb n GLY 2174Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3kwb n GLY 2174CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kwb s ASN 2175N -3.44 3.65 0.49 1.61 0.01 0.46 -5.10 114.94 112.62 3kwb s ASN 2175Ca 0.00 -0.51 -0.23 0.00 -0.71 0.00 0.00 52.86 51.41 3kwb s ASN 2175Cb 0.00 -1.58 -0.06 0.00 0.41 0.00 0.00 41.25 40.01 3kwb s ASN 2175CO 0.00 0.02 1.30 -0.54 -1.51 0.00 0.00 177.10 176.38 3kwb s LYS 2176N 1.18 3.47 0.29 -0.60 1.02 -1.26 -0.90 119.74 122.94 3kwb s LYS 2176Ca 0.02 2.11 -0.05 0.00 0.02 0.00 0.00 55.97 58.07 3kwb s LYS 2176Cb -0.14 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3kwb s LYS 2176CO -0.06 -0.89 0.40 -3.38 -0.92 0.00 0.00 175.35 170.51 3kwb s HIS 2177N -1.35 0.91 -0.04 3.18 -3.43 0.19 -1.87 115.29 112.88 3kwb s HIS 2177Ca 0.66 -1.16 0.05 0.00 -0.80 0.00 0.00 55.06 53.81 3kwb s HIS 2177Cb -0.37 -0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 30.63 3kwb s HIS 2177CO 0.45 -0.99 -0.19 -1.58 -2.00 0.00 0.00 174.74 170.42 3kwb s TRP 2178N -3.55 2.54 -0.45 0.38 0.52 0.56 -1.62 118.94 117.33 3kwb s TRP 2178Ca 0.30 -0.30 -0.18 0.00 0.02 0.00 0.00 56.10 55.94 3kwb s TRP 2178Cb 0.01 -1.58 0.03 0.00 -1.15 0.00 0.00 33.47 30.78 3kwb s TRP 2178CO 0.16 0.08 0.53 0.42 0.02 0.00 0.00 176.95 178.15 3kwb s ILE 2179N -0.65 4.99 -0.22 2.03 1.01 0.71 -1.73 121.20 127.34 3kwb s ILE 2179Ca 0.10 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 3kwb s ILE 2179Cb -0.11 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3kwb s ILE 2179CO 0.00 -0.56 0.07 -0.63 0.00 0.00 0.00 174.94 173.82 3kwb s ILE 2180N 2.38 4.53 -0.24 2.92 -1.09 -0.56 -0.73 121.20 128.41 3kwb s ILE 2180Ca 0.15 -0.11 -0.14 0.00 -2.23 0.00 0.00 60.65 58.32 3kwb s ILE 2180Cb -0.17 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 3kwb s ILE 2180CO 0.14 0.39 0.33 -0.75 -1.23 0.00 0.00 174.94 173.83 3kwb s LYS 2181N 1.04 4.08 0.46 2.79 2.20 0.35 -1.70 119.74 128.96 3kwb s LYS 2181Ca 0.04 0.02 0.07 0.00 -0.36 0.00 0.00 55.97 55.74 3kwb s LYS 2181Cb -0.14 -3.59 0.08 0.00 -1.51 0.00 0.00 37.83 32.66 3kwb s LYS 2181CO 0.03 -0.13 0.64 -1.71 -0.36 0.00 0.00 175.35 173.82 3kwb n ASN 2182N 4.83 1.64 -2.00 1.43 2.85 -0.89 -2.15 115.26 120.98 3kwb n ASN 2182Ca -0.10 -2.20 -0.06 0.00 -0.11 0.00 0.00 54.58 52.11 3kwb n ASN 2182Cb 0.51 -0.34 0.06 0.00 1.24 0.00 0.00 39.78 41.25 3kwb n ASN 2182CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3kwb n SER 2183N -2.49 2.55 -1.49 1.20 3.41 -1.26 -4.49 113.62 111.05 3kwb n SER 2183Ca 0.13 -2.85 -0.02 0.00 -0.26 0.00 0.00 58.87 55.87 3kwb n SER 2183Cb 0.47 -0.41 0.26 0.00 -0.26 0.00 0.00 64.21 64.27 3kwb n SER 2183CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3kwb n TRP 2184N -0.52 1.72 0.00 7.33 8.01 -1.20 -0.21 117.44 132.57 3kwb n TRP 2184Ca 0.20 -1.23 0.00 0.00 -1.31 0.00 0.00 57.50 55.17 3kwb n TRP 2184Cb 0.90 -0.54 0.00 0.00 -2.01 0.00 0.00 31.31 29.65 3kwb n TRP 2184CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3kwb n GLY 2185N -0.53 -0.17 0.17 6.99 0.00 -0.58 -4.32 105.19 106.74 3kwb n GLY 2185Ca 0.34 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.66 3kwb n GLY 2185CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kwb h GLU 2186N 0.00 0.00 0.00 1.61 5.08 -1.84 -3.17 114.58 116.26 3kwb h GLU 2186Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kwb h GLU 2186Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kwb h GLU 2186CO 0.00 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 3kwb n ASN 2187N -3.43 0.57 -4.82 1.42 4.13 -1.26 -1.94 115.26 109.93 3kwb n ASN 2187Ca 0.00 0.60 -0.35 0.00 1.68 0.00 0.00 54.58 56.52 3kwb n ASN 2187Cb 0.60 -0.74 -0.06 0.00 -1.54 0.00 0.00 39.78 38.04 3kwb n ASN 2187CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3kwb s TRP 2188N -3.18 3.52 0.00 3.10 -0.00 -1.20 -4.85 118.94 116.33 3kwb s TRP 2188Ca 0.07 1.44 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 3kwb s TRP 2188Cb 0.11 -2.68 0.00 0.00 -0.00 0.00 0.00 33.47 30.90 3kwb s TRP 2188CO 0.45 0.18 0.00 0.41 -0.00 0.00 0.00 176.95 177.98 3kwb n GLY 2189N 0.17 2.39 3.34 5.86 0.00 -1.23 0.19 105.19 115.91 3kwb n GLY 2189Ca 0.02 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.28 3kwb n GLY 2189CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kwb s ASN 2190N -4.00 6.97 -1.39 1.61 3.84 0.07 -4.49 114.94 117.55 3kwb s ASN 2190Ca 0.00 -2.99 -0.09 0.00 0.21 0.00 0.00 52.86 49.99 3kwb s ASN 2190Cb 0.00 -2.23 0.01 0.00 -0.55 0.00 0.00 41.25 38.49 3kwb s ASN 2190CO 0.00 -0.50 1.12 0.29 -2.79 0.00 0.00 177.10 175.22 3kwb n LYS 2191N 3.70 -7.57 -0.08 0.43 4.76 -1.23 -1.92 118.16 116.25 3kwb n LYS 2191Ca 0.19 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 3kwb n LYS 2191Cb 0.44 -5.86 0.00 0.00 -1.84 0.00 0.00 35.03 27.77 3kwb n LYS 2191CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kwb n GLY 2192N -1.95 1.09 3.76 0.72 0.00 0.13 -4.77 105.19 104.17 3kwb n GLY 2192Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3kwb n GLY 2192CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwb s TYR 2193N -2.48 2.70 -0.14 1.61 1.51 -0.81 -2.09 117.35 117.65 3kwb s TYR 2193Ca 0.00 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.53 3kwb s TYR 2193Cb 0.00 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 3kwb s TYR 2193CO 0.00 0.25 0.35 -1.50 -1.11 0.00 0.00 175.55 173.54 3kwb s ILE 2194N -2.46 -0.02 -0.16 2.71 2.07 -0.69 -0.75 121.20 121.91 3kwb s ILE 2194Ca 0.40 0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 59.53 3kwb s ILE 2194Cb -0.01 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 3kwb s ILE 2194CO 0.23 0.02 0.41 -0.76 -1.91 0.00 0.00 174.94 172.94 3kwb s LEU 2195N 0.81 4.22 -0.03 8.50 1.43 -1.26 -1.50 118.68 130.86 3kwb s LEU 2195Ca -0.05 0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 3kwb s LEU 2195Cb -0.06 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3kwb s LEU 2195CO -0.06 -0.01 -0.22 -0.04 0.23 0.00 0.00 176.35 176.25 3kwb s MET 2196N 0.88 2.23 0.04 1.70 -1.94 -0.70 -0.21 119.30 121.29 3kwb s MET 2196Ca 0.21 -0.86 -0.36 0.00 -1.71 0.00 0.00 55.69 52.97 3kwb s MET 2196Cb -0.14 -2.15 -0.16 0.00 2.01 0.00 0.00 34.83 34.39 3kwb s MET 2196CO 0.08 0.58 1.49 0.00 -0.01 0.00 0.00 175.02 177.16 3kwb n ALA 2197N 2.36 -0.23 -2.56 3.03 0.00 -0.70 -0.32 120.51 122.09 3kwb n ALA 2197Ca -0.16 0.47 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 3kwb n ALA 2197Cb 0.51 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 3kwb n ALA 2197CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kwb s ARG 2198N 1.28 2.49 -1.46 0.00 3.52 -0.78 -4.55 118.95 119.45 3kwb s ARG 2198Ca 0.86 -0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 55.65 3kwb s ARG 2198Cb -0.90 -2.45 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3kwb s ARG 2198CO 0.48 0.60 0.83 0.09 -0.81 0.00 0.00 175.30 176.49 3kwb n ASN 2199N 1.65 -6.18 -2.87 -2.12 3.02 -1.26 -4.64 115.26 102.86 3kwb n ASN 2199Ca -0.16 -0.38 -0.25 0.00 -0.03 0.00 0.00 54.58 53.76 3kwb n ASN 2199Cb 0.52 -4.92 -0.03 0.00 -0.61 0.00 0.00 39.78 34.75 3kwb n ASN 2199CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3kwb n LYS 2200N -4.36 2.89 -3.61 3.52 4.81 -1.26 -4.87 118.16 115.28 3kwb n LYS 2200Ca -0.06 -4.53 -0.24 0.00 -0.87 0.00 0.00 58.31 52.61 3kwb n LYS 2200Cb 0.60 -2.13 0.08 0.00 0.02 0.00 0.00 35.03 33.59 3kwb n LYS 2200CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3kwb n ASN 2201N -0.22 -6.32 -3.51 3.14 4.05 -1.26 -2.96 115.26 108.19 3kwb n ASN 2201Ca 0.31 -0.55 -0.23 0.00 0.45 0.00 0.00 54.58 54.56 3kwb n ASN 2201Cb 0.50 -4.97 0.05 0.00 1.23 0.00 0.00 39.78 36.59 3kwb n ASN 2201CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 3kwb n ASN 2202N -3.00 -4.95 -4.73 1.20 5.15 -1.26 -4.86 115.26 102.82 3kwb n ASN 2202Ca 0.01 -0.85 -0.42 0.00 -0.60 0.00 0.00 54.58 52.72 3kwb n ASN 2202Cb 0.56 -4.29 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 3kwb n ASN 2202CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kwb n ALA 2203N -3.83 2.74 -1.18 5.20 0.00 -1.16 -1.55 120.51 120.75 3kwb n ALA 2203Ca -0.13 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 3kwb n ALA 2203Cb 0.62 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 3kwb n ALA 2203CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwb n GLY 2205N -0.27 0.55 0.37 0.00 0.00 -0.59 -1.79 105.19 103.46 3kwb n GLY 2205Ca -0.06 -0.33 0.18 0.00 0.00 0.00 0.00 46.02 45.80 3kwb n GLY 2205CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kwb h ILE 2206N 0.00 0.18 -0.18 -0.61 2.10 -1.64 -0.20 117.51 117.16 3kwb h ILE 2206Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3kwb h ILE 2206Cb 1.09 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 3kwb h ILE 2206CO 0.40 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.47 3kwb n ALA 2207N -2.10 2.59 0.13 0.18 0.00 -1.26 -4.41 120.51 115.64 3kwb n ALA 2207Ca 0.03 -2.13 0.06 0.00 0.00 0.00 0.00 53.44 51.40 3kwb n ALA 2207Cb 0.55 -0.52 0.03 0.00 0.00 0.00 0.00 19.45 19.50 3kwb n ALA 2207CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kwb h ASN 2208N 1.18 0.00 -1.01 0.00 4.21 -1.29 0.58 115.58 119.24 3kwb h ASN 2208Ca 0.00 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.14 3kwb h ASN 2208Cb 1.14 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 38.07 3kwb h ASN 2208CO 0.11 0.30 -0.82 -0.11 -1.29 0.00 0.00 177.43 175.62 3kwb n LEU 2209N -3.00 -0.97 -4.74 1.61 7.94 -1.26 -4.58 117.00 112.00 3kwb n LEU 2209Ca -0.01 -4.23 -0.32 0.00 -1.11 0.00 0.00 56.01 50.34 3kwb n LEU 2209Cb 0.67 0.80 -0.08 0.00 0.53 0.00 0.00 43.42 45.34 3kwb n LEU 2209CO 0.39 2.13 -0.29 0.00 -1.11 0.00 0.00 177.39 178.52 3kwb s ALA 2210N -0.78 3.45 0.17 1.96 0.00 -1.26 -3.34 121.76 121.96 3kwb s ALA 2210Ca 0.32 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 3kwb s ALA 2210Cb 0.28 -1.42 0.06 0.00 0.00 0.00 0.00 23.12 22.03 3kwb s ALA 2210CO -0.11 0.69 0.76 -1.54 0.00 0.00 0.00 175.76 175.57 3kwb s SER 2211N -1.90 -0.35 0.02 0.00 1.04 -0.43 -1.43 113.70 110.65 3kwb s SER 2211Ca 0.24 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 3kwb s SER 2211Cb -0.12 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.60 3kwb s SER 2211CO 0.15 -1.02 0.25 0.72 0.98 0.00 0.00 173.24 174.32 3kwb s PHE 2212N -3.60 -0.07 0.51 5.02 -0.71 -0.82 -1.53 117.98 116.78 3kwb s PHE 2212Ca 0.07 -0.01 -0.14 0.00 -1.04 0.00 0.00 56.93 55.81 3kwb s PHE 2212Cb -0.03 0.04 -0.07 0.00 -1.21 0.00 0.00 43.02 41.75 3kwb s PHE 2212CO -0.03 -0.41 0.95 -1.25 -1.34 0.00 0.00 175.22 173.15 3kwb s PRO 2213N -1.94 3.86 -0.13 1.99 0.04 -1.26 -1.33 135.00 136.23 3kwb s PRO 2213Ca -0.10 0.83 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 3kwb s PRO 2213Cb -0.03 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3kwb s PRO 2213CO -0.00 -0.28 0.17 0.15 0.04 0.00 0.00 177.00 177.08 3kwb s LYS 2214N -4.23 3.65 0.00 4.56 1.02 0.13 -4.88 119.74 120.00 3kwb s LYS 2214Ca 0.57 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.46 3kwb s LYS 2214Cb -0.10 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3kwb s LYS 2214CO 0.35 0.66 0.00 -0.12 -0.92 0.00 0.00 175.35 175.32