#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvi s TYR 2003N 0.00 3.63 -0.26 -1.42 1.51 -1.26 -4.94 117.35 114.61 1wvi s TYR 2003Ca 0.00 1.23 0.22 0.00 -1.01 0.00 0.00 57.07 57.51 1wvi s TYR 2003Cb 0.00 -2.72 -0.30 0.00 -0.11 0.00 0.00 41.96 38.83 1wvi s TYR 2003CO 0.00 0.20 0.59 1.63 -1.11 0.00 0.00 175.55 176.87 1wvi n LYS 2004N 3.30 0.51 -3.96 -0.62 4.76 0.15 -4.99 118.16 117.31 1wvi n LYS 2004Ca -0.04 -0.15 -0.09 0.00 -2.87 0.00 0.00 58.31 55.16 1wvi n LYS 2004Cb 0.51 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 1wvi n LYS 2004CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1wvi s GLY 2005N -4.17 0.21 -0.08 0.72 0.00 -1.06 -4.10 107.32 98.83 1wvi s GLY 2005Ca -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1wvi s GLY 2005CO 0.90 -0.62 -0.16 -0.19 0.00 0.00 0.00 173.10 173.03 1wvi s TYR 2006N -1.59 1.86 -0.19 1.90 1.51 -0.83 -2.37 117.35 117.64 1wvi s TYR 2006Ca -0.14 -0.75 -0.06 0.00 -1.01 0.00 0.00 57.07 55.10 1wvi s TYR 2006Cb -0.08 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1wvi s TYR 2006CO -0.01 -0.35 0.03 -0.51 -1.11 0.00 0.00 175.55 173.60 1wvi s LEU 2007N 0.62 3.53 -0.04 -1.29 1.43 -0.23 -0.85 118.68 121.86 1wvi s LEU 2007Ca -0.15 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1wvi s LEU 2007Cb -0.16 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1wvi s LEU 2007CO 0.04 0.11 -0.08 -0.63 0.23 0.00 0.00 176.35 176.02 1wvi s ILE 2008N 0.72 0.77 0.51 -0.59 1.01 -0.02 0.59 121.20 124.19 1wvi s ILE 2008Ca 0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1wvi s ILE 2008Cb -0.14 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.55 1wvi s ILE 2008CO 0.02 0.25 1.04 -0.62 0.00 0.00 0.00 174.94 175.63 1wvi s ASP 2009N 0.42 6.22 0.00 3.58 3.68 -0.17 0.26 116.67 130.65 1wvi s ASP 2009Ca -0.07 1.89 0.00 0.00 2.13 0.00 0.00 52.55 56.50 1wvi s ASP 2009Cb -0.11 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.81 1wvi s ASP 2009CO 0.01 -0.87 0.00 0.18 0.13 0.00 0.00 175.17 174.62 1wvi n LEU 2010N -1.25 0.59 -4.72 -1.34 4.77 -1.24 -4.27 117.00 109.54 1wvi n LEU 2010Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1wvi n LEU 2010Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1wvi n LEU 2010CO 0.42 0.00 1.33 -0.62 -1.33 0.00 0.00 177.39 177.19 1wvi s ASP 2011N -1.00 6.47 0.00 -1.43 2.15 -1.26 -1.78 116.67 119.82 1wvi s ASP 2011Ca 0.00 2.75 0.00 0.00 0.43 0.00 0.00 52.55 55.73 1wvi s ASP 2011Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1wvi s ASP 2011CO 0.00 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.69 1wvi n GLY 2012N 3.93 2.69 0.55 2.66 0.00 0.26 -4.87 105.19 110.40 1wvi n GLY 2012Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1wvi n GLY 2012CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wvi n THR 2013N -2.00 1.24 -0.10 2.61 -1.04 -0.73 -3.39 114.28 110.86 1wvi n THR 2013Ca 0.00 0.15 0.12 0.00 -2.04 0.00 0.00 64.05 62.28 1wvi n THR 2013Cb 0.00 -1.92 0.29 0.00 -1.82 0.00 0.00 70.33 66.88 1wvi n THR 2013CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1wvi n ILE 2014N -3.92 0.80 0.00 12.58 -5.35 -0.98 -4.54 119.36 117.96 1wvi n ILE 2014Ca -0.13 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.46 1wvi n ILE 2014Cb 0.38 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1wvi n ILE 2014CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wvi n TYR 2015N 1.61 0.00 -3.57 4.28 4.11 -1.26 -4.07 117.16 118.27 1wvi n TYR 2015Ca 0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.92 1wvi n TYR 2015Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.81 1wvi n TYR 2015CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1wvi s LYS 2016N -2.00 0.11 7.34 -3.48 2.20 0.14 0.92 119.74 124.96 1wvi s LYS 2016Ca 0.00 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1wvi s LYS 2016Cb 0.00 -1.20 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 1wvi s LYS 2016CO 0.00 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 1wvi n GLY 2017N 5.31 2.75 0.10 5.54 0.00 -1.26 -1.15 105.19 116.47 1wvi n GLY 2017Ca -0.06 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1wvi n GLY 2017CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wvi h LYS 2018N 0.00 0.00 -7.07 1.61 6.56 -2.03 -3.46 116.57 112.18 1wvi h LYS 2018Ca 0.00 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 59.14 1wvi h LYS 2018Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 1wvi h LYS 2018CO 0.00 0.00 0.35 -0.51 -2.06 0.00 0.00 179.45 177.23 1wvi s ASP 2019N -4.79 6.77 0.38 0.86 -0.00 -0.30 -5.08 116.67 114.50 1wvi s ASP 2019Ca 0.04 1.75 0.08 0.00 -0.00 0.00 0.00 52.55 54.42 1wvi s ASP 2019Cb 0.11 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.46 1wvi s ASP 2019CO 0.74 -0.48 0.31 0.00 -0.00 0.00 0.00 175.17 175.74 1wvi s ARG 2020N -3.22 2.57 -0.35 8.23 1.70 -1.26 -0.69 118.95 125.92 1wvi s ARG 2020Ca 0.63 -1.47 0.01 0.00 -0.47 0.00 0.00 55.73 54.43 1wvi s ARG 2020Cb -0.11 -2.37 0.11 0.00 -0.57 0.00 0.00 34.95 32.01 1wvi s ARG 2020CO 0.15 -0.05 0.13 0.42 -1.08 0.00 0.00 175.30 174.87 1wvi s ILE 2021N -2.41 1.22 0.35 4.99 1.01 -1.26 -4.69 121.20 120.41 1wvi s ILE 2021Ca 0.44 -1.88 0.12 0.00 0.00 0.00 0.00 60.65 59.33 1wvi s ILE 2021Cb -0.04 -1.90 0.34 0.00 0.01 0.00 0.00 42.46 40.87 1wvi s ILE 2021CO 0.27 -0.73 1.77 1.55 0.00 0.00 0.00 174.94 177.79 1wvi h PRO 2022N 7.61 0.56 -0.70 2.79 0.13 -1.98 0.20 132.00 140.61 1wvi h PRO 2022Ca -0.08 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1wvi h PRO 2022Cb 0.99 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 1wvi h PRO 2022CO 0.48 0.37 0.35 0.00 -0.23 0.00 0.00 178.00 178.97 1wvi h ALA 2023N 1.65 1.29 -0.03 -0.56 0.00 -1.95 -0.00 119.26 119.67 1wvi h ALA 2023Ca 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1wvi h ALA 2023Cb 1.17 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wvi h ALA 2023CO -0.36 0.56 0.01 0.78 0.00 0.00 0.00 179.25 180.23 1wvi h GLY 2024N 1.05 0.05 0.80 0.00 0.00 -0.87 -0.43 103.07 103.68 1wvi h GLY 2024Ca 0.25 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.59 1wvi h GLY 2024CO -0.03 0.03 0.49 0.83 0.00 0.00 0.00 176.54 177.86 1wvi h GLU 2025N -0.19 0.90 -0.56 4.80 5.08 -1.10 -1.38 114.58 122.14 1wvi h GLU 2025Ca 0.01 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1wvi h GLU 2025Cb 0.25 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1wvi h GLU 2025CO 0.00 0.60 0.12 0.22 -1.00 0.00 0.00 179.01 178.95 1wvi h ASP 2026N 0.93 0.81 -0.51 1.42 3.58 -0.87 -2.27 116.42 119.52 1wvi h ASP 2026Ca 0.33 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.67 1wvi h ASP 2026Cb 0.09 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 40.88 1wvi h ASP 2026CO -0.14 0.80 0.25 0.15 -2.88 0.00 0.00 179.24 177.42 1wvi h PHE 2027N 0.83 0.45 -0.28 0.28 3.04 0.06 0.36 116.94 121.68 1wvi h PHE 2027Ca 0.18 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1wvi h PHE 2027Cb 0.32 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1wvi h PHE 2027CO 0.02 0.21 0.00 0.28 -2.02 0.00 0.00 178.31 176.80 1wvi h VAL 2028N 0.48 1.26 -0.68 1.41 2.07 -1.25 -1.50 116.25 118.04 1wvi h VAL 2028Ca 0.23 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1wvi h VAL 2028Cb 0.16 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1wvi h VAL 2028CO -0.17 0.30 0.42 0.11 0.02 0.00 0.00 177.57 178.25 1wvi h LYS 2029N 0.29 0.80 -0.72 1.57 1.57 -0.85 0.29 116.57 119.51 1wvi h LYS 2029Ca 0.08 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1wvi h LYS 2029Cb 0.42 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1wvi h LYS 2029CO 0.01 0.53 0.43 0.00 -0.57 0.00 0.00 179.45 179.86 1wvi h ARG 2030N 0.82 0.98 -0.52 3.15 3.08 -0.12 -0.08 114.38 121.69 1wvi h ARG 2030Ca 0.28 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1wvi h ARG 2030Cb 0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1wvi h ARG 2030CO -0.11 0.70 0.34 -0.07 -1.07 0.00 0.00 179.97 179.76 1wvi h LEU 2031N 0.98 0.59 -0.86 3.04 3.38 -0.36 -1.47 115.31 120.61 1wvi h LEU 2031Ca 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1wvi h LEU 2031Cb -0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1wvi h LEU 2031CO -0.05 0.42 0.48 1.56 0.09 0.00 0.00 178.44 180.94 1wvi h GLN 2032N 0.70 1.19 -0.79 1.13 4.20 -0.38 -0.29 115.11 120.87 1wvi h GLN 2032Ca 0.20 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1wvi h GLN 2032Cb -0.07 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.44 1wvi h GLN 2032CO -0.05 0.87 0.35 0.93 -0.67 0.00 0.00 178.83 180.26 1wvi h GLU 2033N 1.19 1.16 -0.00 1.46 5.08 -0.46 -1.54 114.58 121.48 1wvi h GLU 2033Ca 0.30 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1wvi h GLU 2033Cb 0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1wvi h GLU 2033CO -0.05 0.92 -0.06 0.54 -1.00 0.00 0.00 179.01 179.36 1wvi n ARG 2034N -4.32 0.52 -3.32 2.33 5.12 -0.61 -4.90 116.66 111.49 1wvi n ARG 2034Ca 0.07 -0.10 -0.23 0.00 -1.93 0.00 0.00 57.85 55.66 1wvi n ARG 2034Cb 0.16 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.02 1wvi n ARG 2034CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1wvi n GLN 2035N -1.15 -6.44 -3.10 5.56 6.02 -0.24 -4.96 117.38 113.06 1wvi n GLN 2035Ca 0.14 0.87 -0.39 0.00 -0.01 0.00 0.00 57.00 57.61 1wvi n GLN 2035Cb 0.26 -5.83 -0.05 0.00 1.02 0.00 0.00 30.24 25.64 1wvi n GLN 2035CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wvi s LEU 2036N -7.01 4.31 0.52 1.08 1.43 -0.47 -5.02 118.68 113.51 1wvi s LEU 2036Ca 0.45 1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 54.44 1wvi s LEU 2036Cb -0.20 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 1wvi s LEU 2036CO 0.56 -0.10 1.29 -2.16 0.23 0.00 0.00 176.35 176.17 1wvi s PRO 2037N 0.78 3.35 0.01 1.29 0.04 -1.26 -4.66 135.00 134.56 1wvi s PRO 2037Ca 0.35 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 1wvi s PRO 2037Cb -0.17 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.13 1wvi s PRO 2037CO 0.16 -0.97 0.60 1.52 0.04 0.00 0.00 177.00 178.35 1wvi s TYR 2038N -1.40 -0.54 -0.03 0.56 1.13 -1.26 -1.97 117.35 113.84 1wvi s TYR 2038Ca 0.69 0.77 0.01 0.00 -1.41 0.00 0.00 57.07 57.14 1wvi s TYR 2038Cb -0.36 0.39 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 1wvi s TYR 2038CO 0.43 -0.64 -0.05 0.42 -2.51 0.00 0.00 175.55 173.20 1wvi s ILE 2039N -1.90 0.52 -0.23 -3.49 1.09 -0.03 -4.78 121.20 112.37 1wvi s ILE 2039Ca -0.08 -0.17 -0.20 0.00 -1.10 0.00 0.00 60.65 59.11 1wvi s ILE 2039Cb -0.01 -0.51 -0.03 0.00 -1.06 0.00 0.00 42.46 40.85 1wvi s ILE 2039CO 0.03 0.20 0.58 -0.76 -0.10 0.00 0.00 174.94 174.89 1wvi s LEU 2040N 0.56 4.10 -0.17 2.97 2.01 0.18 -0.84 118.68 127.48 1wvi s LEU 2040Ca -0.07 0.70 -0.01 0.00 0.01 0.00 0.00 54.13 54.75 1wvi s LEU 2040Cb -0.11 -2.79 -0.01 0.00 0.01 0.00 0.00 46.19 43.29 1wvi s LEU 2040CO 0.00 -0.28 -0.11 -0.69 1.01 0.00 0.00 176.35 176.28 1wvi s VAL 2041N 2.11 3.00 0.04 -1.59 1.01 0.14 -0.94 120.40 124.17 1wvi s VAL 2041Ca 0.25 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1wvi s VAL 2041Cb -0.16 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1wvi s VAL 2041CO 0.09 0.49 -0.12 0.28 0.00 0.00 0.00 175.10 175.84 1wvi s THR 2042N 0.95 0.91 -2.07 3.92 -1.32 -1.00 -3.71 115.64 113.33 1wvi s THR 2042Ca -0.02 -0.96 0.27 0.00 -1.21 0.00 0.00 61.69 59.77 1wvi s THR 2042Cb -0.15 -0.86 0.42 0.00 -1.51 0.00 0.00 72.50 70.40 1wvi s THR 2042CO -0.01 -0.09 1.68 0.59 -2.21 0.00 0.00 174.62 174.59 1wvi n ASN 2043N 1.85 1.15 -4.72 8.08 5.03 -1.26 -1.52 115.26 123.87 1wvi n ASN 2043Ca -0.19 -1.12 -0.42 0.00 0.87 0.00 0.00 54.58 53.72 1wvi n ASN 2043Cb 0.55 0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 39.34 1wvi n ASN 2043CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1wvi s ASN 2044N -2.27 6.53 0.00 6.41 2.47 -1.26 -4.60 114.94 122.22 1wvi s ASN 2044Ca 0.31 2.70 0.08 0.00 0.42 0.00 0.00 52.86 56.37 1wvi s ASN 2044Cb 0.20 -2.60 0.16 0.00 -1.45 0.00 0.00 41.25 37.56 1wvi s ASN 2044CO 0.43 -0.86 1.01 0.35 -3.72 0.00 0.00 177.10 174.31 1wvi n THR 2045N 3.84 0.58 -0.02 -5.21 -2.24 -1.26 -4.18 114.28 105.79 1wvi n THR 2045Ca 0.14 -0.79 -0.21 0.00 -2.27 0.00 0.00 64.05 60.91 1wvi n THR 2045Cb 0.38 0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 1wvi n THR 2045CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wvi n THR 2046N 0.34 1.72 -3.46 4.28 -2.24 -1.26 -3.85 114.28 109.81 1wvi n THR 2046Ca 0.07 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 1wvi n THR 2046Cb 0.31 -1.75 -0.06 0.00 -2.10 0.00 0.00 70.33 66.73 1wvi n THR 2046CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1wvi s ARG 2047N -2.53 4.09 0.85 -0.78 0.52 -1.26 -4.62 118.95 115.22 1wvi s ARG 2047Ca -0.25 0.37 -0.12 0.00 -0.52 0.00 0.00 55.73 55.21 1wvi s ARG 2047Cb 0.07 -3.32 0.10 0.00 0.52 0.00 0.00 34.95 32.33 1wvi s ARG 2047CO 0.72 0.47 1.11 0.95 0.02 0.00 0.00 175.30 178.57 1wvi s THR 2048N -0.34 2.67 0.26 0.02 -4.23 -1.26 -4.77 115.64 107.99 1wvi s THR 2048Ca 0.23 0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.93 1wvi s THR 2048Cb -0.16 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 71.02 1wvi s THR 2048CO 0.11 -0.28 1.86 -0.65 -0.54 0.00 0.00 174.62 175.11 1wvi h PRO 2049N -1.30 1.02 -0.13 3.99 0.11 -1.96 -0.07 132.00 133.65 1wvi h PRO 2049Ca -0.49 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 65.57 1wvi h PRO 2049Cb 1.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1wvi h PRO 2049CO 0.59 0.67 0.07 0.93 -0.21 0.00 0.00 178.00 180.06 1wvi h GLU 2050N 1.05 0.15 -0.47 1.05 3.07 -1.93 0.29 114.58 117.78 1wvi h GLU 2050Ca 0.42 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.31 1wvi h GLU 2050Cb 0.24 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 1wvi h GLU 2050CO -0.19 0.10 0.25 0.52 -1.40 0.00 0.00 179.01 178.28 1wvi h MET 2051N 0.16 0.48 -0.30 2.33 2.86 -1.70 0.51 114.93 119.26 1wvi h MET 2051Ca 0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1wvi h MET 2051Cb -0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1wvi h MET 2051CO -0.03 0.31 0.19 0.28 1.06 0.00 0.00 176.91 178.73 1wvi h VAL 2052N 0.49 1.10 -0.31 -2.22 2.07 -0.57 -0.13 116.25 116.67 1wvi h VAL 2052Ca 0.20 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1wvi h VAL 2052Cb 0.09 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1wvi h VAL 2052CO -0.13 0.09 0.13 -0.61 0.02 0.00 0.00 177.57 177.07 1wvi h GLN 2053N 0.40 0.27 -0.53 1.57 4.15 0.12 -1.42 115.11 119.67 1wvi h GLN 2053Ca 0.11 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1wvi h GLN 2053Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1wvi h GLN 2053CO -0.02 0.18 0.23 1.49 -1.93 0.00 0.00 178.83 178.78 1wvi h GLU 2054N 0.28 0.78 -0.49 1.69 4.81 -0.64 -2.32 114.58 118.69 1wvi h GLU 2054Ca 0.14 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1wvi h GLU 2054Cb 0.08 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1wvi h GLU 2054CO -0.12 0.67 0.26 1.98 -0.73 0.00 0.00 179.01 181.07 1wvi h MET 2055N 0.72 0.50 -0.43 1.92 4.05 -0.69 0.14 114.93 121.14 1wvi h MET 2055Ca 0.18 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.59 1wvi h MET 2055Cb 0.17 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1wvi h MET 2055CO -0.02 0.33 0.26 -0.07 0.23 0.00 0.00 176.91 177.64 1wvi h LEU 2056N 0.51 0.42 -0.14 3.39 3.38 -0.98 0.21 115.31 122.09 1wvi h LEU 2056Ca 0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1wvi h LEU 2056Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wvi h LEU 2056CO -0.14 0.30 -0.35 0.00 0.09 0.00 0.00 178.44 178.34 1wvi h ALA 2057N 1.19 0.24 -0.20 1.53 0.00 -0.46 -0.70 119.26 120.86 1wvi h ALA 2057Ca 0.17 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1wvi h ALA 2057Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wvi h ALA 2057CO -0.07 0.30 -0.46 1.15 0.00 0.00 0.00 179.25 180.16 1wvi h THR 2058N 0.11 1.32 0.00 0.00 2.02 -0.65 -3.21 112.91 112.50 1wvi h THR 2058Ca -0.00 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.48 1wvi h THR 2058Cb 0.96 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1wvi h THR 2058CO 0.08 0.53 -1.14 -1.20 0.37 0.00 0.00 175.52 174.15 1wvi n SER 2059N -4.18 0.84 -0.54 4.18 7.64 0.71 -4.70 113.62 117.56 1wvi n SER 2059Ca -0.06 -0.63 0.02 0.00 1.01 0.00 0.00 58.87 59.21 1wvi n SER 2059Cb 0.57 1.26 0.02 0.00 -1.01 0.00 0.00 64.21 65.05 1wvi n SER 2059CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1wvi n PHE 2060N -1.64 0.00 -1.92 1.43 3.72 -0.47 -4.95 117.46 113.63 1wvi n PHE 2060Ca 0.01 -0.17 -0.14 0.00 -0.05 0.00 0.00 57.45 57.10 1wvi n PHE 2060Cb 0.34 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1wvi n PHE 2060CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wvi n ASN 2061N -0.13 -3.95 -4.36 4.37 3.02 -0.99 -4.88 115.26 108.35 1wvi n ASN 2061Ca 0.03 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.46 1wvi n ASN 2061Cb 0.73 -3.49 -0.13 0.00 -0.61 0.00 0.00 39.78 36.28 1wvi n ASN 2061CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wvi s ILE 2062N -2.43 3.89 -0.31 2.41 1.01 -0.39 -4.94 121.20 120.44 1wvi s ILE 2062Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1wvi s ILE 2062Cb 0.00 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.59 1wvi s ILE 2062CO 0.00 0.21 0.03 -0.54 0.00 0.00 0.00 174.94 174.63 1wvi s LYS 2063N 1.52 2.53 0.03 2.79 1.02 -1.26 -0.88 119.74 125.49 1wvi s LYS 2063Ca 0.04 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 54.86 1wvi s LYS 2063Cb -0.16 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1wvi s LYS 2063CO 0.01 -0.61 -0.12 -0.08 -0.92 0.00 0.00 175.35 173.64 1wvi s THR 2064N 1.31 0.89 0.63 2.17 -1.32 -1.26 -5.07 115.64 112.99 1wvi s THR 2064Ca -0.04 -0.91 -0.18 0.00 -1.21 0.00 0.00 61.69 59.36 1wvi s THR 2064Cb -0.19 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 69.93 1wvi s THR 2064CO -0.00 -0.06 1.00 -2.65 -2.21 0.00 0.00 174.62 170.70 1wvi n PRO 2065N 1.95 0.85 -0.04 7.08 -0.02 -1.26 -4.88 135.00 138.68 1wvi n PRO 2065Ca -0.18 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1wvi n PRO 2065Cb 0.55 -2.22 0.40 0.00 -0.02 0.00 0.00 33.50 32.21 1wvi n PRO 2065CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wvi h LEU 2066N 0.35 0.53 0.00 2.45 5.85 -1.97 -2.27 115.31 120.25 1wvi h LEU 2066Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1wvi h LEU 2066Cb 1.36 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1wvi h LEU 2066CO 0.50 0.38 0.00 -0.62 -0.34 0.00 0.00 178.44 178.36 1wvi n GLU 2067N -4.47 0.01 0.00 1.25 4.71 -1.26 -2.17 120.64 118.71 1wvi n GLU 2067Ca 0.04 0.28 0.13 0.00 -0.01 0.00 0.00 57.16 57.60 1wvi n GLU 2067Cb 0.07 -1.50 0.46 0.00 -1.01 0.00 0.00 31.44 29.46 1wvi n GLU 2067CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1wvi n THR 2068N -1.49 0.00 -3.52 2.62 -2.24 -0.85 -4.75 114.28 104.05 1wvi n THR 2068Ca 0.03 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1wvi n THR 2068Cb 0.15 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1wvi n THR 2068CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wvi s ILE 2069N -2.44 4.89 -0.24 2.28 1.01 -0.92 0.50 121.20 126.27 1wvi s ILE 2069Ca 0.27 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1wvi s ILE 2069Cb 0.20 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.94 1wvi s ILE 2069CO 0.49 -0.32 -0.10 -0.47 0.00 0.00 0.00 174.94 174.55 1wvi s TYR 2070N 1.60 3.09 0.42 3.97 5.04 -0.12 -4.93 117.35 126.43 1wvi s TYR 2070Ca 0.03 -1.82 0.08 0.00 -2.44 0.00 0.00 57.07 52.92 1wvi s TYR 2070Cb -0.20 -2.00 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 1wvi s TYR 2070CO 0.08 -0.79 0.46 0.95 -1.34 0.00 0.00 175.55 174.90 1wvi s THR 2071N 1.25 2.74 0.41 4.34 -4.23 -1.26 -2.38 115.64 116.51 1wvi s THR 2071Ca -0.02 -1.22 0.14 0.00 -1.18 0.00 0.00 61.69 59.41 1wvi s THR 2071Cb -0.17 -2.96 0.14 0.00 1.34 0.00 0.00 72.50 70.85 1wvi s THR 2071CO -0.06 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.93 1wvi h ALA 2072N 0.86 1.54 -0.24 3.99 0.00 -1.44 -1.72 119.26 122.25 1wvi h ALA 2072Ca -0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1wvi h ALA 2072Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1wvi h ALA 2072CO 0.53 0.34 0.09 1.15 0.00 0.00 0.00 179.25 181.36 1wvi h THR 2073N 0.00 1.18 -0.39 0.00 2.02 -1.87 0.44 112.91 114.29 1wvi h THR 2073Ca -0.00 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1wvi h THR 2073Cb 0.49 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1wvi h THR 2073CO 0.04 0.18 0.16 -0.07 0.37 0.00 0.00 175.52 176.20 1wvi h LEU 2074N 0.24 0.53 -0.75 2.58 3.38 -1.85 -1.71 115.31 117.72 1wvi h LEU 2074Ca 0.08 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1wvi h LEU 2074Cb 0.20 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1wvi h LEU 2074CO -0.01 0.54 0.49 0.00 0.09 0.00 0.00 178.44 179.55 1wvi h ALA 2075N 1.01 0.96 -0.39 1.53 0.00 -1.20 -0.14 119.26 121.02 1wvi h ALA 2075Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wvi h ALA 2075Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1wvi h ALA 2075CO -0.01 0.34 0.19 1.15 0.00 0.00 0.00 179.25 180.91 1wvi h THR 2076N 0.99 1.17 -0.61 0.00 2.02 -0.63 -0.47 112.91 115.39 1wvi h THR 2076Ca 0.28 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 1wvi h THR 2076Cb -0.08 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1wvi h THR 2076CO -0.08 0.19 0.06 0.40 0.37 0.00 0.00 175.52 176.46 1wvi h ILE 2077N 0.50 1.26 -0.63 3.11 2.04 -1.00 0.26 117.51 123.05 1wvi h ILE 2077Ca 0.14 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1wvi h ILE 2077Cb 0.12 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1wvi h ILE 2077CO -0.02 0.39 0.40 0.44 0.00 0.00 0.00 178.15 179.36 1wvi h ASP 2078N 0.93 0.74 -0.22 1.72 3.32 -0.74 0.11 116.42 122.30 1wvi h ASP 2078Ca 0.18 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1wvi h ASP 2078Cb 0.48 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1wvi h ASP 2078CO 0.02 0.56 0.11 0.22 -1.72 0.00 0.00 179.24 178.43 1wvi h TYR 2079N 0.85 0.30 -0.54 4.55 3.20 -0.77 0.04 116.97 124.61 1wvi h TYR 2079Ca 0.23 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.14 1wvi h TYR 2079Cb -0.06 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 1wvi h TYR 2079CO -0.02 0.29 0.26 0.52 -1.64 0.00 0.00 178.16 177.56 1wvi h MET 2080N 0.23 0.47 -0.59 1.82 2.86 -0.43 -0.78 114.93 118.51 1wvi h MET 2080Ca 0.08 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1wvi h MET 2080Cb 0.09 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1wvi h MET 2080CO -0.01 0.31 0.18 -0.91 1.06 0.00 0.00 176.91 177.54 1wvi h ASN 2081N 0.49 0.83 -0.26 1.22 2.35 -0.39 -2.59 115.58 117.24 1wvi h ASN 2081Ca 0.24 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1wvi h ASN 2081Cb 0.19 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1wvi h ASN 2081CO -0.19 0.79 0.01 0.44 -1.65 0.00 0.00 177.43 176.83 1wvi h ASP 2082N 0.87 0.43 0.56 5.81 3.45 -0.14 -3.00 116.42 124.40 1wvi h ASP 2082Ca 0.20 -0.29 -0.03 0.00 0.43 0.00 0.00 57.03 57.34 1wvi h ASP 2082Cb 0.26 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1wvi h ASP 2082CO -0.01 0.62 -0.12 0.24 -1.57 0.00 0.00 179.24 178.40 1wvi h MET 2083N 0.23 0.00 -6.59 3.56 2.86 -1.06 -3.48 114.93 110.46 1wvi h MET 2083Ca 0.07 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.27 1wvi h MET 2083Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1wvi h MET 2083CO 0.01 0.12 -0.96 0.36 1.06 0.00 0.00 176.91 177.51 1wvi n LYS 2084N -3.47 -1.38 -4.26 1.72 2.85 -0.99 -5.03 118.16 107.62 1wvi n LYS 2084Ca -0.01 0.76 -0.29 0.00 -1.05 0.00 0.00 58.31 57.72 1wvi n LYS 2084Cb 0.28 -2.77 -0.03 0.00 -0.65 0.00 0.00 35.03 31.86 1wvi n LYS 2084CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wvi n ARG 2085N -2.83 0.73 -0.61 -1.58 3.00 -1.26 -5.07 116.66 109.04 1wvi n ARG 2085Ca -0.26 -3.56 -0.19 0.00 -0.01 0.00 0.00 57.85 53.83 1wvi n ARG 2085Cb 0.66 0.68 0.01 0.00 0.00 0.00 0.00 32.46 33.81 1wvi n ARG 2085CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wvi n GLY 2086N -1.31 -1.74 2.20 -0.13 0.00 -1.26 -4.77 105.19 98.17 1wvi n GLY 2086Ca -0.12 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 1wvi n GLY 2086CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wvi n LYS 2087N 0.84 2.16 -4.14 1.61 4.01 -1.26 -4.71 118.16 116.66 1wvi n LYS 2087Ca 0.03 -2.12 -0.15 0.00 -0.51 0.00 0.00 58.31 55.56 1wvi n LYS 2087Cb 0.24 -1.91 -0.11 0.00 -0.51 0.00 0.00 35.03 32.74 1wvi n LYS 2087CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1wvi s THR 2088N -2.68 0.85 -0.09 -0.18 -4.23 -1.26 -2.51 115.64 105.54 1wvi s THR 2088Ca 0.46 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 59.32 1wvi s THR 2088Cb 0.33 -1.02 0.07 0.00 1.34 0.00 0.00 72.50 73.22 1wvi s THR 2088CO -0.10 -0.40 0.69 0.00 -0.54 0.00 0.00 174.62 174.27 1wvi s ALA 2089N -1.74 -1.77 -0.19 3.99 0.00 -0.88 -2.27 121.76 118.89 1wvi s ALA 2089Ca -0.02 1.44 -0.05 0.00 0.00 0.00 0.00 51.96 53.34 1wvi s ALA 2089Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1wvi s ALA 2089CO 0.01 -0.36 -0.01 -0.47 0.00 0.00 0.00 175.76 174.92 1wvi s TYR 2090N -0.91 3.02 -0.08 0.00 5.04 -0.40 -2.43 117.35 121.60 1wvi s TYR 2090Ca -0.09 -0.49 0.04 0.00 -2.44 0.00 0.00 57.07 54.09 1wvi s TYR 2090Cb -0.01 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.23 1wvi s TYR 2090CO 0.08 -0.24 -0.20 0.08 -1.34 0.00 0.00 175.55 173.93 1wvi s VAL 2091N 0.94 2.46 -0.21 3.14 1.01 -1.26 -1.22 120.40 125.27 1wvi s VAL 2091Ca 0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1wvi s VAL 2091Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1wvi s VAL 2091CO 0.02 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.01 1wvi s ILE 2092N -0.11 3.46 -3.84 2.22 1.01 0.12 -4.97 121.20 119.09 1wvi s ILE 2092Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1wvi s ILE 2092Cb -0.14 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1wvi s ILE 2092CO 0.04 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1wvi n GLY 2093N 4.59 -1.82 3.77 6.18 0.00 -1.26 -0.77 105.19 115.88 1wvi n GLY 2093Ca -0.18 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1wvi n GLY 2093CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wvi s GLU 2094N -1.72 2.11 0.34 1.61 0.41 -1.07 -4.76 118.70 115.62 1wvi s GLU 2094Ca 0.00 1.00 0.09 0.00 -0.41 0.00 0.00 54.97 55.65 1wvi s GLU 2094Cb 0.00 -1.89 0.84 0.00 -1.78 0.00 0.00 34.13 31.29 1wvi s GLU 2094CO 0.00 -1.70 1.82 0.00 -0.49 0.00 0.00 175.26 174.89 1wvi h THR 2095N -1.16 0.73 -0.30 3.63 1.03 -1.95 -1.80 112.91 113.09 1wvi h THR 2095Ca -0.45 -0.23 0.04 0.00 -0.01 0.00 0.00 66.41 65.75 1wvi h THR 2095Cb 1.24 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 68.29 1wvi h THR 2095CO 0.54 0.12 0.09 1.23 -0.01 0.00 0.00 175.52 177.50 1wvi h GLY 2096N 0.67 0.37 0.90 2.99 0.00 -1.87 0.36 103.07 106.49 1wvi h GLY 2096Ca 0.52 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.76 1wvi h GLY 2096CO -0.28 0.02 0.05 -2.00 0.00 0.00 0.00 176.54 174.33 1wvi h LEU 2097N 0.22 0.50 -1.11 3.11 5.85 -1.45 -0.75 115.31 121.69 1wvi h LEU 2097Ca 0.14 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1wvi h LEU 2097Cb 0.11 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1wvi h LEU 2097CO -0.15 0.63 0.43 0.11 -0.34 0.00 0.00 178.44 179.12 1wvi h LYS 2098N 0.35 1.05 0.02 1.25 1.57 -1.23 -1.90 116.57 117.67 1wvi h LYS 2098Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1wvi h LYS 2098Cb 0.34 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1wvi h LYS 2098CO 0.01 0.76 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.42 1wvi h LYS 2099N 1.06 -0.02 -0.84 3.15 3.64 -0.70 -2.39 116.57 120.46 1wvi h LYS 2099Ca 0.27 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1wvi h LYS 2099Cb 0.01 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.76 1wvi h LYS 2099CO -0.05 0.34 0.48 0.00 -2.27 0.00 0.00 179.45 177.95 1wvi h ALA 2100N 0.58 1.20 -0.39 5.00 0.00 -0.91 0.56 119.26 125.31 1wvi h ALA 2100Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1wvi h ALA 2100Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wvi h ALA 2100CO 0.00 0.08 -0.08 0.28 0.00 0.00 0.00 179.25 179.53 1wvi h VAL 2101N 0.78 1.27 -0.49 0.00 2.07 -1.33 -1.20 116.25 117.37 1wvi h VAL 2101Ca 0.41 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1wvi h VAL 2101Cb 0.40 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1wvi h VAL 2101CO -0.26 0.39 0.16 0.00 0.02 0.00 0.00 177.57 177.88 1wvi h ALA 2102N 0.84 0.64 0.00 1.67 0.00 -0.88 -2.18 119.26 119.35 1wvi h ALA 2102Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wvi h ALA 2102Cb 0.60 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wvi h ALA 2102CO 0.04 0.28 -0.03 0.93 0.00 0.00 0.00 179.25 180.47 1wvi h GLU 2103N 0.65 0.00 -0.01 0.00 5.08 -0.82 -1.20 114.58 118.29 1wvi h GLU 2103Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1wvi h GLU 2103Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1wvi h GLU 2103CO -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1wvi n ALA 2104N -2.11 2.64 0.00 3.43 0.00 -0.46 -4.86 120.51 119.15 1wvi n ALA 2104Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1wvi n ALA 2104Cb 0.28 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1wvi n ALA 2104CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wvi n GLY 2105N 0.93 0.90 3.20 0.00 0.00 -0.46 -5.07 105.19 104.68 1wvi n GLY 2105Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1wvi n GLY 2105CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wvi s TYR 2106N -2.00 3.45 0.48 1.61 1.51 -0.94 -4.69 117.35 116.77 1wvi s TYR 2106Ca 0.00 -1.96 -0.22 0.00 -1.01 0.00 0.00 57.07 53.88 1wvi s TYR 2106Cb 0.00 -3.36 -0.07 0.00 -0.11 0.00 0.00 41.96 38.41 1wvi s TYR 2106CO 0.00 -0.97 1.11 -0.98 -1.11 0.00 0.00 175.55 173.59 1wvi s ARG 2107N 1.32 3.73 0.06 -0.62 1.70 -1.05 -3.56 118.95 120.53 1wvi s ARG 2107Ca 0.06 1.59 -0.31 0.00 -0.47 0.00 0.00 55.73 56.60 1wvi s ARG 2107Cb -0.25 -2.25 -0.07 0.00 -0.57 0.00 0.00 34.95 31.81 1wvi s ARG 2107CO -0.01 -0.54 1.47 -1.21 -1.08 0.00 0.00 175.30 173.93 1wvi s GLU 2108N -2.94 4.27 -0.19 3.89 0.41 -1.25 -2.08 118.70 120.80 1wvi s GLU 2108Ca 0.66 2.12 -0.05 0.00 -0.41 0.00 0.00 54.97 57.29 1wvi s GLU 2108Cb -0.23 -3.45 0.07 0.00 -1.78 0.00 0.00 34.13 28.74 1wvi s GLU 2108CO 0.28 -0.57 0.09 0.34 -0.49 0.00 0.00 175.26 174.91 1wvi s ASP 2109N 1.71 2.59 0.00 -0.19 -1.08 -1.02 -4.91 116.67 113.77 1wvi s ASP 2109Ca 0.67 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 52.21 1wvi s ASP 2109Cb -0.36 -0.31 1.06 0.00 -1.46 0.00 0.00 42.92 41.85 1wvi s ASP 2109CO 0.29 -0.36 1.74 -1.54 0.52 0.00 0.00 175.17 175.82 1wvi n SER 2110N 5.24 1.26 -0.08 -0.34 3.41 -1.26 -3.65 113.62 118.21 1wvi n SER 2110Ca -0.07 -1.50 -0.08 0.00 -0.26 0.00 0.00 58.87 56.95 1wvi n SER 2110Cb 0.48 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 1wvi n SER 2110CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wvi n GLU 2111N 0.01 0.49 -2.75 4.33 -0.58 -1.26 -4.81 120.64 116.08 1wvi n GLU 2111Ca 0.18 0.20 -0.18 0.00 -0.42 0.00 0.00 57.16 56.94 1wvi n GLU 2111Cb 0.30 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 1wvi n GLU 2111CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wvi n ASN 2112N -4.39 2.55 -4.74 1.62 4.13 -1.26 -4.67 115.26 108.49 1wvi n ASN 2112Ca -0.13 -3.15 -0.36 0.00 1.68 0.00 0.00 54.58 52.62 1wvi n ASN 2112Cb 0.49 -0.53 0.05 0.00 -1.54 0.00 0.00 39.78 38.25 1wvi n ASN 2112CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1wvi s PRO 2113N -3.14 2.73 0.24 3.52 0.04 -1.24 -4.91 135.00 132.23 1wvi s PRO 2113Ca 0.38 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.36 1wvi s PRO 2113Cb 0.40 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 33.23 1wvi s PRO 2113CO -0.07 -1.40 1.50 0.00 0.04 0.00 0.00 177.00 177.08 1wvi h ALA 2114N 0.56 0.74 -3.52 8.56 0.00 -1.75 -3.39 119.26 120.46 1wvi h ALA 2114Ca -0.50 -0.63 -0.42 0.00 0.00 0.00 0.00 54.91 53.36 1wvi h ALA 2114Cb 1.30 -0.11 -0.23 0.00 0.00 0.00 0.00 17.79 18.76 1wvi h ALA 2114CO 0.54 0.87 -0.78 0.71 0.00 0.00 0.00 179.25 180.59 1wvi s TYR 2115N -3.24 1.19 -0.21 0.00 2.02 -0.96 -0.98 117.35 115.17 1wvi s TYR 2115Ca 0.00 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1wvi s TYR 2115Cb 0.11 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 41.03 1wvi s TYR 2115CO 0.77 0.05 -0.08 0.08 -1.57 0.00 0.00 175.55 174.79 1wvi s VAL 2116N -1.13 1.58 -0.14 0.71 1.01 -0.03 -1.27 120.40 121.13 1wvi s VAL 2116Ca -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1wvi s VAL 2116Cb -0.09 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1wvi s VAL 2116CO 0.02 0.05 -0.06 -0.69 0.00 0.00 0.00 175.10 174.41 1wvi s VAL 2117N 1.40 3.65 -0.06 2.92 1.01 -0.36 -0.75 120.40 128.21 1wvi s VAL 2117Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1wvi s VAL 2117Cb -0.17 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1wvi s VAL 2117CO -0.07 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.78 1wvi s VAL 2118N 0.24 0.80 0.22 2.92 1.01 -0.15 -0.70 120.40 124.73 1wvi s VAL 2118Ca -0.04 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1wvi s VAL 2118Cb -0.14 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1wvi s VAL 2118CO 0.04 0.29 0.10 0.61 0.00 0.00 0.00 175.10 176.14 1wvi n GLY 2119N 4.19 3.55 3.76 4.51 0.00 0.05 -1.14 105.19 120.11 1wvi n GLY 2119Ca -0.21 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1wvi n GLY 2119CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wvi s LEU 2120N 0.00 4.34 -0.26 0.99 0.20 -1.26 -4.24 118.68 118.46 1wvi s LEU 2120Ca 0.15 2.95 -0.03 0.00 0.69 0.00 0.00 54.13 57.88 1wvi s LEU 2120Cb 0.01 -3.64 0.09 0.00 -0.43 0.00 0.00 46.19 42.21 1wvi s LEU 2120CO 0.10 -0.88 0.10 -0.62 -0.29 0.00 0.00 176.35 174.77 1wvi s ASP 2121N 0.30 3.32 0.00 3.68 -1.08 -1.26 -2.58 116.67 119.04 1wvi s ASP 2121Ca 0.60 -1.16 0.15 0.00 -0.52 0.00 0.00 52.55 51.62 1wvi s ASP 2121Cb -0.47 -0.46 0.91 0.00 -1.46 0.00 0.00 42.92 41.44 1wvi s ASP 2121CO 0.51 -0.40 1.34 0.35 0.52 0.00 0.00 175.17 177.49 1wvi n THR 2122N 5.15 0.00 -1.38 1.71 -2.24 -1.26 -1.61 114.28 114.64 1wvi n THR 2122Ca -0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1wvi n THR 2122Cb 0.44 -0.62 0.18 0.00 -2.10 0.00 0.00 70.33 68.24 1wvi n THR 2122CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wvi n ASN 2123N -0.91 2.02 -4.63 3.42 4.13 -1.26 -5.06 115.26 112.97 1wvi n ASN 2123Ca 0.11 -3.58 -0.43 0.00 1.68 0.00 0.00 54.58 52.36 1wvi n ASN 2123Cb 0.05 -0.50 -0.01 0.00 -1.54 0.00 0.00 39.78 37.79 1wvi n ASN 2123CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1wvi n LEU 2124N -1.23 2.59 -4.13 3.41 0.00 -0.64 -5.01 117.00 112.00 1wvi n LEU 2124Ca 0.18 1.16 -0.09 0.00 0.00 0.00 0.00 56.01 57.27 1wvi n LEU 2124Cb 0.69 -1.37 -0.10 0.00 0.00 0.00 0.00 43.42 42.64 1wvi n LEU 2124CO -0.01 -1.10 -0.35 0.42 0.00 0.00 0.00 177.39 176.35 1wvi s THR 2125N -1.12 0.33 0.23 1.96 -4.23 -1.26 -5.04 115.64 106.50 1wvi s THR 2125Ca 0.58 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 1wvi s THR 2125Cb -0.62 -1.68 0.19 0.00 1.34 0.00 0.00 72.50 71.74 1wvi s THR 2125CO 0.60 -0.85 1.89 0.22 -0.54 0.00 0.00 174.62 175.94 1wvi h TYR 2126N 3.04 1.04 -0.82 3.99 3.20 -1.99 -2.42 116.97 123.01 1wvi h TYR 2126Ca -0.35 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.62 1wvi h TYR 2126Cb 1.16 -0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1wvi h TYR 2126CO 0.53 0.64 0.49 1.49 -1.64 0.00 0.00 178.16 179.67 1wvi h GLU 2127N 1.11 0.84 -0.57 1.82 4.57 -1.98 0.20 114.58 120.57 1wvi h GLU 2127Ca 0.32 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.39 1wvi h GLU 2127Cb -0.09 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.29 1wvi h GLU 2127CO -0.08 0.56 0.12 0.87 -1.18 0.00 0.00 179.01 179.30 1wvi h LYS 2128N 0.87 0.93 -0.59 1.92 1.57 -1.86 0.66 116.57 120.07 1wvi h LYS 2128Ca 0.37 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1wvi h LYS 2128Cb 0.24 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1wvi h LYS 2128CO -0.20 0.87 0.28 -0.07 -0.57 0.00 0.00 179.45 179.77 1wvi h LEU 2129N 0.83 0.77 -0.36 2.94 4.07 -0.96 -1.08 115.31 121.53 1wvi h LEU 2129Ca 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 1wvi h LEU 2129Cb 0.37 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1wvi h LEU 2129CO 0.01 0.69 0.17 0.74 -1.08 0.00 0.00 178.44 178.97 1wvi h THR 2130N 0.80 1.17 -0.30 0.22 2.02 -0.35 0.28 112.91 116.75 1wvi h THR 2130Ca 0.20 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1wvi h THR 2130Cb 0.12 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1wvi h THR 2130CO -0.03 0.17 0.14 -0.07 0.37 0.00 0.00 175.52 176.11 1wvi h LEU 2131N 0.44 0.19 -0.32 2.58 4.07 -0.53 -0.86 115.31 120.88 1wvi h LEU 2131Ca 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1wvi h LEU 2131Cb 0.12 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1wvi h LEU 2131CO -0.02 0.15 0.14 0.00 -1.08 0.00 0.00 178.44 177.63 1wvi h ALA 2132N 1.17 0.42 -0.28 1.53 0.00 -0.93 -1.98 119.26 119.19 1wvi h ALA 2132Ca 0.13 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1wvi h ALA 2132Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1wvi h ALA 2132CO -0.10 0.00 0.06 1.15 0.00 0.00 0.00 179.25 180.36 1wvi h THR 2133N 0.38 0.87 -0.48 0.00 2.02 -0.10 0.39 112.91 115.98 1wvi h THR 2133Ca 0.11 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1wvi h THR 2133Cb 0.16 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1wvi h THR 2133CO -0.01 0.03 0.23 -0.07 0.37 0.00 0.00 175.52 176.07 1wvi h LEU 2134N 0.16 0.63 -0.48 2.58 4.07 -1.09 -1.36 115.31 119.83 1wvi h LEU 2134Ca 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1wvi h LEU 2134Cb 0.13 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1wvi h LEU 2134CO -0.17 0.58 0.19 0.00 -1.08 0.00 0.00 178.44 177.97 1wvi h ALA 2135N 1.07 0.62 -0.37 1.53 0.00 -1.02 -2.03 119.26 119.06 1wvi h ALA 2135Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wvi h ALA 2135Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wvi h ALA 2135CO -0.02 0.23 0.24 0.82 0.00 0.00 0.00 179.25 180.52 1wvi h ILE 2136N 0.63 1.10 -0.52 0.00 2.04 -0.77 -1.74 117.51 118.26 1wvi h ILE 2136Ca 0.16 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.91 1wvi h ILE 2136Cb 0.19 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1wvi h ILE 2136CO -0.01 0.10 0.36 1.56 0.00 0.00 0.00 178.15 180.16 1wvi h GLN 2137N 0.49 0.26 0.00 2.37 4.20 -0.98 0.07 115.11 121.52 1wvi h GLN 2137Ca 0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1wvi h GLN 2137Cb -0.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1wvi h GLN 2137CO -0.03 0.17 0.00 1.63 -0.67 0.00 0.00 178.83 179.94 1wvi n LYS 2138N -4.46 0.55 0.00 1.46 5.02 -0.69 -4.88 118.16 115.16 1wvi n LYS 2138Ca 0.09 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1wvi n LYS 2138Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1wvi n LYS 2138CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wvi n GLY 2139N 1.08 0.89 3.76 0.72 0.00 0.01 -5.09 105.19 106.56 1wvi n GLY 2139Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1wvi n GLY 2139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wvi s ALA 2140N -2.00 2.99 -0.24 4.61 0.00 -0.99 -4.91 121.76 121.22 1wvi s ALA 2140Ca 0.00 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 1wvi s ALA 2140Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1wvi s ALA 2140CO 0.00 -1.26 1.36 0.08 0.00 0.00 0.00 175.76 175.93 1wvi s VAL 2141N -1.27 4.08 -0.44 0.00 1.01 -0.16 -4.70 120.40 118.92 1wvi s VAL 2141Ca 0.67 1.25 -0.26 0.00 0.00 0.00 0.00 61.98 63.64 1wvi s VAL 2141Cb -0.41 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1wvi s VAL 2141CO 0.50 -0.34 0.94 0.12 0.00 0.00 0.00 175.10 176.33 1wvi s PHE 2142N 4.26 2.95 -0.05 5.22 5.99 -1.26 -0.85 117.98 134.24 1wvi s PHE 2142Ca 0.59 0.50 0.06 0.00 0.00 0.00 0.00 56.93 58.09 1wvi s PHE 2142Cb -0.20 -3.93 -0.01 0.00 0.00 0.00 0.00 43.02 38.88 1wvi s PHE 2142CO 0.22 -1.05 -0.24 0.42 -0.00 0.00 0.00 175.22 174.57 1wvi s ILE 2143N 3.74 1.99 -0.10 3.12 1.01 0.07 -1.10 121.20 129.92 1wvi s ILE 2143Ca 0.38 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1wvi s ILE 2143Cb -0.10 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1wvi s ILE 2143CO 0.25 0.56 -0.07 -0.83 0.00 0.00 0.00 174.94 174.85 1wvi s GLY 2144N -0.24 1.68 0.09 6.18 0.00 -0.05 -0.98 107.32 114.00 1wvi s GLY 2144Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 44.72 43.69 1wvi s GLY 2144CO 0.03 -0.46 1.35 -0.91 0.00 0.00 0.00 173.10 173.11 1wvi h THR 2145N 4.61 1.31 -2.84 0.90 1.35 -1.44 -1.01 112.91 115.79 1wvi h THR 2145Ca -0.41 -1.64 -0.09 0.00 -0.55 0.00 0.00 66.41 63.71 1wvi h THR 2145Cb 1.18 1.80 -0.19 0.00 -1.73 0.00 0.00 68.15 69.22 1wvi h THR 2145CO 0.55 0.52 -0.13 0.54 -0.25 0.00 0.00 175.52 176.75 1wvi s ASN 2146N -6.68 -0.31 0.00 5.36 2.20 -1.26 -0.03 114.94 114.21 1wvi s ASN 2146Ca -0.12 0.17 0.27 0.00 -0.94 0.00 0.00 52.86 52.24 1wvi s ASN 2146Cb 0.08 0.39 0.82 0.00 -2.00 0.00 0.00 41.25 40.54 1wvi s ASN 2146CO 0.84 -0.56 1.63 -0.81 -2.94 0.00 0.00 177.10 175.26 1wvi n PRO 2147N 0.92 0.09 -1.68 3.55 -0.04 -1.26 -3.41 135.00 133.17 1wvi n PRO 2147Ca -0.20 -0.04 -0.59 0.00 -0.04 0.00 0.00 63.50 62.63 1wvi n PRO 2147Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1wvi n PRO 2147CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wvi n ASP 2148N -1.43 1.71 0.17 3.54 8.00 -1.26 -3.75 116.55 123.52 1wvi n ASP 2148Ca 0.07 1.12 0.04 0.00 0.71 0.00 0.00 54.79 56.73 1wvi n ASP 2148Cb 0.33 -1.06 0.22 0.00 -0.02 0.00 0.00 41.12 40.59 1wvi n ASP 2148CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wvi h LEU 2149N 5.73 0.00 -8.66 0.64 -0.00 -1.90 0.42 115.31 111.53 1wvi h LEU 2149Ca -0.47 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.10 1wvi h LEU 2149Cb 1.35 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.86 1wvi h LEU 2149CO 0.90 0.46 -0.70 0.20 -0.00 0.00 0.00 178.44 179.30 1wvi s ASN 2150N -6.47 1.64 -0.14 -0.43 0.01 -1.26 -0.36 114.94 107.93 1wvi s ASN 2150Ca 0.01 -1.07 -0.00 0.00 -0.71 0.00 0.00 52.86 51.09 1wvi s ASN 2150Cb 0.10 0.02 0.03 0.00 0.41 0.00 0.00 41.25 41.82 1wvi s ASN 2150CO 0.71 -0.41 -0.06 -0.51 -1.51 0.00 0.00 177.10 175.32 1wvi s ILE 2151N -3.42 1.08 -0.18 0.60 1.10 0.21 -4.47 121.20 116.11 1wvi s ILE 2151Ca 0.19 -0.48 -0.29 0.00 -0.51 0.00 0.00 60.65 59.56 1wvi s ILE 2151Cb 0.04 -1.18 0.00 0.00 0.15 0.00 0.00 42.46 41.47 1wvi s ILE 2151CO 0.02 0.24 1.03 -2.16 -2.11 0.00 0.00 174.94 171.96 1wvi s PRO 2152N 1.66 4.33 0.39 3.50 0.04 -1.26 -1.46 135.00 142.20 1wvi s PRO 2152Ca 0.03 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.49 1wvi s PRO 2152Cb -0.14 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1wvi s PRO 2152CO -0.08 -0.50 0.07 0.95 0.04 0.00 0.00 177.00 177.47 1wvi s THR 2153N 2.72 1.08 0.46 1.26 -4.23 -0.08 -4.98 115.64 111.87 1wvi s THR 2153Ca 0.46 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.38 1wvi s THR 2153Cb -0.17 -2.58 0.43 0.00 1.34 0.00 0.00 72.50 71.52 1wvi s THR 2153CO 0.11 0.00 2.23 -0.08 -0.54 0.00 0.00 174.62 176.35 1wvi h GLU 2154N 1.86 0.00 0.00 3.99 4.57 -2.05 0.35 114.58 123.30 1wvi h GLU 2154Ca -0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1wvi h GLU 2154Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1wvi h GLU 2154CO 0.67 0.00 -0.33 -0.09 -1.18 0.00 0.00 179.01 178.08 1wvi h ARG 2155N 0.00 0.00 0.00 1.92 2.43 -1.98 -3.50 114.38 113.25 1wvi h ARG 2155Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wvi h ARG 2155Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1wvi h ARG 2155CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 1wvi n GLY 2156N 1.25 0.66 3.52 2.80 0.00 0.11 -4.98 105.19 108.55 1wvi n GLY 2156Ca 0.04 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 1wvi n GLY 2156CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wvi s LEU 2157N 0.00 3.80 0.54 0.99 1.43 -1.26 -0.90 118.68 123.28 1wvi s LEU 2157Ca 0.00 -1.19 -0.01 0.00 -1.03 0.00 0.00 54.13 51.90 1wvi s LEU 2157Cb 0.00 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1wvi s LEU 2157CO 0.00 -1.52 0.78 -0.76 0.23 0.00 0.00 176.35 175.09 1wvi s LEU 2158N 4.67 3.33 0.18 1.79 1.02 -0.54 -4.85 118.68 124.28 1wvi s LEU 2158Ca 0.37 0.20 -0.32 0.00 0.02 0.00 0.00 54.13 54.40 1wvi s LEU 2158Cb -0.06 -3.05 -0.11 0.00 0.02 0.00 0.00 46.19 42.99 1wvi s LEU 2158CO 0.00 -1.06 1.76 -2.84 0.02 0.00 0.00 176.35 174.23 1wvi s PRO 2159N -4.78 4.13 0.63 1.29 0.02 -1.26 -0.62 135.00 134.40 1wvi s PRO 2159Ca 0.55 2.61 0.06 0.00 0.02 0.00 0.00 61.00 64.23 1wvi s PRO 2159Cb -0.10 -3.23 0.10 0.00 0.02 0.00 0.00 34.50 31.29 1wvi s PRO 2159CO 0.40 -0.78 0.86 0.20 -0.33 0.00 0.00 177.00 177.35 1wvi s GLY 2160N 1.64 1.74 0.24 0.52 0.00 0.52 -4.43 107.32 107.55 1wvi s GLY 2160Ca 0.77 -2.02 -0.05 0.00 0.00 0.00 0.00 44.72 43.41 1wvi s GLY 2160CO 0.33 -1.52 1.79 0.00 0.00 0.00 0.00 173.10 173.71 1wvi h ALA 2161N -0.07 1.09 -0.60 3.20 0.00 -1.80 -1.68 119.26 119.39 1wvi h ALA 2161Ca -0.32 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1wvi h ALA 2161Cb 1.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1wvi h ALA 2161CO 0.40 0.03 0.40 0.78 0.00 0.00 0.00 179.25 180.86 1wvi h GLY 2162N 0.70 0.71 1.03 0.00 0.00 -0.18 0.79 103.07 106.11 1wvi h GLY 2162Ca 0.38 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1wvi h GLY 2162CO -0.26 0.16 -0.16 0.00 0.00 0.00 0.00 176.54 176.28 1wvi h ALA 2163N 1.68 0.58 -0.39 3.60 0.00 -1.42 -1.45 119.26 121.87 1wvi h ALA 2163Ca 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wvi h ALA 2163Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1wvi h ALA 2163CO -0.08 0.52 0.10 0.82 0.00 0.00 0.00 179.25 180.61 1wvi h ILE 2164N 0.67 1.22 -0.80 0.00 2.04 -1.16 -2.41 117.51 117.07 1wvi h ILE 2164Ca 0.10 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.30 1wvi h ILE 2164Cb 0.72 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1wvi h ILE 2164CO 0.05 0.26 0.45 -0.07 0.00 0.00 0.00 178.15 178.85 1wvi h LEU 2165N 0.48 0.65 -1.04 1.44 3.38 -0.75 -1.63 115.31 117.83 1wvi h LEU 2165Ca 0.12 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1wvi h LEU 2165Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1wvi h LEU 2165CO -0.00 0.38 0.04 -0.26 0.09 0.00 0.00 178.44 178.69 1wvi h PHE 2166N 0.77 0.76 -0.09 1.13 0.04 -0.92 0.17 116.94 118.80 1wvi h PHE 2166Ca 0.38 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 61.08 1wvi h PHE 2166Cb 0.34 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1wvi h PHE 2166CO -0.07 0.69 0.01 1.25 -0.60 0.00 0.00 178.31 179.59 1wvi h LEU 2167N 0.69 -0.02 -0.79 1.54 7.12 -0.83 -0.04 115.31 122.99 1wvi h LEU 2167Ca 0.14 0.02 -0.08 0.00 0.13 0.00 0.00 57.88 58.09 1wvi h LEU 2167Cb 0.36 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 1wvi h LEU 2167CO 0.01 0.01 0.02 -0.07 -0.13 0.00 0.00 178.44 178.27 1wvi h LEU 2168N 0.04 0.90 -0.42 2.25 3.38 -0.88 -1.23 115.31 119.36 1wvi h LEU 2168Ca 0.04 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wvi h LEU 2168Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1wvi h LEU 2168CO -0.06 0.95 0.25 -0.08 0.09 0.00 0.00 178.44 179.59 1wvi h GLU 2169N 0.87 0.58 -0.63 1.13 4.81 -0.31 -0.22 114.58 120.80 1wvi h GLU 2169Ca 0.16 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1wvi h GLU 2169Cb 0.49 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1wvi h GLU 2169CO 0.02 0.45 0.28 0.87 -0.73 0.00 0.00 179.01 179.90 1wvi h LYS 2170N 0.55 0.92 0.00 1.92 1.79 -0.69 0.56 116.57 121.63 1wvi h LYS 2170Ca 0.15 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1wvi h LYS 2170Cb 0.02 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 1wvi h LYS 2170CO -0.03 0.76 -0.47 0.00 -1.08 0.00 0.00 179.45 178.63 1wvi h ALA 2171N 1.12 1.17 0.00 3.86 0.00 -0.88 -3.31 119.26 121.21 1wvi h ALA 2171Ca 0.21 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wvi h ALA 2171Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wvi h ALA 2171CO -0.02 0.59 -1.28 0.25 0.00 0.00 0.00 179.25 178.79 1wvi n THR 2172N -3.90 0.00 -1.09 0.00 -2.24 -0.13 -5.00 114.28 101.92 1wvi n THR 2172Ca -0.01 -0.27 -0.03 0.00 -2.27 0.00 0.00 64.05 61.47 1wvi n THR 2172Cb 0.50 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1wvi n THR 2172CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wvi n ARG 2173N -1.74 -0.82 -4.62 -0.78 1.74 0.20 -4.96 116.66 105.67 1wvi n ARG 2173Ca -0.01 0.43 -0.33 0.00 -0.77 0.00 0.00 57.85 57.17 1wvi n ARG 2173Cb 0.29 -4.19 -0.14 0.00 -1.02 0.00 0.00 32.46 27.40 1wvi n ARG 2173CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wvi s VAL 2174N -1.82 3.06 -0.00 1.55 -7.23 -1.23 -5.04 120.40 109.68 1wvi s VAL 2174Ca 0.00 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1wvi s VAL 2174Cb 0.00 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1wvi s VAL 2174CO 0.00 0.51 1.15 -0.54 -0.31 0.00 0.00 175.10 175.91 1wvi s LYS 2175N 0.56 4.42 0.43 4.82 -0.14 -1.26 -4.42 119.74 124.14 1wvi s LYS 2175Ca -0.08 1.65 -0.23 0.00 -1.36 0.00 0.00 55.97 55.95 1wvi s LYS 2175Cb -0.16 -3.46 -0.09 0.00 -1.68 0.00 0.00 37.83 32.45 1wvi s LYS 2175CO 0.03 -0.29 1.05 -1.25 -0.76 0.00 0.00 175.35 174.13 1wvi s PRO 2176N 1.55 4.04 -0.28 -1.68 0.04 -1.26 -4.94 135.00 132.46 1wvi s PRO 2176Ca 0.56 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 1wvi s PRO 2176Cb -0.25 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 1wvi s PRO 2176CO 0.26 -0.24 0.82 -1.50 0.04 0.00 0.00 177.00 176.38 1wvi s ILE 2177N -1.77 4.79 -0.20 0.56 1.10 -0.26 -4.82 121.20 120.60 1wvi s ILE 2177Ca 0.61 1.37 -0.11 0.00 -0.51 0.00 0.00 60.65 62.01 1wvi s ILE 2177Cb -0.20 -4.16 -0.05 0.00 0.15 0.00 0.00 42.46 38.20 1wvi s ILE 2177CO 0.25 -0.20 0.18 -0.63 -2.11 0.00 0.00 174.94 172.43 1wvi s ILE 2178N 2.97 5.37 -0.16 2.00 1.01 -1.26 -0.87 121.20 130.26 1wvi s ILE 2178Ca 0.34 0.28 -0.23 0.00 0.00 0.00 0.00 60.65 61.04 1wvi s ILE 2178Cb -0.14 -3.52 -0.20 0.00 0.01 0.00 0.00 42.46 38.61 1wvi s ILE 2178CO 0.11 0.40 0.48 0.40 0.00 0.00 0.00 174.94 176.33 1wvi h ILE 2179N 4.77 1.26 -3.27 2.92 1.08 -1.29 -3.44 117.51 119.55 1wvi h ILE 2179Ca -0.40 -2.09 -0.43 0.00 -0.39 0.00 0.00 64.86 61.55 1wvi h ILE 2179Cb 1.16 2.52 0.21 0.00 -3.07 0.00 0.00 36.82 37.64 1wvi h ILE 2179CO 0.73 0.43 0.01 -0.83 -0.69 0.00 0.00 178.15 177.80 1wvi s GLY 2180N -4.34 1.52 0.38 5.37 0.00 0.95 -2.21 107.32 109.00 1wvi s GLY 2180Ca -0.20 -0.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 1wvi s GLY 2180CO 0.56 0.46 1.33 0.28 0.00 0.00 0.00 173.10 175.73 1wvi n LYS 2181N -4.98 2.18 -0.59 2.90 5.02 -1.26 -0.34 118.16 121.08 1wvi n LYS 2181Ca 0.04 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1wvi n LYS 2181Cb 0.56 -2.43 0.22 0.00 -0.02 0.00 0.00 35.03 33.36 1wvi n LYS 2181CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1wvi n PRO 2182N 0.32 3.05 -1.49 1.97 -0.04 -1.25 -4.49 135.00 133.07 1wvi n PRO 2182Ca 0.05 -1.90 -0.30 0.00 -0.04 0.00 0.00 63.50 61.30 1wvi n PRO 2182Cb 0.38 -1.92 0.09 0.00 -0.04 0.00 0.00 33.50 32.02 1wvi n PRO 2182CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wvi s GLU 2183N -2.06 2.05 0.13 0.54 0.41 0.53 -4.44 118.70 115.87 1wvi s GLU 2183Ca 0.34 0.73 -0.18 0.00 -0.41 0.00 0.00 54.97 55.44 1wvi s GLU 2183Cb 0.26 -1.91 -0.04 0.00 -1.78 0.00 0.00 34.13 30.67 1wvi s GLU 2183CO 0.09 -1.66 1.76 0.00 -0.49 0.00 0.00 175.26 174.96 1wvi h ALA 2184N -1.12 0.36 -0.27 5.21 0.00 -1.85 -3.30 119.26 118.29 1wvi h ALA 2184Ca -0.47 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1wvi h ALA 2184Cb 1.26 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1wvi h ALA 2184CO 0.58 -0.14 -0.07 0.28 0.00 0.00 0.00 179.25 179.89 1wvi h VAL 2185N 0.37 0.72 -0.37 0.00 2.07 -1.85 0.22 116.25 117.40 1wvi h VAL 2185Ca 0.10 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 1wvi h VAL 2185Cb 0.00 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1wvi h VAL 2185CO -0.02 0.00 -0.05 -0.29 0.02 0.00 0.00 177.57 177.23 1wvi h ILE 2186N -0.01 1.23 -0.34 4.57 2.10 -1.56 -1.64 117.51 121.86 1wvi h ILE 2186Ca 0.13 -0.97 -0.17 0.00 1.08 0.00 0.00 64.86 64.93 1wvi h ILE 2186Cb 0.20 1.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 1wvi h ILE 2186CO -0.28 0.33 -0.45 0.24 -1.08 0.00 0.00 178.15 176.91 1wvi h MET 2187N 0.58 0.90 -0.25 2.19 2.86 -1.44 -0.79 114.93 118.97 1wvi h MET 2187Ca 0.11 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1wvi h MET 2187Cb 0.45 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1wvi h MET 2187CO 0.02 1.16 0.13 -0.91 1.06 0.00 0.00 176.91 178.37 1wvi h ASN 2188N 0.70 0.32 -0.45 1.22 -0.26 -0.34 -0.12 115.58 116.66 1wvi h ASN 2188Ca 0.04 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.56 1wvi h ASN 2188Cb 1.05 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 1wvi h ASN 2188CO 0.11 0.35 -0.14 0.11 -1.06 0.00 0.00 177.43 176.79 1wvi h LYS 2189N 0.28 0.89 -0.67 0.81 1.79 -1.30 -0.37 116.57 118.00 1wvi h LYS 2189Ca 0.09 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 1wvi h LYS 2189Cb 0.10 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1wvi h LYS 2189CO -0.01 1.00 0.37 0.00 -1.08 0.00 0.00 179.45 179.73 1wvi h ALA 2190N 0.86 0.86 -0.82 3.86 0.00 -1.02 -0.66 119.26 122.34 1wvi h ALA 2190Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wvi h ALA 2190Cb 0.70 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1wvi h ALA 2190CO 0.05 0.37 0.52 1.25 0.00 0.00 0.00 179.25 181.44 1wvi h LEU 2191N 0.92 0.96 -0.37 0.00 6.46 -0.76 0.29 115.31 122.81 1wvi h LEU 2191Ca 0.24 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1wvi h LEU 2191Cb 0.04 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 1wvi h LEU 2191CO -0.04 0.72 0.11 -0.78 -0.62 0.00 0.00 178.44 177.83 1wvi h ASP 2192N 1.12 0.54 0.33 1.25 1.82 -0.06 -2.32 116.42 119.10 1wvi h ASP 2192Ca 0.30 -0.21 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 1wvi h ASP 2192Cb -0.09 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 1wvi h ASP 2192CO -0.06 0.61 -0.37 0.03 -1.61 0.00 0.00 179.24 177.84 1wvi h ARG 2193N 0.44 0.05 0.00 0.28 3.08 -0.59 -2.32 114.38 115.33 1wvi h ARG 2193Ca 0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1wvi h ARG 2193Cb 0.26 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1wvi h ARG 2193CO -0.00 0.41 -0.13 1.25 -1.07 0.00 0.00 179.97 180.43 1wvi h LEU 2194N 0.05 0.00 0.89 3.04 5.85 -0.42 -3.47 115.31 121.26 1wvi h LEU 2194Ca 0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1wvi h LEU 2194Cb 0.67 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1wvi h LEU 2194CO 0.05 0.13 -0.21 0.61 -0.34 0.00 0.00 178.44 178.68 1wvi n GLY 2195N -1.09 0.54 3.38 3.75 0.00 -0.87 -4.83 105.19 106.07 1wvi n GLY 2195Ca -0.03 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 1wvi n GLY 2195CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wvi s VAL 2196N -2.41 1.65 0.51 1.61 1.01 -1.26 -5.11 120.40 116.41 1wvi s VAL 2196Ca 0.00 -2.16 -0.19 0.00 0.00 0.00 0.00 61.98 59.63 1wvi s VAL 2196Cb 0.00 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 1wvi s VAL 2196CO 0.00 -0.46 1.03 -0.54 0.00 0.00 0.00 175.10 175.13 1wvi s LYS 2197N -3.69 3.74 0.23 2.72 1.02 -1.26 -4.85 119.74 117.65 1wvi s LYS 2197Ca 0.26 1.26 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 1wvi s LYS 2197Cb 0.02 -2.09 0.38 0.00 -0.52 0.00 0.00 37.83 35.61 1wvi s LYS 2197CO 0.09 -0.47 1.66 -0.09 -0.92 0.00 0.00 175.35 175.62 1wvi h ARG 2198N 1.25 0.14 0.00 1.68 2.43 -1.95 0.11 114.38 118.04 1wvi h ARG 2198Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1wvi h ARG 2198Cb 1.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1wvi h ARG 2198CO 0.59 0.10 0.00 -2.39 -1.51 0.00 0.00 179.97 176.76 1wvi n HIS 2199N -5.27 0.00 1.00 2.20 1.44 -1.26 -2.34 115.22 110.98 1wvi n HIS 2199Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.93 1wvi n HIS 2199Cb 0.41 -0.21 -0.03 0.00 0.12 0.00 0.00 29.99 30.29 1wvi n HIS 2199CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1wvi n GLU 2200N -1.21 0.98 -3.33 -1.40 1.02 0.35 -4.97 120.64 112.08 1wvi n GLU 2200Ca 0.12 -0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 56.27 1wvi n GLU 2200Cb 0.14 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1wvi n GLU 2200CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wvi s ALA 2201N -2.58 4.32 -0.13 0.62 0.00 -0.99 -0.67 121.76 122.33 1wvi s ALA 2201Ca 0.16 -1.55 -0.10 0.00 0.00 0.00 0.00 51.96 50.48 1wvi s ALA 2201Cb 0.18 -1.63 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1wvi s ALA 2201CO 0.63 -0.12 0.33 -1.50 0.00 0.00 0.00 175.76 175.10 1wvi s ILE 2202N -2.24 -0.01 -0.21 0.00 2.07 -1.00 -3.91 121.20 115.90 1wvi s ILE 2202Ca 0.48 0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 59.62 1wvi s ILE 2202Cb -0.09 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 1wvi s ILE 2202CO 0.31 0.02 0.36 -0.32 -1.91 0.00 0.00 174.94 173.41 1wvi s MET 2203N 0.62 4.15 -0.19 3.50 -2.45 0.28 -1.07 119.30 124.14 1wvi s MET 2203Ca -0.04 0.12 -0.03 0.00 -1.25 0.00 0.00 55.69 54.49 1wvi s MET 2203Cb -0.05 -3.55 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 1wvi s MET 2203CO -0.04 -0.04 -0.05 0.08 1.05 0.00 0.00 175.02 176.02 1wvi s VAL 2204N 1.34 3.52 0.35 10.11 1.01 0.20 -0.84 120.40 136.08 1wvi s VAL 2204Ca 0.17 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1wvi s VAL 2204Cb -0.15 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1wvi s VAL 2204CO 0.08 0.46 0.81 -0.83 0.00 0.00 0.00 175.10 175.61 1wvi s GLY 2205N 0.96 0.28 -0.01 4.51 0.00 -0.79 -1.00 107.32 111.27 1wvi s GLY 2205Ca -0.00 -0.64 0.08 0.00 0.00 0.00 0.00 44.72 44.16 1wvi s GLY 2205CO 0.01 0.01 0.25 2.09 0.00 0.00 0.00 173.10 175.46 1wvi n ASP 2206N -1.27 1.94 -4.39 1.64 5.75 -1.26 -0.96 116.55 117.99 1wvi n ASP 2206Ca -0.07 -0.30 -0.39 0.00 -0.01 0.00 0.00 54.79 54.02 1wvi n ASP 2206Cb 0.60 1.21 -0.12 0.00 -1.03 0.00 0.00 41.12 41.79 1wvi n ASP 2206CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1wvi s ASN 2207N -2.43 5.55 0.12 -1.12 3.84 -1.26 -2.36 114.94 117.28 1wvi s ASN 2207Ca -0.00 -0.75 -0.23 0.00 0.21 0.00 0.00 52.86 52.08 1wvi s ASN 2207Cb 0.06 -1.99 -0.06 0.00 -0.55 0.00 0.00 41.25 38.71 1wvi s ASN 2207CO 0.34 -0.27 1.69 0.22 -2.79 0.00 0.00 177.10 176.28 1wvi h TYR 2208N 8.36 -0.30 -0.80 0.43 3.20 -1.94 0.65 116.97 126.58 1wvi h TYR 2208Ca -0.29 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.55 1wvi h TYR 2208Cb 1.12 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 1wvi h TYR 2208CO 0.61 -0.18 0.32 1.25 -1.64 0.00 0.00 178.16 178.52 1wvi h LEU 2209N -0.18 1.10 0.10 2.82 5.85 -1.96 -0.55 115.31 122.49 1wvi h LEU 2209Ca 0.06 -0.18 -0.37 0.00 0.84 0.00 0.00 57.88 58.24 1wvi h LEU 2209Cb 0.26 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1wvi h LEU 2209CO -0.15 0.98 -2.06 0.35 -0.34 0.00 0.00 178.44 177.21 1wvi n THR 2210N -4.28 1.73 -0.12 1.05 -2.24 -1.18 -4.22 114.28 105.02 1wvi n THR 2210Ca 0.07 -0.62 -0.24 0.00 -2.27 0.00 0.00 64.05 60.99 1wvi n THR 2210Cb 0.19 -1.69 -0.10 0.00 -2.10 0.00 0.00 70.33 66.62 1wvi n THR 2210CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wvi n ASP 2211N -3.48 1.89 -0.10 3.42 8.00 0.20 -3.71 116.55 122.77 1wvi n ASP 2211Ca -0.34 0.40 -0.13 0.00 0.71 0.00 0.00 54.79 55.43 1wvi n ASP 2211Cb 1.03 -0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 1wvi n ASP 2211CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1wvi h ILE 2212N -1.00 1.30 -0.21 0.53 1.08 -1.26 -2.56 117.51 115.38 1wvi h ILE 2212Ca -0.46 -1.40 -0.03 0.00 -0.39 0.00 0.00 64.86 62.59 1wvi h ILE 2212Cb 1.38 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1wvi h ILE 2212CO -0.28 0.45 -0.01 0.74 -0.69 0.00 0.00 178.15 178.36 1wvi h THR 2213N 0.48 1.14 -0.74 -0.27 2.02 -1.28 -0.25 112.91 114.01 1wvi h THR 2213Ca 0.06 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1wvi h THR 2213Cb 0.80 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 1wvi h THR 2213CO 0.06 0.19 0.47 0.00 0.37 0.00 0.00 175.52 176.61 1wvi h ALA 2214N 1.69 1.44 0.31 6.16 0.00 -1.55 0.56 119.26 127.88 1wvi h ALA 2214Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wvi h ALA 2214Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wvi h ALA 2214CO 0.01 0.50 -0.15 0.78 0.00 0.00 0.00 179.25 180.39 1wvi h GLY 2215N 1.02 -0.44 -0.09 0.00 0.00 -0.78 -3.00 103.07 99.78 1wvi h GLY 2215Ca 0.27 0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1wvi h GLY 2215CO -0.05 -0.16 -0.38 -2.22 0.00 0.00 0.00 176.54 173.73 1wvi h ILE 2216N -1.10 0.18 -0.56 2.60 2.04 -1.12 0.18 117.51 119.73 1wvi h ILE 2216Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1wvi h ILE 2216Cb 0.35 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1wvi h ILE 2216CO 0.07 0.00 0.38 0.50 0.00 0.00 0.00 178.15 179.10 1wvi h LYS 2217N -0.37 0.38 -0.43 2.37 3.64 -1.03 -2.57 116.57 118.56 1wvi h LYS 2217Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1wvi h LYS 2217Cb 0.58 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1wvi h LYS 2217CO -0.47 0.25 0.00 0.09 -2.27 0.00 0.00 179.45 177.05 1wvi n ASN 2218N -4.47 4.26 -3.50 4.20 3.02 -0.70 -4.97 115.26 113.09 1wvi n ASN 2218Ca 0.09 -2.67 -0.19 0.00 -0.03 0.00 0.00 54.58 51.78 1wvi n ASN 2218Cb 0.35 -0.52 0.07 0.00 -0.61 0.00 0.00 39.78 39.06 1wvi n ASN 2218CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1wvi n ASP 2219N 0.29 -2.52 -4.03 6.41 2.03 -0.07 -5.01 116.55 113.64 1wvi n ASP 2219Ca 0.22 -0.71 -0.22 0.00 0.52 0.00 0.00 54.79 54.60 1wvi n ASP 2219Cb 0.86 -4.73 -0.16 0.00 -0.72 0.00 0.00 41.12 36.37 1wvi n ASP 2219CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wvi s ILE 2220N -3.47 0.96 0.75 5.18 1.01 0.45 -4.75 121.20 121.34 1wvi s ILE 2220Ca 0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1wvi s ILE 2220Cb -0.02 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.61 1wvi s ILE 2220CO 0.76 0.29 0.88 0.00 0.00 0.00 0.00 174.94 176.88 1wvi n ALA 2221N 3.33 -0.60 -2.75 9.38 0.00 -1.25 -3.70 120.51 124.92 1wvi n ALA 2221Ca -0.19 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1wvi n ALA 2221Cb 0.54 -2.07 -0.13 0.00 0.00 0.00 0.00 19.45 17.79 1wvi n ALA 2221CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wvi s THR 2222N -1.92 0.65 -0.21 0.00 -4.23 -1.26 -0.55 115.64 108.11 1wvi s THR 2222Ca 0.71 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1wvi s THR 2222Cb -0.33 -0.60 0.05 0.00 1.34 0.00 0.00 72.50 72.97 1wvi s THR 2222CO 0.53 -0.02 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.32 1wvi s LEU 2223N -0.73 2.15 -0.23 4.79 0.20 -0.02 -1.67 118.68 123.17 1wvi s LEU 2223Ca -0.01 -0.98 -0.10 0.00 0.69 0.00 0.00 54.13 53.74 1wvi s LEU 2223Cb -0.06 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.60 1wvi s LEU 2223CO 0.00 -0.22 0.14 -0.22 -0.29 0.00 0.00 176.35 175.76 1wvi s LEU 2224N 1.50 4.05 -0.24 -0.68 1.98 0.06 -1.89 118.68 123.47 1wvi s LEU 2224Ca -0.03 0.10 -0.08 0.00 -2.89 0.00 0.00 54.13 51.23 1wvi s LEU 2224Cb -0.17 -2.08 -0.03 0.00 0.66 0.00 0.00 46.19 44.57 1wvi s LEU 2224CO -0.07 0.08 0.08 -0.69 -1.89 0.00 0.00 176.35 173.86 1wvi s VAL 2225N 0.94 4.47 -2.00 1.68 1.01 -0.13 -0.74 120.40 125.62 1wvi s VAL 2225Ca 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1wvi s VAL 2225Cb -0.13 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1wvi s VAL 2225CO 0.03 0.35 0.33 0.35 0.00 0.00 0.00 175.10 176.16 1wvi n THR 2226N 4.75 0.00 -1.70 3.92 -2.24 0.20 -4.37 114.28 114.84 1wvi n THR 2226Ca -0.16 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 1wvi n THR 2226Cb 0.52 -0.70 0.18 0.00 -2.10 0.00 0.00 70.33 68.22 1wvi n THR 2226CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wvi n THR 2227N -0.74 0.00 -4.16 4.28 5.66 -1.26 -4.22 114.28 113.84 1wvi n THR 2227Ca 0.01 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1wvi n THR 2227Cb 0.00 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.23 1wvi n THR 2227CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wvi n GLY 2228N -2.44 0.90 0.00 1.09 0.00 -1.22 -4.32 105.19 99.20 1wvi n GLY 2228Ca 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1wvi n GLY 2228CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wvi n PHE 2229N 0.00 0.00 -1.98 1.61 7.35 -1.26 -4.29 117.46 118.88 1wvi n PHE 2229Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1wvi n PHE 2229Cb 0.00 -0.36 -0.03 0.00 0.35 0.00 0.00 39.48 39.45 1wvi n PHE 2229CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wvi s THR 2230N -2.67 3.41 0.59 -2.13 2.01 -0.99 -4.98 115.64 110.88 1wvi s THR 2230Ca 0.00 0.36 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 1wvi s THR 2230Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1wvi s THR 2230CO 0.00 -0.56 1.19 -0.54 -0.69 0.00 0.00 174.62 174.02 1wvi s LYS 2231N 6.30 3.01 0.59 4.92 1.02 -1.26 -4.53 119.74 129.79 1wvi s LYS 2231Ca 0.77 1.77 0.30 0.00 0.02 0.00 0.00 55.97 58.83 1wvi s LYS 2231Cb -0.19 -1.94 1.83 0.00 -0.52 0.00 0.00 37.83 37.02 1wvi s LYS 2231CO 0.29 -1.16 2.26 -1.00 -0.92 0.00 0.00 175.35 174.81 1wvi h PRO 2232N 0.88 0.00 0.00 -1.68 0.13 -1.94 -1.98 132.00 127.41 1wvi h PRO 2232Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1wvi h PRO 2232Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wvi h PRO 2232CO 0.55 0.00 -0.27 0.93 -0.23 0.00 0.00 178.00 178.98 1wvi h GLU 2233N 0.00 0.00 0.00 0.86 3.07 -1.97 -3.20 114.58 113.34 1wvi h GLU 2233Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wvi h GLU 2233Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1wvi h GLU 2233CO -0.00 0.27 0.00 0.93 -1.40 0.00 0.00 179.01 178.81 1wvi h GLU 2234N 0.00 0.00 -0.95 2.33 5.08 -1.72 -3.36 114.58 115.96 1wvi h GLU 2234Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wvi h GLU 2234Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1wvi h GLU 2234CO 0.04 0.00 0.58 -0.39 -1.00 0.00 0.00 179.01 178.24 1wvi h VAL 2235N 0.00 1.26 -0.01 3.13 -1.51 -1.62 -2.74 116.25 114.76 1wvi h VAL 2235Ca 0.00 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1wvi h VAL 2235Cb 0.76 -0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1wvi h VAL 2235CO 0.00 0.27 -0.01 -0.65 -1.23 0.00 0.00 177.57 175.95 1wvi h PRO 2236N 1.31 0.01 -0.00 5.19 0.11 -1.81 -2.16 132.00 134.64 1wvi h PRO 2236Ca 0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1wvi h PRO 2236Cb -0.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1wvi h PRO 2236CO -0.07 0.03 -0.11 0.00 -0.21 0.00 0.00 178.00 177.64 1wvi n ALA 2237N -2.53 2.77 -1.75 -0.75 0.00 -1.04 -4.92 120.51 112.29 1wvi n ALA 2237Ca -0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.72 1wvi n ALA 2237Cb 0.10 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1wvi n ALA 2237CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wvi n LEU 2238N -0.89 4.49 -0.17 0.00 4.77 -0.81 -4.91 117.00 119.48 1wvi n LEU 2238Ca 0.15 1.18 -0.00 0.00 -0.03 0.00 0.00 56.01 57.31 1wvi n LEU 2238Cb 0.28 -1.60 0.24 0.00 -2.33 0.00 0.00 43.42 40.01 1wvi n LEU 2238CO 0.23 0.12 1.14 1.55 -1.33 0.00 0.00 177.39 179.11 1wvi h PRO 2239N 3.96 0.89 -4.09 3.23 0.13 -1.91 -3.40 132.00 130.82 1wvi h PRO 2239Ca -0.48 -0.10 -0.49 0.00 -0.87 0.00 0.00 66.00 64.06 1wvi h PRO 2239Cb 1.23 -0.18 -0.37 0.00 0.13 0.00 0.00 31.00 31.82 1wvi h PRO 2239CO 0.72 0.66 -0.79 0.42 -0.23 0.00 0.00 178.00 178.78 1wvi s ILE 2240N -5.59 0.82 0.29 -3.56 -1.09 -1.26 -5.13 121.20 105.68 1wvi s ILE 2240Ca -0.10 -0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 57.85 1wvi s ILE 2240Cb 0.17 -0.87 -0.10 0.00 -1.58 0.00 0.00 42.46 40.09 1wvi s ILE 2240CO 0.78 0.33 1.13 -1.10 -1.23 0.00 0.00 174.94 174.86 1wvi s GLN 2241N 1.65 4.59 0.98 2.79 -1.52 -1.26 -5.01 119.66 121.88 1wvi s GLN 2241Ca 0.02 1.88 -0.12 0.00 -1.95 0.00 0.00 55.36 55.19 1wvi s GLN 2241Cb -0.13 -3.17 0.18 0.00 -0.22 0.00 0.00 33.01 29.67 1wvi s GLN 2241CO -0.06 0.14 1.09 -1.25 -0.25 0.00 0.00 175.29 174.96 1wvi s PRO 2242N -1.51 0.58 0.34 2.91 0.04 -1.26 -4.90 135.00 131.20 1wvi s PRO 2242Ca 0.45 0.62 0.07 0.00 0.04 0.00 0.00 61.00 62.18 1wvi s PRO 2242Cb -0.33 -1.75 0.63 0.00 0.04 0.00 0.00 34.50 33.09 1wvi s PRO 2242CO 0.43 -2.66 1.84 -0.44 0.04 0.00 0.00 177.00 176.22 1wvi h ASP 2243N -1.84 0.33 -4.23 6.66 5.19 -1.86 -3.44 116.42 117.23 1wvi h ASP 2243Ca -0.53 -0.08 -0.20 0.00 -0.62 0.00 0.00 57.03 55.59 1wvi h ASP 2243Cb 1.32 -0.09 -0.25 0.00 0.18 0.00 0.00 39.33 40.49 1wvi h ASP 2243CO 0.56 0.52 -0.68 -0.36 -3.12 0.00 0.00 179.24 176.17 1wvi s PHE 2244N -4.65 0.07 -0.07 4.55 0.08 -0.67 -5.02 117.98 112.26 1wvi s PHE 2244Ca -0.06 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1wvi s PHE 2244Cb 0.15 -0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.56 1wvi s PHE 2244CO 0.76 -0.09 -0.08 0.08 -0.10 0.00 0.00 175.22 175.78 1wvi s VAL 2245N -0.56 0.89 0.05 -0.44 1.01 -1.26 -0.76 120.40 119.33 1wvi s VAL 2245Ca -0.06 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1wvi s VAL 2245Cb -0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1wvi s VAL 2245CO -0.00 0.32 -0.10 -0.76 0.00 0.00 0.00 175.10 174.56 1wvi s LEU 2246N 1.13 2.25 0.27 3.92 1.43 0.08 -4.98 118.68 122.77 1wvi s LEU 2246Ca -0.07 -0.55 0.18 0.00 -1.03 0.00 0.00 54.13 52.67 1wvi s LEU 2246Cb -0.14 -0.30 0.08 0.00 0.03 0.00 0.00 46.19 45.86 1wvi s LEU 2246CO -0.01 -0.14 1.31 0.77 0.23 0.00 0.00 176.35 178.50 1wvi h SER 2247N 4.50 0.00 -4.07 2.29 4.64 -1.95 0.58 113.55 119.55 1wvi h SER 2247Ca -0.37 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.82 1wvi h SER 2247Cb 1.20 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 1wvi h SER 2247CO 0.41 0.32 -0.27 -0.55 -0.87 0.00 0.00 176.83 175.87 1wvi s SER 2248N -6.11 -0.36 0.63 4.97 0.15 -1.26 -4.38 113.70 107.34 1wvi s SER 2248Ca 0.03 0.64 0.39 0.00 0.70 0.00 0.00 55.95 57.71 1wvi s SER 2248Cb 0.07 0.69 2.14 0.00 -1.71 0.00 0.00 66.02 67.21 1wvi s SER 2248CO 0.75 -0.19 2.29 -0.07 1.20 0.00 0.00 173.24 177.22 1wvi h LEU 2249N 5.24 0.00 -2.42 3.45 -0.00 -1.89 -0.94 115.31 118.76 1wvi h LEU 2249Ca -0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1wvi h LEU 2249Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1wvi h LEU 2249CO 0.29 0.01 -0.02 0.00 -0.00 0.00 0.00 178.44 178.73 1wvi h ALA 2250N 1.99 1.47 0.00 1.53 0.00 -1.96 -0.87 119.26 121.43 1wvi h ALA 2250Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wvi h ALA 2250Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1wvi h ALA 2250CO 0.00 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.66 1wvi n GLU 2251N -3.79 0.16 -2.52 0.00 1.02 -0.36 -4.80 120.64 110.36 1wvi n GLU 2251Ca -0.03 0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.97 1wvi n GLU 2251Cb 0.10 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.75 1wvi n GLU 2251CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1wvi s TRP 2252N -3.16 3.54 -0.22 -0.32 -0.11 -0.33 -5.03 118.94 113.31 1wvi s TRP 2252Ca 0.08 1.47 -0.01 0.00 1.22 0.00 0.00 56.10 58.86 1wvi s TRP 2252Cb 0.12 -3.31 0.02 0.00 -1.50 0.00 0.00 33.47 28.80 1wvi s TRP 2252CO 0.45 -0.79 -0.11 0.34 -4.62 0.00 0.00 176.95 172.23 1wvi s ASP 2253N 0.77 3.91 0.00 5.86 2.15 -1.26 -5.10 116.67 123.00 1wvi s ASP 2253Ca 0.55 -0.70 0.23 0.00 0.43 0.00 0.00 52.55 53.06 1wvi s ASP 2253Cb -0.27 -1.62 1.38 0.00 -0.30 0.00 0.00 42.92 42.11 1wvi s ASP 2253CO 0.30 -0.06 1.75 0.49 -0.17 0.00 0.00 175.17 177.48