#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u s GLN 1813N 0.00 1.87 0.57 0.38 -0.21 -1.26 -4.92 119.66 116.09 1a5u s GLN 1813Ca 0.00 1.45 0.08 0.00 0.02 0.00 0.00 55.36 56.91 1a5u s GLN 1813Cb 0.00 -1.83 0.08 0.00 1.00 0.00 0.00 33.01 32.26 1a5u s GLN 1813CO 0.00 -1.98 0.79 0.99 -2.12 0.00 0.00 175.29 172.97 1a5u s THR 1814N -2.55 2.30 -1.80 -0.19 2.01 -1.26 -4.32 115.64 109.83 1a5u s THR 1814Ca 0.67 -0.93 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 1a5u s THR 1814Cb -0.22 -2.37 0.21 0.00 0.01 0.00 0.00 72.50 70.13 1a5u s THR 1814CO 0.52 0.00 0.64 0.00 -0.69 0.00 0.00 174.62 175.10 1a5u n GLN 1815N -2.27 -1.44 -3.85 4.92 6.02 -0.83 0.37 117.38 120.29 1a5u n GLN 1815Ca 0.14 0.20 -0.30 0.00 -0.01 0.00 0.00 57.00 57.03 1a5u n GLN 1815Cb 0.61 -4.83 -0.01 0.00 1.02 0.00 0.00 30.24 27.03 1a5u n GLN 1815CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a5u n GLN 1816N -4.11 -3.39 0.25 -1.09 1.13 -1.26 -4.78 117.38 104.13 1a5u n GLN 1816Ca 0.11 0.41 0.13 0.00 -1.94 0.00 0.00 57.00 55.71 1a5u n GLN 1816Cb 0.46 -5.14 0.55 0.00 0.11 0.00 0.00 30.24 26.22 1a5u n GLN 1816CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a5u h LEU 1817N -1.30 0.00 -0.00 1.08 3.38 -0.38 0.78 115.31 118.86 1a5u h LEU 1817Ca -0.51 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1a5u h LEU 1817Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1a5u h LEU 1817CO 0.67 0.13 -0.00 -0.74 0.09 0.00 0.00 178.44 178.58 1a5u h HIS 1818N 0.00 0.01 0.00 1.13 2.76 -1.88 -2.33 115.15 114.84 1a5u h HIS 1818Ca -0.00 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1a5u h HIS 1818Cb 0.65 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 1a5u h HIS 1818CO 0.00 0.58 -0.03 0.00 -1.30 0.00 0.00 177.93 177.18 1a5u h ALA 1819N 0.42 1.22 0.00 5.26 0.00 -1.72 -1.19 119.26 123.26 1a5u h ALA 1819Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1a5u h ALA 1819Cb 0.58 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a5u h ALA 1819CO 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 179.25 179.18 1a5u h ALA 1820N 1.97 1.44 -0.01 0.00 0.00 -0.28 -2.09 119.26 120.29 1a5u h ALA 1820Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a5u h ALA 1820Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a5u h ALA 1820CO 0.00 0.14 -0.21 -1.33 0.00 0.00 0.00 179.25 177.85 1a5u n MET 1821N -3.86 0.76 -1.60 0.00 2.81 -0.45 -4.80 117.12 109.99 1a5u n MET 1821Ca -0.02 -0.39 -0.41 0.00 -1.81 0.00 0.00 57.70 55.06 1a5u n MET 1821Cb 0.21 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 1a5u n MET 1821CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5u n ALA 1822N -0.78 0.05 -0.02 3.04 0.00 -0.79 -4.88 120.51 117.14 1a5u n ALA 1822Ca 0.13 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.65 1a5u n ALA 1822Cb 0.32 -2.06 -0.14 0.00 0.00 0.00 0.00 19.45 17.57 1a5u n ALA 1822CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a5u n ASP 1823N 0.50 1.25 -4.54 0.00 8.00 -1.26 -4.90 116.55 115.60 1a5u n ASP 1823Ca 0.10 0.32 -0.25 0.00 0.71 0.00 0.00 54.79 55.67 1a5u n ASP 1823Cb 0.40 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 1a5u n ASP 1823CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1a5u s THR 1824N -2.58 2.92 0.17 -3.53 -1.32 -1.26 -5.03 115.64 105.01 1a5u s THR 1824Ca -0.11 -1.99 -0.10 0.00 -1.21 0.00 0.00 61.69 58.28 1a5u s THR 1824Cb 0.07 -2.49 0.05 0.00 -1.51 0.00 0.00 72.50 68.62 1a5u s THR 1824CO 0.80 -0.26 1.62 0.15 -2.21 0.00 0.00 174.62 174.72 1a5u h PHE 1825N 2.53 1.14 -0.42 9.09 3.57 -1.98 0.32 116.94 131.19 1a5u h PHE 1825Ca -0.44 -0.21 0.05 0.00 3.53 0.00 0.00 57.97 60.89 1a5u h PHE 1825Cb 1.23 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 1a5u h PHE 1825CO 0.71 1.03 0.17 1.25 -2.23 0.00 0.00 178.31 179.24 1a5u h LEU 1826N 0.92 0.21 -0.38 0.59 5.85 -2.00 -1.58 115.31 118.92 1a5u h LEU 1826Ca 0.16 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1a5u h LEU 1826Cb 0.60 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1a5u h LEU 1826CO 0.04 0.16 0.14 -0.08 -0.34 0.00 0.00 178.44 178.36 1a5u h GLU 1827N 0.35 0.58 -0.41 1.25 4.81 -1.91 -2.33 114.58 116.92 1a5u h GLU 1827Ca 0.19 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1a5u h GLU 1827Cb 0.15 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.35 1a5u h GLU 1827CO -0.17 0.56 -0.15 1.25 -0.73 0.00 0.00 179.01 179.77 1a5u h HIS 1828N 0.47 -0.36 -0.53 0.92 2.76 0.23 -1.84 115.15 116.80 1a5u h HIS 1828Ca 0.13 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 1a5u h HIS 1828Cb 0.21 0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.34 1a5u h HIS 1828CO 0.00 -0.23 0.25 1.98 -1.30 0.00 0.00 177.93 178.62 1a5u h MET 1829N -0.07 0.46 0.00 5.26 4.05 -1.06 -2.74 114.93 120.82 1a5u h MET 1829Ca 0.20 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 1a5u h MET 1829Cb 0.37 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1a5u h MET 1829CO -0.46 0.30 -0.19 0.00 0.23 0.00 0.00 176.91 176.80 1a5u n ARG 1831N -4.28 1.72 -2.20 0.00 1.74 -0.85 -4.88 116.66 107.91 1a5u n ARG 1831Ca -0.02 -1.07 -0.42 0.00 -0.77 0.00 0.00 57.85 55.56 1a5u n ARG 1831Cb 0.25 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1a5u n ARG 1831CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5u s LEU 1832N -1.67 4.34 -0.18 0.55 1.43 -1.06 -4.34 118.68 117.77 1a5u s LEU 1832Ca 0.34 2.21 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1a5u s LEU 1832Cb 0.18 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.86 1a5u s LEU 1832CO 0.28 -0.69 -0.16 -0.62 0.23 0.00 0.00 176.35 175.40 1a5u s ASP 1833N 1.56 3.10 0.12 2.29 -1.08 -1.26 -4.99 116.67 116.41 1a5u s ASP 1833Ca 0.64 -0.68 0.14 0.00 -0.52 0.00 0.00 52.55 52.13 1a5u s ASP 1833Cb -0.34 -1.33 0.63 0.00 -1.46 0.00 0.00 42.92 40.42 1a5u s ASP 1833CO 0.28 -0.06 1.42 2.30 0.52 0.00 0.00 175.17 179.64 1a5u n ILE 1834N 4.68 1.27 0.78 4.11 -5.35 -1.26 -1.08 119.36 122.51 1a5u n ILE 1834Ca -0.18 0.43 0.12 0.00 -0.27 0.00 0.00 62.75 62.85 1a5u n ILE 1834Cb 0.49 -1.34 0.22 0.00 -1.74 0.00 0.00 39.64 37.27 1a5u n ILE 1834CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a5u n ASP 1835N -1.82 2.90 -4.48 7.28 8.00 -1.26 -4.77 116.55 122.41 1a5u n ASP 1835Ca 0.01 -1.92 -0.43 0.00 0.71 0.00 0.00 54.79 53.16 1a5u n ASP 1835Cb 0.10 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1a5u n ASP 1835CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 1836N -1.73 6.27 0.05 -2.24 0.15 -0.24 -4.93 113.70 111.04 1a5u s SER 1836Ca 0.34 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 56.01 1a5u s SER 1836Cb 0.21 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1a5u s SER 1836CO 0.31 -1.02 0.94 0.00 1.20 0.00 0.00 173.24 174.67 1a5u s ALA 1837N 3.14 3.23 1.30 5.45 0.00 -1.26 -4.59 121.76 129.02 1a5u s ALA 1837Ca 0.21 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.50 1a5u s ALA 1837Cb -0.17 -3.26 0.27 0.00 0.00 0.00 0.00 23.12 19.97 1a5u s ALA 1837CO 0.15 -0.11 0.75 -0.35 0.00 0.00 0.00 175.76 176.20 1a5u n PRO 1838N 3.30 -3.57 -2.99 0.00 -0.04 -1.26 -1.96 135.00 128.47 1a5u n PRO 1838Ca 0.03 -1.23 -0.18 0.00 -0.04 0.00 0.00 63.50 62.08 1a5u n PRO 1838Cb 0.50 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1a5u n PRO 1838CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1a5u s ILE 1839N -2.16 2.67 0.06 0.52 -4.36 -1.26 -4.76 121.20 111.91 1a5u s ILE 1839Ca 0.53 -0.98 -0.22 0.00 -0.26 0.00 0.00 60.65 59.73 1a5u s ILE 1839Cb -0.08 -2.69 -0.13 0.00 1.25 0.00 0.00 42.46 40.81 1a5u s ILE 1839CO 0.43 0.00 1.51 0.74 0.24 0.00 0.00 174.94 177.86 1a5u h THR 1840N 0.43 1.23 -2.58 8.37 2.02 -1.95 -3.44 112.91 116.99 1a5u h THR 1840Ca -0.36 -0.74 -0.53 0.00 0.77 0.00 0.00 66.41 65.55 1a5u h THR 1840Cb 1.28 1.49 0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1a5u h THR 1840CO 0.44 0.21 1.08 0.00 0.37 0.00 0.00 175.52 177.62 1a5u s ALA 1841N -5.09 3.74 -0.32 6.16 0.00 -1.26 -5.00 121.76 119.98 1a5u s ALA 1841Ca -0.14 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 1a5u s ALA 1841Cb 0.05 -3.74 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1a5u s ALA 1841CO 0.70 -1.19 0.14 0.50 0.00 0.00 0.00 175.76 175.92 1a5u s ARG 1842N 2.71 3.08 0.21 0.00 3.00 -1.26 -4.90 118.95 121.78 1a5u s ARG 1842Ca 0.79 -0.89 0.08 0.00 -1.00 0.00 0.00 55.73 54.70 1a5u s ARG 1842Cb -0.44 -3.54 0.11 0.00 0.00 0.00 0.00 34.95 31.08 1a5u s ARG 1842CO 0.35 -0.52 1.47 -0.91 0.00 0.00 0.00 175.30 175.69 1a5u h ASN 1843N 8.33 0.06 -3.11 -2.12 -0.26 -1.94 -3.46 115.58 113.08 1a5u h ASN 1843Ca -0.29 -0.05 -0.56 0.00 -0.56 0.00 0.00 56.30 54.84 1a5u h ASN 1843Cb 1.12 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 38.34 1a5u h ASN 1843CO 0.62 0.81 0.69 -0.89 -1.06 0.00 0.00 177.43 177.61 1a5u s THR 1844N -3.28 4.42 0.24 2.81 2.01 -1.26 -0.42 115.64 120.17 1a5u s THR 1844Ca -0.01 1.73 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1a5u s THR 1844Cb 0.11 -4.11 -0.09 0.00 0.01 0.00 0.00 72.50 68.42 1a5u s THR 1844CO 0.79 -0.02 1.05 -0.83 -0.69 0.00 0.00 174.62 174.93 1a5u s GLY 1845N 1.41 3.04 -0.25 4.40 0.00 -0.77 -4.87 107.32 110.27 1a5u s GLY 1845Ca 0.53 0.80 -0.07 0.00 0.00 0.00 0.00 44.72 45.98 1a5u s GLY 1845CO 0.19 1.45 0.07 -0.42 0.00 0.00 0.00 173.10 174.40 1a5u s ILE 1846N -0.95 4.34 -0.30 0.90 1.01 -1.26 -0.96 121.20 123.98 1a5u s ILE 1846Ca 0.45 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.85 1a5u s ILE 1846Cb -0.30 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 1a5u s ILE 1846CO 0.37 0.34 0.12 -0.63 0.00 0.00 0.00 174.94 175.14 1a5u s ILE 1847N 1.59 4.32 -0.16 2.92 1.01 -0.66 0.34 121.20 130.56 1a5u s ILE 1847Ca 0.06 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1a5u s ILE 1847Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1a5u s ILE 1847CO 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 174.94 175.03 1a5u s THR 1849N 0.46 4.19 -0.13 0.00 2.01 -0.42 0.18 115.64 121.93 1a5u s THR 1849Ca -0.03 1.52 -0.11 0.00 0.31 0.00 0.00 61.69 63.37 1a5u s THR 1849Cb -0.14 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1a5u s THR 1849CO 0.03 -0.02 0.22 -0.63 -0.69 0.00 0.00 174.62 173.53 1a5u s ILE 1850N 2.39 5.36 0.00 1.82 -1.09 0.11 -3.19 121.20 126.60 1a5u s ILE 1850Ca 0.57 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 1a5u s ILE 1850Cb -0.25 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1a5u s ILE 1850CO 0.22 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 1a5u n GLY 1851N 2.71 3.52 0.29 6.18 0.00 -1.26 -4.74 105.19 111.90 1a5u n GLY 1851Ca -0.16 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1a5u n GLY 1851CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5u h PRO 1852N 0.00 0.07 0.00 1.61 0.11 -1.78 1.23 132.00 133.24 1a5u h PRO 1852Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1a5u h PRO 1852Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1a5u h PRO 1852CO 0.00 0.05 -0.13 0.00 -0.21 0.00 0.00 178.00 177.71 1a5u h ALA 1853N 1.77 0.99 0.00 -0.75 0.00 -0.72 -3.33 119.26 117.22 1a5u h ALA 1853Ca 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1a5u h ALA 1853Cb 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1a5u h ALA 1853CO -0.74 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 177.55 1a5u n SER 1854N -3.24 0.51 -0.19 0.00 3.41 0.15 -4.79 113.62 109.46 1a5u n SER 1854Ca 0.01 -0.76 0.13 0.00 -0.26 0.00 0.00 58.87 57.99 1a5u n SER 1854Cb 0.41 0.39 0.45 0.00 -0.26 0.00 0.00 64.21 65.20 1a5u n SER 1854CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a5u h ARG 1855N 0.00 0.52 -6.73 4.33 3.08 0.13 -3.36 114.38 112.35 1a5u h ARG 1855Ca 0.00 -0.03 -0.57 0.00 0.07 0.00 0.00 59.98 59.45 1a5u h ARG 1855Cb 0.03 -0.12 0.12 0.00 0.08 0.00 0.00 29.97 30.08 1a5u h ARG 1855CO 0.00 0.34 0.41 0.45 -1.07 0.00 0.00 179.97 180.10 1a5u n SER 1856N -4.50 2.29 -0.12 7.04 2.88 -1.26 -4.75 113.62 115.20 1a5u n SER 1856Ca 0.15 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.74 1a5u n SER 1856Cb 0.47 -1.45 -0.01 0.00 -0.75 0.00 0.00 64.21 62.47 1a5u n SER 1856CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1a5u h VAL 1857N 2.17 1.14 0.15 2.46 2.07 -1.88 0.76 116.25 123.13 1a5u h VAL 1857Ca -0.46 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1a5u h VAL 1857Cb 1.30 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1a5u h VAL 1857CO 0.60 0.15 -0.43 -0.08 0.02 0.00 0.00 177.57 177.83 1a5u h GLU 1858N 0.46 -0.66 0.28 1.57 4.81 -1.95 -1.42 114.58 117.67 1a5u h GLU 1858Ca 0.13 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1a5u h GLU 1858Cb 0.06 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1a5u h GLU 1858CO -0.02 -0.44 -0.41 1.15 -0.73 0.00 0.00 179.01 178.56 1a5u h THR 1859N -0.68 0.17 -0.73 0.32 2.02 -1.85 -0.02 112.91 112.15 1a5u h THR 1859Ca 0.01 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.40 1a5u h THR 1859Cb 0.70 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1a5u h THR 1859CO -0.23 0.00 0.80 -0.07 0.37 0.00 0.00 175.52 176.39 1a5u h LEU 1860N -0.75 0.00 -0.12 2.58 4.07 0.71 1.68 115.31 123.48 1a5u h LEU 1860Ca -0.01 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.73 1a5u h LEU 1860Cb 0.71 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 1a5u h LEU 1860CO -0.14 0.00 -0.99 0.11 -1.08 0.00 0.00 178.44 176.34 1a5u h LYS 1861N 0.00 0.14 -0.31 1.13 1.57 0.12 -2.93 116.57 116.29 1a5u h LYS 1861Ca 0.35 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1a5u h LYS 1861Cb 1.94 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 1a5u h LYS 1861CO -0.00 1.01 -0.18 0.93 -0.57 0.00 0.00 179.45 180.64 1a5u h GLU 1862N 0.06 0.66 -0.03 3.15 4.39 0.29 -2.80 114.58 120.30 1a5u h GLU 1862Ca -0.05 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.28 1a5u h GLU 1862Cb 1.68 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.30 1a5u h GLU 1862CO 0.15 0.89 -0.33 0.52 -1.16 0.00 0.00 179.01 179.08 1a5u h MET 1863N 0.41 0.06 0.10 2.33 2.86 -1.27 0.61 114.93 120.04 1a5u h MET 1863Ca 0.06 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1a5u h MET 1863Cb 0.71 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1a5u h MET 1863CO 0.05 0.39 -0.05 0.82 1.06 0.00 0.00 176.91 179.18 1a5u h ILE 1864N 0.06 1.11 -0.95 -1.22 2.04 -1.50 0.39 117.51 117.45 1a5u h ILE 1864Ca 0.01 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.09 1a5u h ILE 1864Cb 0.61 1.66 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 1a5u h ILE 1864CO 0.04 0.21 0.59 0.11 0.00 0.00 0.00 178.15 179.10 1a5u h LYS 1865N -0.54 0.96 0.00 2.37 1.57 -1.17 0.10 116.57 119.86 1a5u h LYS 1865Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a5u h LYS 1865Cb 0.44 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1a5u h LYS 1865CO 0.02 0.64 0.00 0.77 -0.57 0.00 0.00 179.45 180.31 1a5u h SER 1866N 0.99 0.00 0.00 0.86 0.02 -0.84 -3.47 113.55 111.11 1a5u h SER 1866Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1a5u h SER 1866Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1a5u h SER 1866CO -0.23 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 1a5u n GLY 1867N 0.18 0.76 3.71 -3.77 0.00 0.02 -4.29 105.19 101.80 1a5u n GLY 1867Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1a5u n GLY 1867CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a5u n MET 1868N 0.00 2.39 -0.05 1.61 0.00 0.13 -4.55 117.12 116.65 1a5u n MET 1868Ca 0.00 0.85 -0.05 0.00 -0.00 0.00 0.00 57.70 58.50 1a5u n MET 1868Cb 0.00 -2.56 -0.08 0.00 0.00 0.00 0.00 33.22 30.58 1a5u n MET 1868CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1a5u n ASN 1869N 1.92 2.50 -3.94 6.12 4.13 0.15 -4.69 115.26 121.45 1a5u n ASN 1869Ca 0.09 -0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.15 1a5u n ASN 1869Cb 0.35 0.70 -0.16 0.00 -1.54 0.00 0.00 39.78 39.13 1a5u n ASN 1869CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a5u s VAL 1870N -2.25 0.63 -0.27 2.41 1.01 -1.07 -1.51 120.40 119.35 1a5u s VAL 1870Ca -0.06 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 1a5u s VAL 1870Cb 0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1a5u s VAL 1870CO 0.41 0.22 0.49 0.00 0.00 0.00 0.00 175.10 176.23 1a5u s ALA 1871N 0.51 3.57 -0.23 5.51 0.00 0.12 -0.59 121.76 130.66 1a5u s ALA 1871Ca -0.07 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1a5u s ALA 1871Cb -0.11 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1a5u s ALA 1871CO 0.00 -0.78 0.09 0.50 0.00 0.00 0.00 175.76 175.58 1a5u s ARG 1872N 2.28 3.85 -0.21 0.00 3.52 0.47 -1.30 118.95 127.57 1a5u s ARG 1872Ca 0.20 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1a5u s ARG 1872Cb -0.16 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1a5u s ARG 1872CO 0.10 0.00 -0.05 -1.64 -0.81 0.00 0.00 175.30 172.89 1a5u s MET 1873N 1.14 3.39 -0.45 5.12 -1.94 -0.37 0.08 119.30 126.26 1a5u s MET 1873Ca 0.05 -0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 53.23 1a5u s MET 1873Cb -0.14 -2.96 0.04 0.00 2.01 0.00 0.00 34.83 33.78 1a5u s MET 1873CO 0.04 -0.13 0.45 1.21 -0.01 0.00 0.00 175.02 176.58 1a5u s ASN 1874N 1.30 6.18 0.00 3.03 3.84 -1.26 0.47 114.94 128.50 1a5u s ASN 1874Ca 0.04 -0.92 0.11 0.00 0.21 0.00 0.00 52.86 52.30 1a5u s ASN 1874Cb -0.14 -2.22 0.68 0.00 -0.55 0.00 0.00 41.25 39.02 1a5u s ASN 1874CO -0.02 -0.65 1.11 0.49 -2.79 0.00 0.00 177.10 175.23 1a5u n PHE 1875N 5.57 0.00 0.56 0.43 3.01 0.12 -1.42 117.46 125.74 1a5u n PHE 1875Ca -0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.50 1a5u n PHE 1875Cb 0.46 0.00 0.40 0.00 -0.01 0.00 0.00 39.48 40.33 1a5u n PHE 1875CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a5u h SER 1876N 0.00 0.00 -3.70 4.37 0.02 -1.82 -3.44 113.55 108.99 1a5u h SER 1876Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1a5u h SER 1876Cb 0.00 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.36 1a5u h SER 1876CO 0.00 0.00 -0.77 -1.00 -1.14 0.00 0.00 176.83 173.92 1a5u s HIS 1877N -3.14 1.67 0.00 3.45 3.76 -0.51 -4.95 115.29 115.58 1a5u s HIS 1877Ca 0.10 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1a5u s HIS 1877Cb 0.11 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.96 1a5u s HIS 1877CO 0.58 0.27 0.00 0.41 -0.85 0.00 0.00 174.74 175.15 1a5u n GLY 1878N 0.32 0.25 3.18 -2.22 0.00 -1.26 -4.82 105.19 100.63 1a5u n GLY 1878Ca -0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1a5u n GLY 1878CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5u s THR 1879N 0.00 0.05 0.24 2.61 -4.23 -1.26 -5.00 115.64 108.05 1a5u s THR 1879Ca 0.00 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.51 1a5u s THR 1879Cb 0.00 -2.27 0.20 0.00 1.34 0.00 0.00 72.50 71.78 1a5u s THR 1879CO 0.00 -0.23 1.80 0.45 -0.54 0.00 0.00 174.62 176.10 1a5u h HIS 1880N 2.74 0.81 -0.31 3.99 -0.00 -1.98 0.34 115.15 120.75 1a5u h HIS 1880Ca -0.35 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 59.86 1a5u h HIS 1880Cb 1.22 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 28.39 1a5u h HIS 1880CO 0.39 0.33 -0.52 1.05 -0.00 0.00 0.00 177.93 179.18 1a5u h GLU 1881N 0.75 0.90 -0.58 2.45 4.11 -1.98 0.85 114.58 121.08 1a5u h GLU 1881Ca 0.38 -0.56 0.11 0.00 0.07 0.00 0.00 59.36 59.37 1a5u h GLU 1881Cb 0.35 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1a5u h GLU 1881CO -0.25 1.20 0.10 -0.92 0.07 0.00 0.00 179.01 179.21 1a5u h TYR 1882N 0.70 0.16 -0.42 2.06 5.03 -1.49 -0.63 116.97 122.38 1a5u h TYR 1882Ca 0.02 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.22 1a5u h TYR 1882Cb 1.13 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 1a5u h TYR 1882CO 0.07 -0.05 -0.32 0.45 -1.32 0.00 0.00 178.16 176.99 1a5u h HIS 1883N 0.23 1.12 -0.16 -3.82 3.86 -0.02 -2.21 115.15 114.15 1a5u h HIS 1883Ca 0.30 -0.31 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1a5u h HIS 1883Cb 0.45 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1a5u h HIS 1883CO -0.26 1.14 -0.24 0.00 0.86 0.00 0.00 177.93 179.42 1a5u h ALA 1884N 0.83 1.30 -0.01 2.45 0.00 0.13 -0.40 119.26 123.55 1a5u h ALA 1884Ca 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a5u h ALA 1884Cb 0.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1a5u h ALA 1884CO 0.08 0.47 0.00 1.49 0.00 0.00 0.00 179.25 181.30 1a5u h GLU 1885N 0.25 0.02 -0.81 0.00 4.57 -0.73 -1.85 114.58 116.04 1a5u h GLU 1885Ca 0.04 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1a5u h GLU 1885Cb 0.57 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 1a5u h GLU 1885CO 0.04 0.21 0.48 1.15 -1.18 0.00 0.00 179.01 179.71 1a5u h THR 1886N -0.17 0.96 -0.38 0.32 2.02 -1.09 -1.03 112.91 113.54 1a5u h THR 1886Ca 0.00 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1a5u h THR 1886Cb 0.20 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1a5u h THR 1886CO -0.00 0.15 0.22 0.40 0.37 0.00 0.00 175.52 176.66 1a5u h ILE 1887N 0.84 1.11 -0.17 3.11 5.03 -0.83 -0.77 117.51 125.83 1a5u h ILE 1887Ca 0.37 -0.27 -0.18 0.00 -0.12 0.00 0.00 64.86 64.66 1a5u h ILE 1887Cb 0.27 0.59 0.01 0.00 -3.03 0.00 0.00 36.82 34.66 1a5u h ILE 1887CO -0.21 0.12 -0.60 0.50 -0.68 0.00 0.00 178.15 177.28 1a5u h LYS 1888N 0.52 0.70 -0.85 2.37 3.64 -0.38 -2.30 116.57 120.26 1a5u h LYS 1888Ca 0.14 -0.53 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1a5u h LYS 1888Cb -0.00 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1a5u h LYS 1888CO -0.02 1.15 0.56 -0.91 -2.27 0.00 0.00 179.45 177.96 1a5u h ASN 1889N 0.40 0.96 0.22 4.20 -0.26 -0.44 1.25 115.58 121.90 1a5u h ASN 1889Ca -0.03 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 1a5u h ASN 1889Cb 1.23 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 38.26 1a5u h ASN 1889CO 0.13 0.69 -0.10 0.58 -1.06 0.00 0.00 177.43 177.66 1a5u h VAL 1890N 1.13 0.81 -0.88 2.81 2.07 -1.19 0.49 116.25 121.48 1a5u h VAL 1890Ca 0.32 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 1a5u h VAL 1890Cb -0.09 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1a5u h VAL 1890CO -0.08 0.02 0.55 0.03 0.02 0.00 0.00 177.57 178.11 1a5u h ARG 1891N -0.34 1.19 0.69 1.57 3.08 -0.95 0.29 114.38 119.91 1a5u h ARG 1891Ca -0.03 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1a5u h ARG 1891Cb 0.26 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1a5u h ARG 1891CO 0.05 0.82 -0.33 1.15 -1.07 0.00 0.00 179.97 180.59 1a5u h THR 1892N 1.21 0.30 -0.76 2.04 2.02 0.19 -1.10 112.91 116.82 1a5u h THR 1892Ca 0.32 -0.07 0.17 0.00 0.77 0.00 0.00 66.41 67.60 1a5u h THR 1892Cb -0.08 0.32 -0.11 0.00 -1.74 0.00 0.00 68.15 66.54 1a5u h THR 1892CO -0.06 0.01 0.18 0.00 0.37 0.00 0.00 175.52 176.02 1a5u h ALA 1893N -0.68 0.99 -0.15 6.16 0.00 0.41 -2.33 119.26 123.65 1a5u h ALA 1893Ca -0.09 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1a5u h ALA 1893Cb 0.72 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1a5u h ALA 1893CO 0.16 -0.35 0.05 1.15 0.00 0.00 0.00 179.25 180.26 1a5u h THR 1894N 0.26 1.16 0.00 0.00 2.02 -0.28 -3.08 112.91 112.99 1a5u h THR 1894Ca 0.43 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1a5u h THR 1894Cb 0.76 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1a5u h THR 1894CO -0.53 0.15 -0.08 -0.33 0.37 0.00 0.00 175.52 175.10 1a5u h GLU 1895N 0.07 0.00 0.00 6.66 4.39 -0.73 -2.84 114.58 122.13 1a5u h GLU 1895Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1a5u h GLU 1895Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1a5u h GLU 1895CO -0.00 0.08 0.13 -1.13 -1.16 0.00 0.00 179.01 176.93 1a5u n SER 1896N -3.29 0.34 -0.00 1.42 3.41 -0.92 0.31 113.62 114.88 1a5u n SER 1896Ca -0.01 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 1a5u n SER 1896Cb 0.28 -0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 63.55 1a5u n SER 1896CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1a5u n PHE 1897N -1.96 0.00 0.03 7.33 3.72 -1.07 -4.59 117.46 120.91 1a5u n PHE 1897Ca -0.01 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.61 1a5u n PHE 1897Cb 0.15 -0.20 0.63 0.00 -0.94 0.00 0.00 39.48 39.12 1a5u n PHE 1897CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a5u h ALA 1898N 0.97 2.29 -0.09 4.37 0.00 -0.20 -2.46 119.26 124.15 1a5u h ALA 1898Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 1898Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1a5u h ALA 1898CO 0.00 -0.97 -0.21 1.03 0.00 0.00 0.00 179.25 179.10 1a5u h SER 1899N 0.00 -0.67 -3.03 0.00 0.87 -1.81 -3.37 113.55 105.53 1a5u h SER 1899Ca 0.26 0.08 -0.57 0.00 -1.23 0.00 0.00 61.79 60.33 1a5u h SER 1899Cb 1.64 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 63.82 1a5u h SER 1899CO -0.00 -0.17 0.80 -0.62 -0.53 0.00 0.00 176.83 176.31 1a5u s ASP 1900N -3.49 7.05 0.00 6.23 -1.08 -0.93 -4.91 116.67 119.54 1a5u s ASP 1900Ca -0.06 1.59 0.11 0.00 -0.52 0.00 0.00 52.55 53.67 1a5u s ASP 1900Cb 0.03 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.59 1a5u s ASP 1900CO 0.23 -0.67 1.40 -2.65 0.52 0.00 0.00 175.17 174.01 1a5u n PRO 1901N 6.11 0.99 -0.00 4.34 -0.02 -1.26 -2.97 135.00 142.18 1a5u n PRO 1901Ca 0.12 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.63 1a5u n PRO 1901Cb 0.46 -1.17 -0.04 0.00 -0.02 0.00 0.00 33.50 32.73 1a5u n PRO 1901CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1a5u n ILE 1902N -0.67 0.00 -0.64 4.25 5.41 -1.26 -4.65 119.36 121.80 1a5u n ILE 1902Ca 0.08 -0.15 0.06 0.00 1.00 0.00 0.00 62.75 63.74 1a5u n ILE 1902Cb 0.04 0.45 0.12 0.00 -0.71 0.00 0.00 39.64 39.54 1a5u n ILE 1902CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1a5u n LEU 1903N -1.62 2.59 -4.71 1.39 4.77 -1.21 -4.87 117.00 113.34 1a5u n LEU 1903Ca -0.01 -2.63 -0.40 0.00 -0.03 0.00 0.00 56.01 52.95 1a5u n LEU 1903Cb 0.13 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1a5u n LEU 1903CO 0.11 0.64 0.40 -0.47 -1.33 0.00 0.00 177.39 176.75 1a5u s TYR 1904N -2.09 3.56 -0.27 -1.77 5.04 -1.16 -4.90 117.35 115.75 1a5u s TYR 1904Ca 0.23 1.24 -0.03 0.00 -2.44 0.00 0.00 57.07 56.07 1a5u s TYR 1904Cb 0.19 -2.81 0.03 0.00 0.35 0.00 0.00 41.96 39.72 1a5u s TYR 1904CO 0.05 0.06 -0.01 1.03 -1.34 0.00 0.00 175.55 175.34 1a5u s ARG 1905N 0.90 2.77 0.34 4.97 0.52 -1.26 -4.96 118.95 122.22 1a5u s ARG 1905Ca 0.37 -1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 1a5u s ARG 1905Cb -0.18 -3.12 -0.12 0.00 0.52 0.00 0.00 34.95 32.06 1a5u s ARG 1905CO 0.18 -0.47 1.45 -2.30 0.02 0.00 0.00 175.30 174.17 1a5u n PRO 1906N 4.70 2.47 -4.06 3.54 -0.02 -1.26 -4.96 135.00 135.41 1a5u n PRO 1906Ca -0.15 0.87 -0.23 0.00 -2.02 0.00 0.00 63.50 61.96 1a5u n PRO 1906Cb 0.46 -2.56 -0.17 0.00 -0.02 0.00 0.00 33.50 31.21 1a5u n PRO 1906CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a5u s VAL 1907N -0.77 0.74 0.37 -1.45 1.01 -1.26 -4.92 120.40 114.12 1a5u s VAL 1907Ca 0.58 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 1a5u s VAL 1907Cb -0.52 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 1a5u s VAL 1907CO 0.59 0.30 0.85 0.00 0.00 0.00 0.00 175.10 176.84 1a5u s ALA 1908N 1.37 3.18 -0.07 5.51 0.00 -0.57 -4.94 121.76 126.24 1a5u s ALA 1908Ca -0.03 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1a5u s ALA 1908Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1a5u s ALA 1908CO -0.03 0.23 -0.18 0.08 0.00 0.00 0.00 175.76 175.85 1a5u s VAL 1909N -2.04 2.66 0.01 0.00 1.01 -1.26 -0.70 120.40 120.07 1a5u s VAL 1909Ca 0.57 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1a5u s VAL 1909Cb -0.10 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1a5u s VAL 1909CO 0.16 0.57 -0.04 0.00 0.00 0.00 0.00 175.10 175.79 1a5u s ALA 1910N -0.26 0.28 -0.19 5.51 0.00 -0.42 -1.12 121.76 125.55 1a5u s ALA 1910Ca 0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 1a5u s ALA 1910Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1a5u s ALA 1910CO 0.03 0.03 0.08 -1.17 0.00 0.00 0.00 175.76 174.73 1a5u s LEU 1911N -0.38 3.88 -0.23 0.00 0.20 -0.72 -1.24 118.68 120.19 1a5u s LEU 1911Ca -0.02 0.09 -0.06 0.00 0.69 0.00 0.00 54.13 54.83 1a5u s LEU 1911Cb -0.03 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1a5u s LEU 1911CO -0.00 0.15 0.02 -0.62 -0.29 0.00 0.00 176.35 175.62 1a5u s ASP 1912N 0.50 4.85 0.83 3.68 -1.08 0.18 0.49 116.67 126.11 1a5u s ASP 1912Ca 0.04 -0.25 -0.11 0.00 -0.52 0.00 0.00 52.55 51.71 1a5u s ASP 1912Cb -0.12 -1.85 0.09 0.00 -1.46 0.00 0.00 42.92 39.57 1a5u s ASP 1912CO 0.00 0.00 1.10 0.42 0.52 0.00 0.00 175.17 177.21 1a5u s THR 1913N 1.39 2.94 -0.15 1.71 -4.23 -0.51 0.16 115.64 116.95 1a5u s THR 1913Ca 0.05 0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1a5u s THR 1913Cb -0.15 -2.97 -0.13 0.00 1.34 0.00 0.00 72.50 70.60 1a5u s THR 1913CO 0.01 -0.40 0.22 0.11 -0.54 0.00 0.00 174.62 174.03 1a5u h LYS 1914N -1.23 0.00 0.00 3.99 1.57 -1.91 -3.39 116.57 115.60 1a5u h LYS 1914Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1a5u h LYS 1914Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1a5u h LYS 1914CO 0.58 0.52 0.00 0.41 -0.57 0.00 0.00 179.45 180.39 1a5u n GLY 1915N 1.61 -1.03 3.21 3.86 0.00 -1.26 -4.13 105.19 107.45 1a5u n GLY 1915Ca -0.12 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1a5u n GLY 1915CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a5u n PRO 1916N -0.88 1.28 -4.31 1.61 -0.02 -1.26 -4.89 135.00 126.53 1a5u n PRO 1916Ca 0.00 -1.78 -0.19 0.00 -2.02 0.00 0.00 63.50 59.50 1a5u n PRO 1916Cb 0.00 -2.95 -0.11 0.00 -0.02 0.00 0.00 33.50 30.42 1a5u n PRO 1916CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1a5u s GLU 1917N 5.49 1.21 -0.24 -0.52 -1.05 -1.26 -4.95 118.70 117.38 1a5u s GLU 1917Ca 0.61 -1.42 -0.10 0.00 -0.15 0.00 0.00 54.97 53.91 1a5u s GLU 1917Cb 0.13 -1.11 -0.05 0.00 -0.44 0.00 0.00 34.13 32.66 1a5u s GLU 1917CO 0.16 0.21 0.16 0.42 0.95 0.00 0.00 175.26 177.15 1a5u s ILE 1918N -2.42 5.29 0.09 1.83 1.01 -1.26 -4.92 121.20 120.82 1a5u s ILE 1918Ca 0.16 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1a5u s ILE 1918Cb -0.04 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1a5u s ILE 1918CO 0.05 0.34 -0.17 -0.60 0.00 0.00 0.00 174.94 174.56 1a5u s ARG 1919N 1.12 0.96 0.74 2.79 6.06 -1.26 -0.83 118.95 128.52 1a5u s ARG 1919Ca 0.07 -1.06 -0.08 0.00 -2.50 0.00 0.00 55.73 52.16 1a5u s ARG 1919Cb -0.14 -1.06 0.07 0.00 0.06 0.00 0.00 34.95 33.88 1a5u s ARG 1919CO 0.05 0.24 1.07 0.95 -2.50 0.00 0.00 175.30 175.11 1a5u s THR 1920N -1.28 2.23 0.00 4.11 -4.23 -0.26 -1.00 115.64 115.21 1a5u s THR 1920Ca 0.02 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1a5u s THR 1920Cb -0.10 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1a5u s THR 1920CO 0.03 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1a5u n GLY 1921N -3.05 -0.78 3.90 3.99 0.00 0.12 -3.59 105.19 105.78 1a5u n GLY 1921Ca 0.08 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1a5u n GLY 1921CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 1922N 0.00 4.35 -0.39 0.99 1.43 -0.26 -1.70 118.68 123.11 1a5u s LEU 1922Ca 0.00 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.30 1a5u s LEU 1922Cb 0.00 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.40 1a5u s LEU 1922CO 0.00 0.20 0.63 -0.63 0.23 0.00 0.00 176.35 176.78 1a5u s ILE 1923N -1.42 4.87 -1.36 -0.59 -1.09 -1.20 0.20 121.20 120.62 1a5u s ILE 1923Ca 0.32 0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 59.02 1a5u s ILE 1923Cb -0.13 -4.12 0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1a5u s ILE 1923CO 0.22 -0.41 0.43 0.29 -1.23 0.00 0.00 174.94 174.24 1a5u n LYS 1924N 6.11 -1.69 -1.82 2.79 5.02 0.16 -0.00 118.16 128.72 1a5u n LYS 1924Ca -0.02 0.26 -0.17 0.00 -2.02 0.00 0.00 58.31 56.37 1a5u n LYS 1924Cb 0.48 -3.80 -0.05 0.00 -0.02 0.00 0.00 35.03 31.64 1a5u n LYS 1924CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5u n GLY 1925N -2.11 0.89 3.08 0.72 0.00 0.11 -4.99 105.19 102.89 1a5u n GLY 1925Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 1a5u n GLY 1925CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5u s SER 1926N -2.31 1.33 0.00 1.61 0.15 0.99 -5.02 113.70 110.44 1a5u s SER 1926Ca 0.00 -0.33 0.22 0.00 0.70 0.00 0.00 55.95 56.54 1a5u s SER 1926Cb 0.00 -0.10 0.88 0.00 -1.71 0.00 0.00 66.02 65.09 1a5u s SER 1926CO 0.00 0.05 1.62 0.61 1.20 0.00 0.00 173.24 176.72 1a5u n GLY 1927N 2.30 0.06 0.00 9.45 0.00 -1.26 -3.22 105.19 112.51 1a5u n GLY 1927Ca -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1a5u n GLY 1927CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 1928N 0.13 0.00 -2.90 2.61 -2.24 -1.26 -4.66 114.28 105.96 1a5u n THR 1928Ca 0.17 -0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.39 1a5u n THR 1928Cb 0.30 1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 1a5u n THR 1928CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 1929N -0.09 3.46 0.20 6.98 0.00 -1.24 -4.97 121.76 126.10 1a5u s ALA 1929Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 1a5u s ALA 1929Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 1a5u s ALA 1929CO 0.00 -0.12 0.40 -1.21 0.00 0.00 0.00 175.76 174.83 1a5u s GLU 1930N -4.26 1.35 0.05 0.00 2.02 -1.26 -3.62 118.70 112.98 1a5u s GLU 1930Ca 0.47 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 1a5u s GLU 1930Cb -0.10 0.44 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 1a5u s GLU 1930CO 0.38 -0.54 -0.01 0.54 0.02 0.00 0.00 175.26 175.65 1a5u s VAL 1931N -3.97 0.20 -0.25 2.63 0.11 0.11 -4.95 120.40 114.28 1a5u s VAL 1931Ca 0.18 -1.61 -0.08 0.00 -2.93 0.00 0.00 61.98 57.54 1a5u s VAL 1931Cb 0.01 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 1a5u s VAL 1931CO 0.03 -0.89 0.11 -0.70 -3.33 0.00 0.00 175.10 170.32 1a5u s GLU 1932N -3.49 3.77 0.42 1.54 2.12 -1.26 0.41 118.70 122.21 1a5u s GLU 1932Ca 0.03 -0.42 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 1a5u s GLU 1932Cb 0.05 -3.42 -0.08 0.00 0.26 0.00 0.00 34.13 30.94 1a5u s GLU 1932CO -0.08 -0.15 0.83 -0.51 -0.54 0.00 0.00 175.26 174.80 1a5u s LEU 1933N 1.56 3.83 -0.09 2.70 1.43 0.39 -4.94 118.68 123.56 1a5u s LEU 1933Ca 0.06 1.30 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 1a5u s LEU 1933Cb -0.15 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 41.90 1a5u s LEU 1933CO 0.06 -0.40 -0.17 -0.54 0.23 0.00 0.00 176.35 175.52 1a5u s LYS 1934N -3.69 2.27 0.21 1.70 1.02 -1.26 -2.48 119.74 117.51 1a5u s LYS 1934Ca 0.54 -0.60 -0.32 0.00 0.02 0.00 0.00 55.97 55.61 1a5u s LYS 1934Cb -0.10 -1.82 -0.14 0.00 -0.52 0.00 0.00 37.83 35.24 1a5u s LYS 1934CO 0.27 0.05 1.33 1.17 -0.92 0.00 0.00 175.35 177.25 1a5u n LYS 1935N 3.83 1.72 0.00 1.68 4.81 -1.26 -0.84 118.16 128.10 1a5u n LYS 1935Ca -0.21 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 1a5u n LYS 1935Cb 0.52 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1a5u n LYS 1935CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 1936N 2.17 2.20 3.88 3.14 0.00 0.51 -4.91 105.19 112.18 1a5u n GLY 1936Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1a5u n GLY 1936CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 1937N -2.34 3.01 0.18 4.61 0.00 -0.02 -4.74 121.76 122.47 1a5u s ALA 1937Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1a5u s ALA 1937Cb 0.00 -3.01 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1a5u s ALA 1937CO 0.00 -0.92 0.44 0.95 0.00 0.00 0.00 175.76 176.23 1a5u s THR 1938N -3.25 5.08 -0.13 0.00 -4.23 -1.26 0.44 115.64 112.29 1a5u s THR 1938Ca 0.56 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 1a5u s THR 1938Cb -0.11 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.16 1a5u s THR 1938CO 0.52 -0.02 0.28 -0.22 -0.54 0.00 0.00 174.62 174.64 1a5u s LEU 1939N -2.77 -0.01 -0.19 4.79 2.96 -0.56 -4.84 118.68 118.05 1a5u s LEU 1939Ca 0.43 0.63 -0.11 0.00 -0.22 0.00 0.00 54.13 54.86 1a5u s LEU 1939Cb -0.12 0.83 -0.05 0.00 0.50 0.00 0.00 46.19 47.36 1a5u s LEU 1939CO 0.24 -0.20 0.17 -0.75 -1.32 0.00 0.00 176.35 174.48 1a5u s LYS 1940N 1.85 4.20 -0.17 1.98 2.20 -0.84 0.34 119.74 129.29 1a5u s LYS 1940Ca -0.04 -0.16 -0.14 0.00 -0.36 0.00 0.00 55.97 55.27 1a5u s LYS 1940Cb -0.11 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1a5u s LYS 1940CO -0.09 0.27 0.30 0.42 -0.36 0.00 0.00 175.35 175.88 1a5u s ILE 1941N 0.43 5.30 0.08 5.43 1.01 -0.25 0.17 121.20 133.36 1a5u s ILE 1941Ca 0.10 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.35 1a5u s ILE 1941Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1a5u s ILE 1941CO -0.00 0.37 -0.15 -0.89 0.00 0.00 0.00 174.94 174.26 1a5u s THR 1942N 0.62 1.21 -0.65 2.92 2.01 0.19 -2.20 115.64 119.74 1a5u s THR 1942Ca 0.16 -1.37 0.15 0.00 0.31 0.00 0.00 61.69 60.95 1a5u s THR 1942Cb -0.13 -1.17 -0.18 0.00 0.01 0.00 0.00 72.50 71.03 1a5u s THR 1942CO 0.04 -0.21 0.62 0.18 -0.69 0.00 0.00 174.62 174.56 1a5u n LEU 1943N 1.20 0.65 -4.56 4.42 4.77 -1.11 -1.78 117.00 120.59 1a5u n LEU 1943Ca -0.21 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 54.92 1a5u n LEU 1943Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1a5u n LEU 1943CO 0.22 0.16 1.93 -0.67 -1.33 0.00 0.00 177.39 177.71 1a5u n ASP 1944N -1.44 2.71 0.06 -1.43 -0.08 -1.26 -4.78 116.55 110.34 1a5u n ASP 1944Ca 0.02 -0.08 0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1a5u n ASP 1944Cb 0.26 -1.53 0.15 0.00 2.34 0.00 0.00 41.12 42.33 1a5u n ASP 1944CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1a5u n ASN 1945N 13.33 0.14 0.27 1.67 5.03 -1.26 -1.42 115.26 133.02 1a5u n ASN 1945Ca 0.35 0.43 0.18 0.00 0.87 0.00 0.00 54.58 56.40 1a5u n ASN 1945Cb 0.46 -0.41 0.87 0.00 -1.02 0.00 0.00 39.78 39.68 1a5u n ASN 1945CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5u h ALA 1946N 1.32 1.00 -0.11 5.41 0.00 -2.00 -2.82 119.26 122.05 1a5u h ALA 1946Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 1946Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a5u h ALA 1946CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1a5u n TYR 1947N -2.88 0.14 0.00 0.00 4.02 -0.51 -4.68 117.16 113.26 1a5u n TYR 1947Ca -0.01 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1a5u n TYR 1947Cb 0.17 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1a5u n TYR 1947CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a5u n MET 1948N 0.32 0.00 -0.06 -0.72 0.00 -1.07 -0.39 117.12 115.21 1a5u n MET 1948Ca 0.06 0.35 0.01 0.00 0.00 0.00 0.00 57.70 58.11 1a5u n MET 1948Cb 0.27 -1.55 0.01 0.00 0.00 0.00 0.00 33.22 31.95 1a5u n MET 1948CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1a5u n GLU 1949N -1.33 0.84 -2.42 3.17 1.02 -1.26 -1.10 120.64 119.56 1a5u n GLU 1949Ca 0.00 -0.92 -0.18 0.00 -0.02 0.00 0.00 57.16 56.04 1a5u n GLU 1949Cb 0.05 -0.68 0.02 0.00 -0.02 0.00 0.00 31.44 30.81 1a5u n GLU 1949CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a5u n LYS 1950N -0.20 2.79 -2.52 3.49 5.02 0.48 0.06 118.16 127.27 1a5u n LYS 1950Ca 0.01 -3.99 -0.36 0.00 -2.02 0.00 0.00 58.31 51.95 1a5u n LYS 1950Cb 0.47 -1.97 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1a5u n LYS 1950CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a5u n ASP 1952N -0.32 -0.01 0.17 0.00 5.68 0.29 -0.66 116.55 121.70 1a5u n ASP 1952Ca 0.06 -1.01 0.13 0.00 -0.50 0.00 0.00 54.79 53.47 1a5u n ASP 1952Cb 0.50 0.01 0.57 0.00 -1.14 0.00 0.00 41.12 41.06 1a5u n ASP 1952CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a5u h GLU 1953N 0.00 0.00 0.00 0.11 9.09 -1.95 -2.96 114.58 118.88 1a5u h GLU 1953Ca -0.00 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.12 1a5u h GLU 1953Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 1a5u h GLU 1953CO 0.00 0.00 -2.08 0.09 0.05 0.00 0.00 179.01 177.07 1a5u n ASN 1954N -2.40 1.55 -3.90 3.06 5.03 -1.26 -4.81 115.26 112.53 1a5u n ASN 1954Ca 0.01 -0.03 -0.14 0.00 0.87 0.00 0.00 54.58 55.29 1a5u n ASN 1954Cb 0.20 0.54 -0.14 0.00 -1.02 0.00 0.00 39.78 39.35 1a5u n ASN 1954CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 1955N -2.38 0.18 -0.09 2.41 1.01 -1.12 -1.99 121.20 119.22 1a5u s ILE 1955Ca -0.13 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1a5u s ILE 1955Cb 0.05 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.37 1a5u s ILE 1955CO 0.58 0.06 -0.10 -0.22 0.00 0.00 0.00 174.94 175.27 1a5u s LEU 1956N 0.07 1.40 -0.11 2.97 2.96 0.44 0.11 118.68 126.52 1a5u s LEU 1956Ca -0.00 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 53.45 1a5u s LEU 1956Cb -0.02 -0.84 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 1a5u s LEU 1956CO -0.00 -0.05 0.37 0.86 -1.32 0.00 0.00 176.35 176.21 1a5u s TRP 1957N 1.24 3.53 0.19 5.38 -0.00 -1.26 0.53 118.94 128.55 1a5u s TRP 1957Ca -0.04 0.77 0.09 0.00 -0.00 0.00 0.00 56.10 56.92 1a5u s TRP 1957Cb -0.14 -2.39 -0.04 0.00 -0.00 0.00 0.00 33.47 30.90 1a5u s TRP 1957CO -0.03 0.31 -0.07 -0.51 -0.00 0.00 0.00 176.95 176.64 1a5u s LEU 1958N 0.18 3.05 0.17 5.86 1.43 -0.73 0.11 118.68 128.75 1a5u s LEU 1958Ca 0.21 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1a5u s LEU 1958Cb -0.14 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.41 1a5u s LEU 1958CO 0.08 0.09 1.43 0.44 0.23 0.00 0.00 176.35 178.62 1a5u h ASP 1959N 2.80 0.50 -2.29 2.29 5.19 -1.41 -3.43 116.42 120.06 1a5u h ASP 1959Ca -0.47 -0.33 -0.66 0.00 -0.62 0.00 0.00 57.03 54.96 1a5u h ASP 1959Cb 1.21 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 40.42 1a5u h ASP 1959CO 0.55 1.07 0.85 -0.47 -3.12 0.00 0.00 179.24 178.12 1a5u s TYR 1960N -3.61 2.88 0.59 4.55 5.04 -1.26 -4.91 117.35 120.62 1a5u s TYR 1960Ca -0.06 -1.02 0.29 0.00 -2.44 0.00 0.00 57.07 53.84 1a5u s TYR 1960Cb 0.10 -4.35 1.67 0.00 0.35 0.00 0.00 41.96 39.73 1a5u s TYR 1960CO 0.84 -1.62 2.11 0.87 -1.34 0.00 0.00 175.55 176.42 1a5u h LYS 1961N 9.23 0.00 -0.00 4.97 1.79 -1.97 -1.71 116.57 128.88 1a5u h LYS 1961Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1a5u h LYS 1961Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1a5u h LYS 1961CO 1.18 0.00 -0.31 0.09 -1.08 0.00 0.00 179.45 179.33 1a5u n ASN 1962N -3.80 0.79 -0.32 0.86 3.02 -1.26 -4.46 115.26 110.09 1a5u n ASN 1962Ca 0.01 -0.64 0.27 0.00 -0.03 0.00 0.00 54.58 54.20 1a5u n ASN 1962Cb 0.30 0.14 0.47 0.00 -0.61 0.00 0.00 39.78 40.08 1a5u n ASN 1962CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5u n ILE 1963N -0.95 -0.19 0.18 2.41 3.06 -0.64 0.11 119.36 123.33 1a5u n ILE 1963Ca 0.10 1.28 0.03 0.00 -2.50 0.00 0.00 62.75 61.66 1a5u n ILE 1963Cb 0.34 -2.09 0.31 0.00 0.54 0.00 0.00 39.64 38.73 1a5u n ILE 1963CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a5u h LYS 1965N 0.00 0.00 -0.49 0.00 1.57 0.42 -3.28 116.57 114.79 1a5u h LYS 1965Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a5u h LYS 1965Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1a5u h LYS 1965CO 0.06 0.25 0.00 1.33 -0.57 0.00 0.00 179.45 180.51 1a5u n VAL 1966N -3.06 0.66 -4.47 0.50 0.24 -1.16 -4.92 118.33 106.11 1a5u n VAL 1966Ca 0.01 -0.83 -0.23 0.00 -2.04 0.00 0.00 64.34 61.25 1a5u n VAL 1966Cb 0.66 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.76 1a5u n VAL 1966CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1a5u s VAL 1967N -1.32 1.85 0.08 3.34 0.11 -1.11 -4.60 120.40 118.74 1a5u s VAL 1967Ca 0.41 -2.15 -0.02 0.00 -2.93 0.00 0.00 61.98 57.29 1a5u s VAL 1967Cb 0.23 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 1a5u s VAL 1967CO 0.32 -0.26 0.02 -1.81 -3.33 0.00 0.00 175.10 170.03 1a5u s ASP 1968N -3.50 0.40 0.16 3.54 1.11 -1.26 -4.94 116.67 112.18 1a5u s ASP 1968Ca 0.31 -1.04 -0.31 0.00 0.18 0.00 0.00 52.55 51.68 1a5u s ASP 1968Cb 0.03 0.24 -0.11 0.00 1.07 0.00 0.00 42.92 44.16 1a5u s ASP 1968CO 0.14 -0.65 1.69 -0.69 1.18 0.00 0.00 175.17 176.83 1a5u s VAL 1969N -3.96 2.44 0.00 -1.27 1.01 -1.26 -0.52 120.40 116.85 1a5u s VAL 1969Ca 0.12 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1a5u s VAL 1969Cb 0.08 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1a5u s VAL 1969CO -0.06 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1a5u n GLY 1970N 3.97 0.57 3.72 4.51 0.00 0.27 -4.96 105.19 113.27 1a5u n GLY 1970Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1a5u n GLY 1970CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 1971N -2.01 4.06 -0.22 1.61 0.01 0.32 -4.43 113.70 113.05 1a5u s SER 1971Ca 0.00 2.34 -0.05 0.00 1.31 0.00 0.00 55.95 59.55 1a5u s SER 1971Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 1a5u s SER 1971CO 0.00 -2.35 0.00 -0.54 0.41 0.00 0.00 173.24 170.76 1a5u s LYS 1972N -3.99 3.56 -0.19 12.44 3.01 -1.26 0.22 119.74 133.53 1a5u s LYS 1972Ca 0.74 -0.54 -0.07 0.00 -1.01 0.00 0.00 55.97 55.08 1a5u s LYS 1972Cb -0.29 -3.11 -0.04 0.00 -1.01 0.00 0.00 37.83 33.39 1a5u s LYS 1972CO 0.47 -0.09 0.06 0.08 0.51 0.00 0.00 175.35 176.37 1a5u s VAL 1973N 1.26 4.65 -0.03 3.17 1.01 0.85 -4.67 120.40 126.64 1a5u s VAL 1973Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1a5u s VAL 1973Cb -0.15 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1a5u s VAL 1973CO 0.01 0.45 0.00 -0.31 0.00 0.00 0.00 175.10 175.24 1a5u s TYR 1974N 0.54 3.10 -0.13 5.22 2.02 -0.35 -1.18 117.35 126.57 1a5u s TYR 1974Ca 0.03 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1a5u s TYR 1974Cb -0.13 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.74 1a5u s TYR 1974CO 0.01 0.46 -0.16 0.08 -1.57 0.00 0.00 175.55 174.37 1a5u s VAL 1975N -1.02 1.59 -0.25 0.71 1.01 -0.20 -0.43 120.40 121.81 1a5u s VAL 1975Ca 0.18 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1a5u s VAL 1975Cb -0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1a5u s VAL 1975CO 0.08 0.46 0.23 -0.67 0.00 0.00 0.00 175.10 175.20 1a5u n ASP 1976N 4.37 -3.68 -3.58 3.32 2.03 0.41 -2.04 116.55 117.39 1a5u n ASP 1976Ca -0.18 -0.08 -0.27 0.00 0.52 0.00 0.00 54.79 54.78 1a5u n ASP 1976Cb 0.51 -2.21 0.01 0.00 -0.72 0.00 0.00 41.12 38.71 1a5u n ASP 1976CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1a5u n ASP 1977N -1.46 -4.50 0.00 1.67 8.00 -1.26 -1.19 116.55 117.81 1a5u n ASP 1977Ca -0.01 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1a5u n ASP 1977Cb 0.51 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 1a5u n ASP 1977CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 1978N -1.44 0.64 0.24 0.44 0.00 -1.26 -4.80 105.19 99.02 1a5u n GLY 1978Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1a5u n GLY 1978CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1a5u h LEU 1979N 0.00 0.51 -8.82 0.99 5.85 -1.00 -3.42 115.31 109.43 1a5u h LEU 1979Ca 0.00 0.03 -0.68 0.00 0.84 0.00 0.00 57.88 58.07 1a5u h LEU 1979Cb 0.00 -0.08 -0.24 0.00 0.37 0.00 0.00 40.66 40.71 1a5u h LEU 1979CO 0.00 0.34 -0.76 -0.63 -0.34 0.00 0.00 178.44 177.05 1a5u s ILE 1980N -6.11 3.14 -0.27 4.05 -1.09 -0.86 -4.96 121.20 115.10 1a5u s ILE 1980Ca -0.13 -0.67 -0.01 0.00 -2.23 0.00 0.00 60.65 57.61 1a5u s ILE 1980Cb 0.15 -2.27 0.04 0.00 -1.58 0.00 0.00 42.46 38.80 1a5u s ILE 1980CO 0.75 0.56 -0.04 -0.55 -1.23 0.00 0.00 174.94 174.44 1a5u s SER 1981N -0.32 4.56 -0.08 3.58 0.15 -1.26 -1.03 113.70 119.30 1a5u s SER 1981Ca 0.03 -1.07 -0.04 0.00 0.70 0.00 0.00 55.95 55.57 1a5u s SER 1981Cb -0.13 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1a5u s SER 1981CO 0.03 -0.19 0.08 -0.76 1.20 0.00 0.00 173.24 173.59 1a5u s LEU 1982N 1.28 3.98 -0.14 3.45 1.43 -0.32 -0.35 118.68 128.01 1a5u s LEU 1982Ca -0.03 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1a5u s LEU 1982Cb -0.18 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1a5u s LEU 1982CO -0.03 0.37 -0.20 -1.58 0.23 0.00 0.00 176.35 175.14 1a5u s GLN 1983N -1.14 3.12 0.19 1.70 0.74 -0.83 -0.11 119.66 123.33 1a5u s GLN 1983Ca 0.16 -0.81 -0.32 0.00 0.05 0.00 0.00 55.36 54.44 1a5u s GLN 1983Cb -0.12 -2.48 -0.11 0.00 1.10 0.00 0.00 33.01 31.40 1a5u s GLN 1983CO 0.06 0.05 1.64 0.08 -0.55 0.00 0.00 175.29 176.57 1a5u s VAL 1984N 0.68 2.33 -0.03 1.34 1.01 0.59 -2.12 120.40 124.21 1a5u s VAL 1984Ca -0.09 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1a5u s VAL 1984Cb -0.16 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1a5u s VAL 1984CO 0.01 0.02 0.02 0.29 0.00 0.00 0.00 175.10 175.45 1a5u n LYS 1985N 3.86 3.01 -3.70 2.72 4.76 -0.83 0.96 118.16 128.94 1a5u n LYS 1985Ca 0.14 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 1a5u n LYS 1985Cb 0.37 -1.10 -0.10 0.00 -1.84 0.00 0.00 35.03 32.36 1a5u n LYS 1985CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a5u s GLN 1986N -2.11 0.43 -0.14 1.97 0.74 -1.01 -4.90 119.66 114.64 1a5u s GLN 1986Ca -0.02 0.77 -0.05 0.00 0.05 0.00 0.00 55.36 56.11 1a5u s GLN 1986Cb 0.01 0.05 -0.04 0.00 1.10 0.00 0.00 33.01 34.13 1a5u s GLN 1986CO 0.16 -0.14 0.04 0.15 -0.55 0.00 0.00 175.29 174.95 1a5u s LYS 1987N 1.14 3.53 0.37 1.67 1.02 -1.26 -0.76 119.74 125.45 1a5u s LYS 1987Ca -0.07 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.60 1a5u s LYS 1987Cb -0.07 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1a5u s LYS 1987CO -0.10 0.48 0.06 0.20 -0.92 0.00 0.00 175.35 175.07 1a5u s GLY 1988N -0.24 2.31 0.16 -3.33 0.00 0.30 -4.98 107.32 101.54 1a5u s GLY 1988Ca 0.07 -1.78 0.07 0.00 0.00 0.00 0.00 44.72 43.08 1a5u s GLY 1988CO 0.02 -1.88 1.36 -0.56 0.00 0.00 0.00 173.10 172.03 1a5u h PRO 1989N 1.95 0.02 -0.01 2.90 0.14 -2.00 -3.29 132.00 131.71 1a5u h PRO 1989Ca -0.40 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.71 1a5u h PRO 1989Cb 1.26 0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.40 1a5u h PRO 1989CO 0.69 0.91 -0.07 -3.47 0.14 0.00 0.00 178.00 176.19 1a5u n ASP 1990N -3.48 1.40 -2.42 1.44 2.03 -1.26 -4.95 116.55 109.31 1a5u n ASP 1990Ca -0.01 -1.20 -0.04 0.00 0.52 0.00 0.00 54.79 54.06 1a5u n ASP 1990Cb 0.86 0.22 0.02 0.00 -0.72 0.00 0.00 41.12 41.49 1a5u n ASP 1990CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1a5u n PHE 1991N 0.11 -1.59 -3.77 -0.67 1.16 -1.24 -2.76 117.46 108.70 1a5u n PHE 1991Ca 0.04 -1.13 -0.14 0.00 -1.87 0.00 0.00 57.45 54.35 1a5u n PHE 1991Cb 0.19 0.56 -0.15 0.00 -1.61 0.00 0.00 39.48 38.46 1a5u n PHE 1991CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1a5u s LEU 1992N 0.00 1.04 -0.56 5.98 1.43 -0.94 0.11 118.68 125.74 1a5u s LEU 1992Ca 0.13 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1a5u s LEU 1992Cb -0.03 0.10 0.08 0.00 0.03 0.00 0.00 46.19 46.37 1a5u s LEU 1992CO 0.06 -0.12 0.71 -0.69 0.23 0.00 0.00 176.35 176.55 1a5u s VAL 1993N 0.99 4.76 0.36 -1.59 1.01 0.06 -1.09 120.40 124.90 1a5u s VAL 1993Ca -0.08 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1a5u s VAL 1993Cb -0.11 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 31.89 1a5u s VAL 1993CO -0.04 -1.03 0.46 0.35 0.00 0.00 0.00 175.10 174.84 1a5u n THR 1994N 5.66 0.00 -4.33 3.92 -2.24 0.15 -1.96 114.28 115.48 1a5u n THR 1994Ca -0.07 -1.26 -0.24 0.00 -2.27 0.00 0.00 64.05 60.22 1a5u n THR 1994Cb 0.44 -0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 67.91 1a5u n THR 1994CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1a5u s GLU 1995N -3.62 1.40 -0.16 -0.78 2.12 -0.90 -1.49 118.70 115.27 1a5u s GLU 1995Ca 0.35 -0.29 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 1a5u s GLU 1995Cb -0.03 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.06 1a5u s GLU 1995CO 0.22 -0.06 1.68 0.08 -0.54 0.00 0.00 175.26 176.64 1a5u s VAL 1996N 0.95 3.60 -0.33 3.70 1.01 0.17 -1.96 120.40 127.54 1a5u s VAL 1996Ca -0.10 0.69 0.23 0.00 0.00 0.00 0.00 61.98 62.80 1a5u s VAL 1996Cb -0.15 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.75 1a5u s VAL 1996CO 0.00 -0.20 1.21 -0.33 0.00 0.00 0.00 175.10 175.79 1a5u h GLU 1997N 10.66 0.00 -3.13 2.72 5.08 -1.01 0.15 114.58 129.05 1a5u h GLU 1997Ca -0.36 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.86 1a5u h GLU 1997Cb 1.17 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.19 1a5u h GLU 1997CO 0.98 0.00 -0.37 0.54 -1.00 0.00 0.00 179.01 179.16 1a5u s ASN 1998N -5.44 -0.20 0.82 1.42 2.20 -1.26 -4.68 114.94 107.80 1a5u s ASN 1998Ca 0.02 0.27 -0.12 0.00 -0.94 0.00 0.00 52.86 52.09 1a5u s ASN 1998Cb 0.09 0.42 0.09 0.00 -2.00 0.00 0.00 41.25 39.85 1a5u s ASN 1998CO 0.75 -0.26 1.17 -0.83 -2.94 0.00 0.00 177.10 175.00 1a5u s GLY 1999N -0.59 1.99 0.00 0.45 0.00 -1.26 -4.31 107.32 103.60 1a5u s GLY 1999Ca -0.07 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1a5u s GLY 1999CO 0.02 1.11 0.00 0.61 0.00 0.00 0.00 173.10 174.84 1a5u n GLY 2000N 0.17 1.82 3.52 0.20 0.00 -1.04 -4.90 105.19 104.97 1a5u n GLY 2000Ca 0.12 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1a5u n GLY 2000CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5u s PHE 2001N -2.00 3.23 -0.30 1.61 0.40 -1.26 0.15 117.98 119.81 1a5u s PHE 2001Ca 0.00 -0.26 -0.23 0.00 -0.60 0.00 0.00 56.93 55.84 1a5u s PHE 2001Cb 0.00 -2.48 -0.00 0.00 0.51 0.00 0.00 43.02 41.04 1a5u s PHE 2001CO 0.00 -0.39 0.75 -1.17 0.70 0.00 0.00 175.22 175.11 1a5u s LEU 2002N 1.71 4.10 0.00 -0.37 2.96 0.17 -4.86 118.68 122.39 1a5u s LEU 2002Ca 0.06 0.66 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1a5u s LEU 2002Cb -0.18 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.50 1a5u s LEU 2002CO 0.10 -0.56 0.00 0.61 -1.32 0.00 0.00 176.35 175.18 1a5u n GLY 2003N 4.20 3.30 3.87 7.98 0.00 -1.26 0.09 105.19 123.36 1a5u n GLY 2003Ca 0.03 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1a5u n GLY 2003CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 2004N -0.61 6.61 -1.15 1.61 0.01 -1.24 -4.50 113.70 114.43 1a5u s SER 2004Ca 0.00 0.73 -0.18 0.00 1.31 0.00 0.00 55.95 57.82 1a5u s SER 2004Cb 0.00 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 1a5u s SER 2004CO 0.00 0.23 0.78 0.29 0.41 0.00 0.00 173.24 174.95 1a5u n LYS 2005N 1.14 -1.59 -3.70 12.44 5.02 -0.69 -4.96 118.16 125.82 1a5u n LYS 2005Ca -0.10 0.50 -0.29 0.00 -2.02 0.00 0.00 58.31 56.39 1a5u n LYS 2005Cb 0.53 -4.34 -0.04 0.00 -0.02 0.00 0.00 35.03 31.16 1a5u n LYS 2005CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5u s LYS 2006N -5.88 3.55 0.55 1.97 -0.14 -1.26 -4.66 119.74 113.88 1a5u s LYS 2006Ca 0.43 -0.24 -0.19 0.00 -1.36 0.00 0.00 55.97 54.61 1a5u s LYS 2006Cb -0.14 -2.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.10 1a5u s LYS 2006CO 0.85 0.44 1.11 0.20 -0.76 0.00 0.00 175.35 177.19 1a5u s GLY 2007N -2.80 2.52 -0.10 -3.33 0.00 -1.26 -1.10 107.32 101.24 1a5u s GLY 2007Ca 0.39 0.73 0.03 0.00 0.00 0.00 0.00 44.72 45.88 1a5u s GLY 2007CO 0.27 1.08 -0.22 0.14 0.00 0.00 0.00 173.10 174.37 1a5u s VAL 2008N -1.92 1.93 -0.11 1.40 1.01 -0.01 -0.44 120.40 122.25 1a5u s VAL 2008Ca 0.71 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1a5u s VAL 2008Cb -0.22 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1a5u s VAL 2008CO 0.28 0.53 -0.22 0.20 0.00 0.00 0.00 175.10 175.89 1a5u s ASN 2009N 0.49 2.95 -0.66 3.32 0.01 0.43 -4.38 114.94 117.10 1a5u s ASN 2009Ca -0.16 -0.54 0.04 0.00 -0.71 0.00 0.00 52.86 51.49 1a5u s ASN 2009Cb -0.17 -1.35 0.32 0.00 0.41 0.00 0.00 41.25 40.46 1a5u s ASN 2009CO 0.06 0.13 1.04 0.18 -1.51 0.00 0.00 177.10 177.00 1a5u n LEU 2010N 3.69 4.79 -4.61 0.60 7.99 -1.26 -1.21 117.00 126.99 1a5u n LEU 2010Ca -0.20 -5.60 -0.57 0.00 -0.01 0.00 0.00 56.01 49.63 1a5u n LEU 2010Cb 0.52 -0.67 -0.07 0.00 -0.11 0.00 0.00 43.42 43.09 1a5u n LEU 2010CO 0.27 2.26 0.95 -2.65 -1.51 0.00 0.00 177.39 176.71 1a5u n PRO 2011N -0.01 0.75 -2.22 3.23 -0.02 -1.26 -1.51 135.00 133.95 1a5u n PRO 2011Ca 0.33 0.27 -0.01 0.00 -2.02 0.00 0.00 63.50 62.07 1a5u n PRO 2011Cb 0.38 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1a5u n PRO 2011CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5u n GLY 2012N 2.82 0.58 3.00 -1.23 0.00 -1.26 -5.00 105.19 104.11 1a5u n GLY 2012Ca 0.22 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 1a5u n GLY 2012CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 2013N -2.42 0.57 -0.90 4.61 0.00 -0.57 -5.07 121.76 117.98 1a5u s ALA 2013Ca 0.01 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 1a5u s ALA 2013Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1a5u s ALA 2013CO 0.01 0.10 1.87 0.00 0.00 0.00 0.00 175.76 177.74 1a5u s ALA 2014N -0.44 1.85 -0.39 0.00 0.00 -1.26 -4.92 121.76 116.59 1a5u s ALA 2014Ca -0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 51.96 50.36 1a5u s ALA 2014Cb -0.04 -4.53 0.08 0.00 0.00 0.00 0.00 23.12 18.63 1a5u s ALA 2014CO -0.00 -4.58 0.18 0.08 0.00 0.00 0.00 175.76 171.44 1a5u s VAL 2015N 9.29 3.60 -0.74 0.00 1.01 -1.26 -4.91 120.40 127.39 1a5u s VAL 2015Ca 0.66 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1a5u s VAL 2015Cb -0.06 -3.28 0.19 0.00 0.00 0.00 0.00 36.38 33.23 1a5u s VAL 2015CO -0.00 -0.49 0.68 1.51 0.00 0.00 0.00 175.10 176.79 1a5u s ASP 2016N 1.82 6.53 0.30 3.32 -4.77 -1.26 -5.00 116.67 117.61 1a5u s ASP 2016Ca 0.03 -2.47 0.10 0.00 -3.30 0.00 0.00 52.55 46.91 1a5u s ASP 2016Cb -0.22 -2.19 -0.05 0.00 -1.09 0.00 0.00 42.92 39.37 1a5u s ASP 2016CO -0.01 -0.63 -0.03 -0.76 0.70 0.00 0.00 175.17 174.44 1a5u s LEU 2017N 0.52 3.00 0.30 2.11 1.43 -1.26 -5.11 118.68 119.67 1a5u s LEU 2017Ca 0.14 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.24 1a5u s LEU 2017Cb -0.16 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.51 1a5u s LEU 2017CO -0.06 -0.10 0.70 -2.16 0.23 0.00 0.00 176.35 174.96 1a5u s PRO 2018N -3.67 3.98 0.49 1.29 0.04 -1.26 -4.95 135.00 130.92 1a5u s PRO 2018Ca 0.33 0.61 0.17 0.00 0.04 0.00 0.00 61.00 62.16 1a5u s PRO 2018Cb -0.03 -2.50 1.20 0.00 0.04 0.00 0.00 34.50 33.21 1a5u s PRO 2018CO 0.19 0.20 2.04 0.00 0.04 0.00 0.00 177.00 179.47 1a5u h ALA 2019N 2.39 2.14 -3.25 8.56 0.00 -1.97 -3.36 119.26 123.76 1a5u h ALA 2019Ca -0.48 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 53.98 1a5u h ALA 2019Cb 1.17 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.55 1a5u h ALA 2019CO 0.66 -0.23 -0.77 0.08 0.00 0.00 0.00 179.25 179.00 1a5u s VAL 2020N -5.19 0.39 0.39 0.00 1.01 -1.26 -4.49 120.40 111.25 1a5u s VAL 2020Ca -0.06 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1a5u s VAL 2020Cb 0.19 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1a5u s VAL 2020CO 0.72 0.23 0.57 -0.94 0.00 0.00 0.00 175.10 175.68 1a5u s SER 2021N 1.96 5.92 0.32 3.32 1.04 -1.26 -4.96 113.70 120.05 1a5u s SER 2021Ca 0.05 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.59 1a5u s SER 2021Cb -0.13 -1.44 0.60 0.00 0.10 0.00 0.00 66.02 65.15 1a5u s SER 2021CO -0.06 -0.55 1.92 -0.08 0.98 0.00 0.00 173.24 175.45 1a5u h GLU 2022N 0.64 0.91 -0.43 4.02 4.81 -1.99 0.10 114.58 122.65 1a5u h GLU 2022Ca -0.46 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1a5u h GLU 2022Cb 1.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1a5u h GLU 2022CO 0.56 0.60 0.19 -0.22 -0.73 0.00 0.00 179.01 179.41 1a5u h LYS 2023N 0.94 0.63 -0.79 1.92 3.64 -2.00 -0.87 116.57 120.03 1a5u h LYS 2023Ca 0.37 -0.10 0.11 0.00 -1.27 0.00 0.00 60.65 59.76 1a5u h LYS 2023Cb 0.24 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.87 1a5u h LYS 2023CO -0.14 0.56 0.41 -0.44 -2.27 0.00 0.00 179.45 177.58 1a5u h ASP 2024N 0.55 0.54 -0.46 4.20 3.32 -1.47 -0.74 116.42 122.36 1a5u h ASP 2024Ca 0.15 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.36 1a5u h ASP 2024Cb 0.16 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 1a5u h ASP 2024CO -0.02 0.28 -0.04 0.40 -1.72 0.00 0.00 179.24 178.14 1a5u h ILE 2025N 0.66 0.61 -0.48 0.35 1.08 0.51 -1.74 117.51 118.49 1a5u h ILE 2025Ca 0.41 -0.02 -0.08 0.00 -0.39 0.00 0.00 64.86 64.78 1a5u h ILE 2025Cb 0.48 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 1a5u h ILE 2025CO -0.30 0.01 0.01 1.56 -0.69 0.00 0.00 178.15 178.74 1a5u h GLN 2026N 0.07 0.85 -0.31 2.37 4.20 -0.57 -2.35 115.11 119.37 1a5u h GLN 2026Ca 0.23 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1a5u h GLN 2026Cb 0.34 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1a5u h GLN 2026CO -0.41 0.89 0.17 -0.44 -0.67 0.00 0.00 178.83 178.36 1a5u h ASP 2027N 0.71 0.39 -0.41 1.46 3.32 -0.65 0.15 116.42 121.39 1a5u h ASP 2027Ca 0.14 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1a5u h ASP 2027Cb 0.50 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1a5u h ASP 2027CO 0.02 0.37 0.23 -0.07 -1.72 0.00 0.00 179.24 178.07 1a5u h LEU 2028N 0.38 0.36 -0.86 1.55 3.38 -1.35 0.64 115.31 119.41 1a5u h LEU 2028Ca 0.11 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1a5u h LEU 2028Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1a5u h LEU 2028CO -0.02 0.26 -0.39 0.11 0.09 0.00 0.00 178.44 178.49 1a5u h LYS 2029N 0.46 0.37 -0.44 1.13 1.79 -1.29 -1.08 116.57 117.51 1a5u h LYS 2029Ca 0.17 -0.17 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1a5u h LYS 2029Cb 0.04 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1a5u h LYS 2029CO -0.09 0.70 -0.15 0.35 -1.08 0.00 0.00 179.45 179.17 1a5u h PHE 2030N 0.31 0.92 -0.58 -1.35 3.04 0.46 -1.65 116.94 118.09 1a5u h PHE 2030Ca 0.03 -0.19 -0.04 0.00 3.98 0.00 0.00 57.97 61.75 1a5u h PHE 2030Cb 0.82 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 1a5u h PHE 2030CO 0.02 0.92 0.19 0.78 -2.02 0.00 0.00 178.31 178.20 1a5u h GLY 2031N 0.96 0.92 0.82 2.40 0.00 0.11 0.73 103.07 109.01 1a5u h GLY 2031Ca 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1a5u h GLY 2031CO 0.05 0.47 0.03 -2.08 0.00 0.00 0.00 176.54 175.01 1a5u h VAL 2032N 0.84 1.22 -0.58 4.60 2.07 -0.89 0.24 116.25 123.74 1a5u h VAL 2032Ca 0.19 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1a5u h VAL 2032Cb 0.23 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1a5u h VAL 2032CO -0.01 0.21 0.34 -0.33 0.02 0.00 0.00 177.57 177.80 1a5u h GLU 2033N 0.04 0.79 0.00 1.57 4.39 -0.98 0.28 114.58 120.66 1a5u h GLU 2033Ca 0.05 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1a5u h GLU 2033Cb 0.29 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1a5u h GLU 2033CO 0.00 0.56 0.00 1.04 -1.16 0.00 0.00 179.01 179.45 1a5u n GLN 2034N -4.41 0.24 -3.57 2.33 1.13 0.25 -4.91 117.38 108.44 1a5u n GLN 2034Ca 0.05 0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 54.95 1a5u n GLN 2034Cb 0.08 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.01 1a5u n GLN 2034CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 2035N -1.36 -4.62 -4.69 1.08 2.03 0.98 -4.96 116.55 105.01 1a5u n ASP 2035Ca 0.10 -0.60 -0.29 0.00 0.52 0.00 0.00 54.79 54.53 1a5u n ASP 2035Cb 0.23 -4.95 0.17 0.00 -0.72 0.00 0.00 41.12 35.85 1a5u n ASP 2035CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a5u s VAL 2036N -3.35 2.20 -0.26 5.18 -7.23 -0.32 -4.96 120.40 111.66 1a5u s VAL 2036Ca 0.37 0.07 0.17 0.00 -1.81 0.00 0.00 61.98 60.78 1a5u s VAL 2036Cb -0.17 -2.56 -0.23 0.00 0.56 0.00 0.00 36.38 33.97 1a5u s VAL 2036CO 0.74 -0.09 0.47 0.47 -0.31 0.00 0.00 175.10 176.39 1a5u n ASP 2037N -4.10 1.03 -3.54 4.85 8.00 -0.27 -4.87 116.55 117.64 1a5u n ASP 2037Ca 0.06 -0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.19 1a5u n ASP 2037Cb 0.57 1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 43.16 1a5u n ASP 2037CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5u s MET 2038N -2.97 0.69 -0.07 -1.24 0.23 -1.17 -1.96 119.30 112.80 1a5u s MET 2038Ca -0.02 -0.11 0.05 0.00 -1.03 0.00 0.00 55.69 54.57 1a5u s MET 2038Cb 0.11 0.32 -0.00 0.00 -1.53 0.00 0.00 34.83 33.73 1a5u s MET 2038CO 0.69 -0.27 -0.22 0.08 -2.03 0.00 0.00 175.02 173.27 1a5u s VAL 2039N -2.30 1.87 -0.40 5.16 1.01 0.37 -1.76 120.40 124.36 1a5u s VAL 2039Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1a5u s VAL 2039Cb -0.01 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1a5u s VAL 2039CO -0.05 0.52 0.26 -0.36 0.00 0.00 0.00 175.10 175.47 1a5u s PHE 2040N 0.17 3.25 -0.75 5.22 0.08 0.18 -0.99 117.98 125.14 1a5u s PHE 2040Ca -0.11 -0.85 -0.23 0.00 0.12 0.00 0.00 56.93 55.85 1a5u s PHE 2040Cb -0.15 -2.56 0.06 0.00 -0.57 0.00 0.00 43.02 39.80 1a5u s PHE 2040CO 0.06 -0.65 1.12 0.00 -0.10 0.00 0.00 175.22 175.65 1a5u s ALA 2041N 1.60 3.00 0.60 5.36 0.00 0.04 -1.43 121.76 130.93 1a5u s ALA 2041Ca 0.03 -1.86 -0.19 0.00 0.00 0.00 0.00 51.96 49.95 1a5u s ALA 2041Cb -0.20 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 1a5u s ALA 2041CO 0.08 -3.03 1.10 0.43 0.00 0.00 0.00 175.76 174.34 1a5u n SER 2042N 8.16 1.34 -4.34 0.00 7.64 -1.26 -1.68 113.62 123.48 1a5u n SER 2042Ca 0.05 0.84 -0.32 0.00 1.01 0.00 0.00 58.87 60.44 1a5u n SER 2042Cb 0.47 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 1a5u n SER 2042CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1a5u n PHE 2043N -1.68 -1.26 -2.05 1.43 3.01 -1.24 -4.70 117.46 110.98 1a5u n PHE 2043Ca 0.14 0.62 -0.42 0.00 1.01 0.00 0.00 57.45 58.80 1a5u n PHE 2043Cb 0.47 -2.72 -0.03 0.00 -0.01 0.00 0.00 39.48 37.20 1a5u n PHE 2043CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1a5u s ILE 2044N -4.27 2.81 -0.01 4.37 -1.09 -0.96 -4.84 121.20 117.21 1a5u s ILE 2044Ca 0.09 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1a5u s ILE 2044Cb -0.05 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1a5u s ILE 2044CO 1.00 0.09 0.06 0.54 -1.23 0.00 0.00 174.94 175.40 1a5u n ARG 2045N 2.75 0.37 -3.80 2.79 1.74 -1.26 -4.26 116.66 114.99 1a5u n ARG 2045Ca 0.08 -0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 1a5u n ARG 2045Cb 0.41 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.46 30.78 1a5u n ARG 2045CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1a5u s LYS 2046N -2.14 1.64 0.59 5.56 3.01 -1.26 -4.32 119.74 122.83 1a5u s LYS 2046Ca -0.01 -0.93 0.32 0.00 -1.01 0.00 0.00 55.97 54.34 1a5u s LYS 2046Cb 0.02 0.58 1.87 0.00 -1.01 0.00 0.00 37.83 39.29 1a5u s LYS 2046CO 0.11 -0.73 2.25 0.00 0.51 0.00 0.00 175.35 177.48 1a5u h ALA 2047N 2.05 1.40 -0.02 5.17 0.00 -1.88 -2.13 119.26 123.85 1a5u h ALA 2047Ca -0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a5u h ALA 2047Cb 1.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a5u h ALA 2047CO 0.28 0.02 0.01 0.00 0.00 0.00 0.00 179.25 179.56 1a5u h ALA 2048N 1.98 0.02 -0.50 0.00 0.00 -1.96 0.13 119.26 118.93 1a5u h ALA 2048Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1a5u h ALA 2048Cb 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1a5u h ALA 2048CO 0.00 -0.46 -0.08 -0.44 0.00 0.00 0.00 179.25 178.27 1a5u h ASP 2049N -0.02 -0.38 -0.25 0.00 3.32 -1.79 0.23 116.42 117.52 1a5u h ASP 2049Ca 0.01 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1a5u h ASP 2049Cb 0.04 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1a5u h ASP 2049CO -0.00 -0.14 0.03 0.58 -1.72 0.00 0.00 179.24 177.99 1a5u h VAL 2050N 0.04 0.86 -0.52 -1.35 2.07 -1.40 -0.97 116.25 114.99 1a5u h VAL 2050Ca 0.25 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1a5u h VAL 2050Cb 0.38 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1a5u h VAL 2050CO -0.48 0.02 0.27 0.45 0.02 0.00 0.00 177.57 177.84 1a5u h HIS 2051N 0.12 0.49 -0.99 1.57 3.86 0.41 0.20 115.15 120.81 1a5u h HIS 2051Ca 0.12 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1a5u h HIS 2051Cb 0.13 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1a5u h HIS 2051CO -0.17 0.24 0.64 1.49 0.86 0.00 0.00 177.93 180.99 1a5u h GLU 2052N 0.52 1.32 -0.22 2.45 4.81 -0.16 0.90 114.58 124.20 1a5u h GLU 2052Ca 0.23 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1a5u h GLU 2052Cb 0.13 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1a5u h GLU 2052CO -0.15 0.88 0.09 0.28 -0.73 0.00 0.00 179.01 179.38 1a5u h VAL 2053N 1.35 1.16 -0.60 0.32 2.07 -0.22 0.42 116.25 120.75 1a5u h VAL 2053Ca 0.36 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1a5u h VAL 2053Cb -0.13 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1a5u h VAL 2053CO -0.08 0.16 0.35 -0.09 0.02 0.00 0.00 177.57 177.93 1a5u h ARG 2054N 0.21 0.65 -0.07 1.57 2.43 -0.35 -0.37 114.38 118.45 1a5u h ARG 2054Ca 0.07 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1a5u h ARG 2054Cb 0.16 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1a5u h ARG 2054CO -0.01 0.43 -0.14 -0.22 -1.51 0.00 0.00 179.97 178.52 1a5u h LYS 2055N 0.67 -0.20 -0.55 0.20 3.64 0.15 -0.32 116.57 120.17 1a5u h LYS 2055Ca 0.25 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 1a5u h LYS 2055Cb 0.09 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1a5u h LYS 2055CO -0.13 -0.13 0.37 0.82 -2.27 0.00 0.00 179.45 178.10 1a5u h ILE 2056N -0.20 0.92 0.00 2.00 1.08 0.89 -0.26 117.51 121.93 1a5u h ILE 2056Ca 0.07 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.38 1a5u h ILE 2056Cb 0.30 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1a5u h ILE 2056CO -0.19 0.07 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.12 1a5u h LEU 2057N 0.38 0.00 0.00 1.44 3.38 -0.15 -3.46 115.31 116.90 1a5u h LEU 2057Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1a5u h LEU 2057Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a5u h LEU 2057CO -0.06 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1a5u n GLY 2058N 0.85 0.24 0.29 0.83 0.00 -0.11 -1.12 105.19 106.17 1a5u n GLY 2058Ca 0.02 -0.44 0.09 0.00 0.00 0.00 0.00 46.02 45.70 1a5u n GLY 2058CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1a5u h GLU 2059N 0.00 0.23 -0.59 1.61 4.39 -1.88 -2.03 114.58 116.31 1a5u h GLU 2059Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1a5u h GLU 2059Cb 0.00 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1a5u h GLU 2059CO 0.00 0.16 0.37 -0.22 -1.16 0.00 0.00 179.01 178.15 1a5u h LYS 2060N 0.24 0.72 -0.87 2.33 3.64 -1.98 -2.96 116.57 117.68 1a5u h LYS 2060Ca 0.48 -0.04 -0.57 0.00 -1.27 0.00 0.00 60.65 59.24 1a5u h LYS 2060Cb 0.88 -0.16 -0.30 0.00 -0.41 0.00 0.00 32.23 32.24 1a5u h LYS 2060CO -0.58 0.47 0.38 0.41 -2.27 0.00 0.00 179.45 177.86 1a5u n GLY 2061N -1.26 5.69 0.23 5.01 0.00 -0.27 -4.69 105.19 109.89 1a5u n GLY 2061Ca 0.05 -2.09 0.08 0.00 0.00 0.00 0.00 46.02 44.06 1a5u n GLY 2061CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a5u h LYS 2062N 1.78 0.00 -0.18 1.61 2.10 -1.24 -2.81 116.57 117.83 1a5u h LYS 2062Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 1a5u h LYS 2062Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1a5u h LYS 2062CO 1.22 0.24 0.00 0.09 -2.00 0.00 0.00 179.45 178.99 1a5u n ASN 2063N -3.74 2.36 -4.75 7.07 5.03 -1.26 -4.88 115.26 115.08 1a5u n ASN 2063Ca -0.01 -1.80 -0.40 0.00 0.87 0.00 0.00 54.58 53.24 1a5u n ASN 2063Cb 0.34 -0.11 -0.05 0.00 -1.02 0.00 0.00 39.78 38.94 1a5u n ASN 2063CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 2064N -1.78 4.55 0.08 2.41 1.01 -1.06 -4.96 121.20 121.44 1a5u s ILE 2064Ca 0.34 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.43 1a5u s ILE 2064Cb 0.20 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.46 1a5u s ILE 2064CO 0.30 0.42 1.00 -0.54 0.00 0.00 0.00 174.94 176.11 1a5u s LYS 2065N -0.48 4.63 -0.28 2.79 -0.14 -0.83 -4.92 119.74 120.51 1a5u s LYS 2065Ca 0.39 1.49 -0.08 0.00 -1.36 0.00 0.00 55.97 56.40 1a5u s LYS 2065Cb -0.22 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.52 1a5u s LYS 2065CO 0.25 0.09 0.11 0.42 -0.76 0.00 0.00 175.35 175.47 1a5u s ILE 2066N 0.33 4.45 -0.35 2.17 1.01 -1.26 -0.48 121.20 127.06 1a5u s ILE 2066Ca 0.49 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1a5u s ILE 2066Cb -0.24 -3.18 0.04 0.00 0.01 0.00 0.00 42.46 39.09 1a5u s ILE 2066CO 0.30 0.19 0.14 -0.63 0.00 0.00 0.00 174.94 174.94 1a5u s ILE 2067N 1.61 4.05 0.06 2.92 -1.09 -0.16 -0.63 121.20 127.96 1a5u s ILE 2067Ca 0.05 -1.06 -0.29 0.00 -2.23 0.00 0.00 60.65 57.12 1a5u s ILE 2067Cb -0.16 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1a5u s ILE 2067CO 0.05 -0.21 0.93 -0.44 -1.23 0.00 0.00 174.94 174.04 1a5u s SER 2068N 1.48 7.41 -0.25 3.58 0.01 0.76 -0.78 113.70 125.91 1a5u s SER 2068Ca -0.00 1.69 -0.17 0.00 1.31 0.00 0.00 55.95 58.78 1a5u s SER 2068Cb -0.20 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 1a5u s SER 2068CO 0.04 -0.11 0.45 -0.54 0.41 0.00 0.00 173.24 173.48 1a5u s LYS 2069N 0.31 4.08 -0.37 12.44 1.02 -0.68 -0.65 119.74 135.90 1a5u s LYS 2069Ca 0.47 0.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.50 1a5u s LYS 2069Cb -0.22 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1a5u s LYS 2069CO 0.28 -0.26 0.48 0.42 -0.92 0.00 0.00 175.35 175.34 1a5u s ILE 2070N 2.03 5.04 0.00 2.17 -1.09 -0.69 -2.26 121.20 126.40 1a5u s ILE 2070Ca 0.19 0.11 0.09 0.00 -2.23 0.00 0.00 60.65 58.81 1a5u s ILE 2070Cb -0.16 -3.97 0.14 0.00 -1.58 0.00 0.00 42.46 36.89 1a5u s ILE 2070CO 0.09 -0.27 0.98 -1.84 -1.23 0.00 0.00 174.94 172.67 1a5u n GLU 2071N 5.69 0.00 -3.79 2.79 0.28 -1.26 -1.75 120.64 122.61 1a5u n GLU 2071Ca -0.06 -1.17 -0.09 0.00 -0.16 0.00 0.00 57.16 55.68 1a5u n GLU 2071Cb 0.49 0.13 -0.04 0.00 1.43 0.00 0.00 31.44 33.45 1a5u n GLU 2071CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a5u s ASN 2072N -1.17 -0.25 0.14 -1.84 4.22 -1.26 -3.43 114.94 111.35 1a5u s ASN 2072Ca 0.11 -0.55 -0.19 0.00 -2.14 0.00 0.00 52.86 50.09 1a5u s ASN 2072Cb 0.13 0.61 0.02 0.00 1.28 0.00 0.00 41.25 43.29 1a5u s ASN 2072CO -0.06 -1.12 1.69 -0.74 -2.04 0.00 0.00 177.10 174.84 1a5u h HIS 2073N 2.16 -0.17 -0.73 1.54 -0.00 -1.93 -2.37 115.15 113.66 1a5u h HIS 2073Ca -0.27 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.20 1a5u h HIS 2073Cb 1.26 0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 28.73 1a5u h HIS 2073CO 0.37 -0.13 0.41 1.49 -0.00 0.00 0.00 177.93 180.07 1a5u h GLU 2074N -0.01 0.72 -0.25 5.26 4.81 -1.95 0.14 114.58 123.31 1a5u h GLU 2074Ca 0.13 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1a5u h GLU 2074Cb 0.22 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1a5u h GLU 2074CO -0.29 0.48 -0.04 0.78 -0.73 0.00 0.00 179.01 179.21 1a5u h GLY 2075N 0.74 0.41 0.52 1.92 0.00 -1.64 -0.74 103.07 104.28 1a5u h GLY 2075Ca 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1a5u h GLY 2075CO -0.20 0.22 -0.11 -2.08 0.00 0.00 0.00 176.54 174.37 1a5u h VAL 2076N 0.37 0.81 -0.68 4.60 2.07 -0.55 -2.52 116.25 120.35 1a5u h VAL 2076Ca 0.08 -0.86 0.14 0.00 0.82 0.00 0.00 66.70 66.89 1a5u h VAL 2076Cb 0.31 1.26 -0.11 0.00 -1.52 0.00 0.00 31.29 31.23 1a5u h VAL 2076CO 0.01 0.17 0.10 0.03 0.02 0.00 0.00 177.57 177.90 1a5u h ARG 2077N -0.77 0.20 -0.76 1.57 3.08 -1.04 -1.43 114.38 115.22 1a5u h ARG 2077Ca -0.03 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 1a5u h ARG 2077Cb 0.51 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.39 1a5u h ARG 2077CO 0.05 0.13 0.26 0.54 -1.07 0.00 0.00 179.97 179.88 1a5u n ARG 2078N -5.21 3.71 -0.29 0.04 1.74 -0.29 -4.62 116.66 111.74 1a5u n ARG 2078Ca 0.12 -2.97 0.07 0.00 -0.77 0.00 0.00 57.85 54.29 1a5u n ARG 2078Cb 0.41 -2.20 0.22 0.00 -1.02 0.00 0.00 32.46 29.87 1a5u n ARG 2078CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a5u h PHE 2079N 2.65 0.73 -0.23 -1.55 3.57 -0.79 -1.98 116.94 119.35 1a5u h PHE 2079Ca 0.25 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.84 1a5u h PHE 2079Cb 2.29 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 40.78 1a5u h PHE 2079CO 1.26 0.17 -0.13 -0.44 -2.23 0.00 0.00 178.31 176.94 1a5u h ASP 2080N 0.60 -0.42 -0.48 0.41 3.32 -1.82 -0.10 116.42 117.94 1a5u h ASP 2080Ca 0.45 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.52 1a5u h ASP 2080Cb 0.64 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1a5u h ASP 2080CO -0.36 -0.16 0.00 1.05 -1.72 0.00 0.00 179.24 178.05 1a5u h GLU 2081N -0.11 0.90 0.43 3.56 4.11 -1.88 -2.39 114.58 119.20 1a5u h GLU 2081Ca 0.13 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 1a5u h GLU 2081Cb 0.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1a5u h GLU 2081CO -0.29 0.90 -0.21 0.82 0.07 0.00 0.00 179.01 180.29 1a5u h ILE 2082N 0.84 0.57 -0.61 -1.06 1.08 -0.60 -2.85 117.51 114.87 1a5u h ILE 2082Ca 0.16 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.69 1a5u h ILE 2082Cb 0.50 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 1a5u h ILE 2082CO 0.02 0.00 0.31 0.25 -0.69 0.00 0.00 178.15 178.05 1a5u h LEU 2083N -0.59 0.44 -0.77 1.44 5.85 -1.00 0.77 115.31 121.46 1a5u h LEU 2083Ca -0.06 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1a5u h LEU 2083Cb 0.45 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 1a5u h LEU 2083CO 0.09 0.29 0.41 -0.08 -0.34 0.00 0.00 178.44 178.81 1a5u h GLU 2084N 0.58 0.67 0.00 1.25 4.81 -1.37 -2.06 114.58 118.46 1a5u h GLU 2084Ca 0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1a5u h GLU 2084Cb 0.21 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1a5u h GLU 2084CO -0.20 0.45 -0.28 0.00 -0.73 0.00 0.00 179.01 178.25 1a5u h ALA 2085N 1.45 0.85 -1.90 2.92 0.00 -1.20 -3.47 119.26 117.91 1a5u h ALA 2085Ca 0.38 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.85 1a5u h ALA 2085Cb 0.37 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.22 1a5u h ALA 2085CO -0.26 0.00 0.01 -1.12 0.00 0.00 0.00 179.25 177.88 1a5u s SER 2086N -5.60 5.17 0.20 0.00 0.01 0.22 -4.93 113.70 108.78 1a5u s SER 2086Ca 0.06 0.05 0.21 0.00 1.31 0.00 0.00 55.95 57.57 1a5u s SER 2086Cb 0.08 -0.88 0.01 0.00 0.21 0.00 0.00 66.02 65.44 1a5u s SER 2086CO 0.69 -1.24 1.08 0.44 0.41 0.00 0.00 173.24 174.63 1a5u h ASP 2087N -0.05 0.00 -5.84 2.44 3.32 -1.16 -3.48 116.42 111.65 1a5u h ASP 2087Ca -0.42 0.00 0.35 0.00 0.02 0.00 0.00 57.03 56.98 1a5u h ASP 2087Cb 1.30 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.76 1a5u h ASP 2087CO 0.53 0.17 0.90 -0.83 -1.72 0.00 0.00 179.24 178.29 1a5u s GLY 2088N -4.46 -0.22 0.17 2.75 0.00 -0.92 -4.29 107.32 100.34 1a5u s GLY 2088Ca 0.00 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.04 1a5u s GLY 2088CO 0.78 4.06 -0.13 -0.42 0.00 0.00 0.00 173.10 177.39 1a5u s ILE 2089N -2.11 1.47 -0.04 0.90 -1.09 -0.36 -0.17 121.20 119.80 1a5u s ILE 2089Ca 0.25 -2.08 0.03 0.00 -2.23 0.00 0.00 60.65 56.62 1a5u s ILE 2089Cb 0.01 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1a5u s ILE 2089CO -0.02 -0.62 -0.13 -0.32 -1.23 0.00 0.00 174.94 172.62 1a5u s MET 2090N -3.53 1.48 -0.64 2.79 -2.45 0.18 -1.57 119.30 115.56 1a5u s MET 2090Ca 0.18 -0.45 -0.22 0.00 -1.25 0.00 0.00 55.69 53.95 1a5u s MET 2090Cb -0.00 -1.29 0.07 0.00 1.25 0.00 0.00 34.83 34.86 1a5u s MET 2090CO 0.04 0.14 0.91 0.08 1.05 0.00 0.00 175.02 177.25 1a5u s VAL 2091N 0.25 4.42 -1.31 10.11 1.01 0.70 -1.71 120.40 133.87 1a5u s VAL 2091Ca -0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1a5u s VAL 2091Cb -0.12 -4.64 0.14 0.00 0.00 0.00 0.00 36.38 31.77 1a5u s VAL 2091CO 0.02 -1.37 1.89 0.00 0.00 0.00 0.00 175.10 175.64 1a5u n ALA 2092N 7.44 5.16 -0.09 5.51 0.00 -0.71 -2.52 120.51 135.29 1a5u n ALA 2092Ca -0.05 -4.20 0.25 0.00 0.00 0.00 0.00 53.44 49.44 1a5u n ALA 2092Cb 0.45 -3.13 0.71 0.00 0.00 0.00 0.00 19.45 17.49 1a5u n ALA 2092CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ARG 2093N 6.03 0.00 0.95 0.00 3.08 -1.80 -1.50 114.38 121.14 1a5u h ARG 2093Ca 0.42 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.43 1a5u h ARG 2093Cb 0.67 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1a5u h ARG 2093CO 1.63 0.00 -0.46 0.78 -1.07 0.00 0.00 179.97 180.85 1a5u h GLY 2094N 0.00 -1.33 0.64 0.04 0.00 -1.85 -1.15 103.07 99.41 1a5u h GLY 2094Ca 0.34 0.49 -0.00 0.00 0.00 0.00 0.00 47.33 48.16 1a5u h GLY 2094CO -0.00 -0.49 -0.01 -0.55 0.00 0.00 0.00 176.54 175.49 1a5u h ASP 2095N -1.33 -0.03 -0.88 0.19 3.32 -1.85 -3.30 116.42 112.54 1a5u h ASP 2095Ca -0.13 -0.35 0.14 0.00 0.02 0.00 0.00 57.03 56.71 1a5u h ASP 2095Cb 0.98 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 1a5u h ASP 2095CO 0.21 0.34 -0.38 0.25 -1.72 0.00 0.00 179.24 177.94 1a5u h LEU 2096N -0.39 -1.39 -0.29 1.55 5.85 -1.30 0.10 115.31 119.45 1a5u h LEU 2096Ca -0.00 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1a5u h LEU 2096Cb 0.37 0.71 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1a5u h LEU 2096CO 0.01 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 178.42 1a5u n GLY 2097N -1.46 -0.86 0.01 3.75 0.00 -0.44 -0.60 105.19 105.61 1a5u n GLY 2097Ca 0.08 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1a5u n GLY 2097CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a5u n ILE 2098N -1.71 0.10 0.03 -0.61 0.13 0.21 -3.66 119.36 113.85 1a5u n ILE 2098Ca 0.01 -0.37 -0.10 0.00 -1.10 0.00 0.00 62.75 61.19 1a5u n ILE 2098Cb 0.10 0.07 -0.07 0.00 -0.84 0.00 0.00 39.64 38.90 1a5u n ILE 2098CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1a5u h GLU 2099N 0.00 -0.16 -6.31 9.51 4.39 -0.44 -3.45 114.58 118.13 1a5u h GLU 2099Ca -0.04 0.01 -0.47 0.00 0.34 0.00 0.00 59.36 59.20 1a5u h GLU 2099Cb 0.82 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1a5u h GLU 2099CO 0.00 0.29 -0.29 0.96 -1.16 0.00 0.00 179.01 178.81 1a5u s ILE 2100N -3.03 2.62 0.12 3.13 -4.36 0.23 -4.89 121.20 115.02 1a5u s ILE 2100Ca -0.12 -1.19 -0.31 0.00 -0.26 0.00 0.00 60.65 58.77 1a5u s ILE 2100Cb -0.00 -2.81 -0.10 0.00 1.25 0.00 0.00 42.46 40.80 1a5u s ILE 2100CO 0.45 0.00 1.67 -2.84 0.24 0.00 0.00 174.94 174.46 1a5u s PRO 2101N -4.29 4.18 0.42 0.37 0.02 -1.26 -4.56 135.00 129.88 1a5u s PRO 2101Ca 0.51 2.42 0.18 0.00 0.02 0.00 0.00 61.00 64.14 1a5u s PRO 2101Cb -0.06 -3.43 1.09 0.00 0.02 0.00 0.00 34.50 32.13 1a5u s PRO 2101CO 0.31 -0.72 1.85 0.00 -0.33 0.00 0.00 177.00 178.10 1a5u h ALA 2102N 7.82 2.22 0.00 -1.55 0.00 -1.91 0.58 119.26 126.43 1a5u h ALA 2102Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1a5u h ALA 2102Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a5u h ALA 2102CO 0.93 -0.52 0.00 -0.85 0.00 0.00 0.00 179.25 178.81 1a5u n GLU 2103N -4.51 0.15 0.00 0.00 0.00 -1.26 -2.63 120.64 112.38 1a5u n GLU 2103Ca 0.20 0.34 0.12 0.00 0.00 0.00 0.00 57.16 57.82 1a5u n GLU 2103Cb 0.72 -1.76 0.19 0.00 0.00 0.00 0.00 31.44 30.60 1a5u n GLU 2103CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 2104N -2.03 1.04 -0.04 3.44 5.02 0.20 -4.52 118.16 121.27 1a5u n LYS 2104Ca 0.03 -0.75 -0.08 0.00 -2.02 0.00 0.00 58.31 55.49 1a5u n LYS 2104Cb 0.24 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1a5u n LYS 2104CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5u h VAL 2105N 1.83 0.58 -0.71 -0.18 2.07 -1.48 -1.21 116.25 117.15 1a5u h VAL 2105Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1a5u h VAL 2105Cb 0.63 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1a5u h VAL 2105CO 0.00 0.00 0.47 2.19 0.02 0.00 0.00 177.57 180.25 1a5u h PHE 2106N -0.14 0.44 0.13 1.57 -0.00 -1.82 0.53 116.94 117.65 1a5u h PHE 2106Ca 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.10 1a5u h PHE 2106Cb 0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.14 1a5u h PHE 2106CO -0.31 0.18 -0.06 -0.07 -0.00 0.00 0.00 178.31 178.05 1a5u h LEU 2107N 0.38 -0.14 -0.76 2.10 3.38 -1.52 0.24 115.31 118.99 1a5u h LEU 2107Ca 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1a5u h LEU 2107Cb 0.80 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1a5u h LEU 2107CO -0.10 0.01 0.45 0.00 0.09 0.00 0.00 178.44 178.90 1a5u h ALA 2108N 0.56 0.97 -0.17 1.53 0.00 -1.02 0.25 119.26 121.39 1a5u h ALA 2108Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1a5u h ALA 2108Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1a5u h ALA 2108CO 0.03 0.45 0.02 0.37 0.00 0.00 0.00 179.25 180.12 1a5u h GLN 2109N 1.04 0.09 -0.09 0.00 4.15 0.27 -0.49 115.11 120.08 1a5u h GLN 2109Ca 0.27 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 1a5u h GLN 2109Cb -0.02 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 1a5u h GLN 2109CO -0.05 0.06 -0.05 0.87 -1.93 0.00 0.00 178.83 177.72 1a5u h LYS 2110N 0.09 0.19 -0.49 1.69 1.57 -0.05 -2.44 116.57 117.14 1a5u h LYS 2110Ca 0.08 -0.09 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1a5u h LYS 2110Cb 0.08 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 1a5u h LYS 2110CO -0.11 0.58 -0.07 1.98 -0.57 0.00 0.00 179.45 181.26 1a5u h MET 2111N -0.19 0.04 0.01 3.15 4.05 -0.45 -0.48 114.93 121.07 1a5u h MET 2111Ca 0.02 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1a5u h MET 2111Cb 0.52 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1a5u h MET 2111CO 0.02 0.03 -0.04 0.82 0.23 0.00 0.00 176.91 177.97 1a5u h ILE 2112N 0.04 0.91 -0.56 1.77 2.04 -1.08 -0.25 117.51 120.38 1a5u h ILE 2112Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 1a5u h ILE 2112Cb 0.37 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1a5u h ILE 2112CO -0.46 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.30 1a5u h ILE 2113N -0.07 1.21 -0.17 -0.67 2.04 -1.32 0.14 117.51 118.66 1a5u h ILE 2113Ca 0.01 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1a5u h ILE 2113Cb 0.08 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1a5u h ILE 2113CO -0.03 0.26 -0.04 1.23 0.00 0.00 0.00 178.15 179.57 1a5u h GLY 2114N 0.94 0.35 0.46 5.37 0.00 -0.75 -0.81 103.07 108.63 1a5u h GLY 2114Ca 0.19 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1a5u h GLY 2114CO -0.02 0.26 -0.06 3.21 0.00 0.00 0.00 176.54 179.94 1a5u h ARG 2115N 0.03 0.01 -0.51 4.80 3.08 -0.70 0.91 114.38 122.00 1a5u h ARG 2115Ca 0.04 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1a5u h ARG 2115Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1a5u h ARG 2115CO 0.02 0.01 -0.12 0.00 -1.07 0.00 0.00 179.97 178.80 1a5u h ASN 2117N 0.85 -0.49 0.09 0.00 -0.26 -0.72 1.02 115.58 116.08 1a5u h ASN 2117Ca 0.13 0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.94 1a5u h ASN 2117Cb 0.67 0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 38.05 1a5u h ASN 2117CO 0.05 -0.28 -0.47 -0.09 -1.06 0.00 0.00 177.43 175.58 1a5u h ARG 2118N -0.40 -0.66 -0.05 0.81 2.43 0.11 -1.35 114.38 115.27 1a5u h ARG 2118Ca 0.00 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1a5u h ARG 2118Cb 0.38 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1a5u h ARG 2118CO -0.05 -0.44 0.08 0.00 -1.51 0.00 0.00 179.97 178.06 1a5u h ALA 2119N -0.31 1.43 0.00 2.80 0.00 -0.28 -3.46 119.26 119.45 1a5u h ALA 2119Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5u h ALA 2119Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1a5u h ALA 2119CO -0.28 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.27 1a5u n GLY 2120N -1.27 0.50 3.74 0.00 0.00 0.34 -5.04 105.19 103.46 1a5u n GLY 2120Ca -0.02 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1a5u n GLY 2120CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 2121N -0.51 3.35 0.12 1.61 1.02 -0.18 -4.95 119.74 120.21 1a5u s LYS 2121Ca 0.00 -0.30 -0.35 0.00 0.02 0.00 0.00 55.97 55.34 1a5u s LYS 2121Cb 0.00 -3.02 -0.16 0.00 -0.52 0.00 0.00 37.83 34.13 1a5u s LYS 2121CO 0.00 0.64 1.37 -2.30 -0.92 0.00 0.00 175.35 174.14 1a5u n PRO 2122N 2.38 1.41 -4.69 -1.68 -0.02 -1.26 -4.26 135.00 126.87 1a5u n PRO 2122Ca -0.19 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 61.57 1a5u n PRO 2122Cb 0.54 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 1a5u n PRO 2122CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a5u s VAL 2123N 0.47 1.28 -0.08 -1.45 0.11 -1.26 -1.22 120.40 118.25 1a5u s VAL 2123Ca 0.81 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 1a5u s VAL 2123Cb -0.87 -1.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1a5u s VAL 2123CO 0.46 0.30 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.68 1a5u s ILE 2124N -0.48 1.85 -0.16 7.04 1.01 -0.61 0.26 121.20 130.11 1a5u s ILE 2124Ca 0.06 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 1a5u s ILE 2124Cb -0.07 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1a5u s ILE 2124CO -0.00 0.51 0.19 0.00 0.00 0.00 0.00 174.94 175.64 1a5u s ALA 2126N 0.00 -0.36 0.01 0.00 0.00 -1.05 -1.76 121.76 118.60 1a5u s ALA 2126Ca 0.12 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1a5u s ALA 2126Cb -0.12 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1a5u s ALA 2126CO 0.02 -0.62 0.00 2.41 0.00 0.00 0.00 175.76 177.57 1a5u n THR 2127N -0.18 -1.83 -1.60 0.00 -1.04 -1.26 -3.45 114.28 104.92 1a5u n THR 2127Ca -0.12 0.09 -0.18 0.00 -2.04 0.00 0.00 64.05 61.80 1a5u n THR 2127Cb 0.63 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.40 1a5u n THR 2127CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 2128N -0.16 -1.26 -0.18 -2.82 6.02 -1.26 -4.75 117.38 112.97 1a5u n GLN 2128Ca 0.00 1.10 -0.09 0.00 -0.01 0.00 0.00 57.00 58.00 1a5u n GLN 2128Cb 0.00 -5.38 0.01 0.00 1.02 0.00 0.00 30.24 25.89 1a5u n GLN 2128CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 2129N 0.00 0.86 -0.20 -1.09 2.86 -1.87 -3.24 114.93 112.24 1a5u h MET 2129Ca -0.37 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 56.85 1a5u h MET 2129Cb 1.18 -0.10 -0.23 0.00 0.06 0.00 0.00 31.60 32.51 1a5u h MET 2129CO 0.53 0.86 -0.76 1.28 1.06 0.00 0.00 176.91 179.87 1a5u n LEU 2130N -4.38 2.63 -0.28 1.22 4.77 -1.26 -4.61 117.00 115.09 1a5u n LEU 2130Ca 0.01 -3.53 0.10 0.00 -0.03 0.00 0.00 56.01 52.57 1a5u n LEU 2130Cb 0.27 -0.25 0.21 0.00 -2.33 0.00 0.00 43.42 41.31 1a5u n LEU 2130CO 0.41 1.29 0.61 1.21 -1.33 0.00 0.00 177.39 179.59 1a5u n GLU 2131N -0.59 -0.07 0.22 3.23 4.07 -1.23 0.06 120.64 126.33 1a5u n GLU 2131Ca 0.20 1.21 0.09 0.00 -0.06 0.00 0.00 57.16 58.60 1a5u n GLU 2131Cb 0.87 -1.90 0.64 0.00 -0.06 0.00 0.00 31.44 30.99 1a5u n GLU 2131CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1a5u h SER 2132N 0.00 0.02 0.28 4.31 4.64 -1.91 -2.14 113.55 118.75 1a5u h SER 2132Ca 0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1a5u h SER 2132Cb 0.90 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1a5u h SER 2132CO -0.77 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 175.44 1a5u n MET 2133N -4.52 0.12 -0.08 4.77 2.81 0.11 -1.42 117.12 118.91 1a5u n MET 2133Ca -0.01 0.21 -0.02 0.00 -1.81 0.00 0.00 57.70 56.07 1a5u n MET 2133Cb 0.15 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.38 1a5u n MET 2133CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 2134N 0.00 1.22 0.00 2.02 2.04 -1.52 -3.34 117.51 117.93 1a5u h ILE 2134Ca 0.00 -0.86 -0.32 0.00 1.00 0.00 0.00 64.86 64.68 1a5u h ILE 2134Cb 0.14 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1a5u h ILE 2134CO 0.00 0.31 -2.19 0.29 0.00 0.00 0.00 178.15 176.55 1a5u n LYS 2135N -4.26 0.51 -3.43 2.37 4.76 -1.06 0.04 118.16 117.09 1a5u n LYS 2135Ca 0.03 0.14 -0.24 0.00 -2.87 0.00 0.00 58.31 55.36 1a5u n LYS 2135Cb 0.25 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1a5u n LYS 2135CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 2136N -2.41 3.49 0.00 1.97 1.02 -0.50 -4.83 119.74 118.47 1a5u s LYS 2136Ca -0.29 -0.35 0.21 0.00 0.02 0.00 0.00 55.97 55.57 1a5u s LYS 2136Cb 0.08 -2.68 0.71 0.00 -0.52 0.00 0.00 37.83 35.42 1a5u s LYS 2136CO 0.46 0.18 1.53 -0.35 -0.92 0.00 0.00 175.35 176.25 1a5u n PRO 2137N -1.68 1.81 -4.01 -1.68 -0.04 -1.26 -4.19 135.00 123.96 1a5u n PRO 2137Ca -0.05 -1.22 -0.13 0.00 -0.04 0.00 0.00 63.50 62.06 1a5u n PRO 2137Cb 0.56 -1.41 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 1a5u n PRO 2137CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a5u s ARG 2138N -1.77 0.26 0.67 0.54 0.52 -1.26 -4.91 118.95 113.01 1a5u s ARG 2138Ca 0.33 -0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 55.20 1a5u s ARG 2138Cb 0.18 -0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.54 1a5u s ARG 2138CO 0.27 0.04 0.99 -1.25 0.02 0.00 0.00 175.30 175.36 1a5u s PRO 2139N -0.50 2.44 1.05 3.54 0.04 -1.26 -4.45 135.00 135.86 1a5u s PRO 2139Ca -0.03 -0.13 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 1a5u s PRO 2139Cb -0.04 -2.19 0.24 0.00 0.04 0.00 0.00 34.50 32.56 1a5u s PRO 2139CO -0.00 -1.08 1.28 0.95 0.04 0.00 0.00 177.00 178.19 1a5u s THR 2140N -3.19 1.87 0.13 1.26 -4.23 -1.26 -4.85 115.64 105.38 1a5u s THR 2140Ca 0.58 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.00 1a5u s THR 2140Cb -0.11 -2.86 -0.13 0.00 1.34 0.00 0.00 72.50 70.75 1a5u s THR 2140CO 0.45 0.00 1.37 0.03 -0.54 0.00 0.00 174.62 175.93 1a5u h ARG 2141N -1.98 0.71 -0.14 3.99 2.47 -1.99 -1.56 114.38 115.88 1a5u h ARG 2141Ca -0.44 -0.55 -0.08 0.00 -1.26 0.00 0.00 59.98 57.66 1a5u h ARG 2141Cb 1.24 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.65 1a5u h ARG 2141CO 0.33 1.16 -0.27 0.00 0.56 0.00 0.00 179.97 181.75 1a5u h ALA 2142N 0.69 1.29 0.11 0.04 0.00 -1.99 -2.65 119.26 116.76 1a5u h ALA 2142Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1a5u h ALA 2142Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1a5u h ALA 2142CO 0.14 0.48 -0.05 0.93 0.00 0.00 0.00 179.25 180.75 1a5u h GLU 2143N 0.23 -0.14 -0.80 0.00 5.08 -1.77 -0.62 114.58 116.56 1a5u h GLU 2143Ca 0.03 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1a5u h GLU 2143Cb 0.60 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1a5u h GLU 2143CO 0.04 0.22 0.52 0.78 -1.00 0.00 0.00 179.01 179.58 1a5u h GLY 2144N -0.52 1.01 0.69 -3.84 0.00 -1.18 -2.51 103.07 96.73 1a5u h GLY 2144Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1a5u h GLY 2144CO 0.02 0.14 -0.13 0.23 0.00 0.00 0.00 176.54 176.81 1a5u h SER 2145N 0.67 -0.30 -0.70 0.19 0.87 -1.36 -2.27 113.55 110.64 1a5u h SER 2145Ca 0.38 -0.18 0.12 0.00 -1.23 0.00 0.00 61.79 60.88 1a5u h SER 2145Cb 0.55 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.47 1a5u h SER 2145CO -0.15 0.03 -0.33 -0.78 -0.53 0.00 0.00 176.83 175.07 1a5u h ASP 2146N -0.67 -1.18 -0.43 6.23 3.58 -0.70 0.78 116.42 124.03 1a5u h ASP 2146Ca -0.04 0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1a5u h ASP 2146Cb 0.47 0.61 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 1a5u h ASP 2146CO 0.06 -0.30 0.19 0.58 -2.88 0.00 0.00 179.24 176.89 1a5u h VAL 2147N -0.11 1.19 -0.12 2.25 2.07 -1.49 0.20 116.25 120.24 1a5u h VAL 2147Ca 0.27 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1a5u h VAL 2147Cb 0.56 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1a5u h VAL 2147CO -0.76 0.21 -0.35 0.00 0.02 0.00 0.00 177.57 176.69 1a5u h ALA 2148N 1.03 1.19 0.00 1.67 0.00 -0.39 -2.49 119.26 120.27 1a5u h ALA 2148Ca 0.14 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1a5u h ALA 2148Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a5u h ALA 2148CO -0.01 0.54 -0.85 -0.91 0.00 0.00 0.00 179.25 178.01 1a5u h ASN 2149N 0.21 0.07 -0.68 0.00 4.21 0.86 -2.11 115.58 118.13 1a5u h ASN 2149Ca 0.03 -0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1a5u h ASN 2149Cb 0.72 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.87 1a5u h ASN 2149CO 0.05 0.89 0.27 0.00 -1.29 0.00 0.00 177.43 177.35 1a5u h ALA 2150N 1.11 0.89 -0.23 -0.83 0.00 -0.37 0.38 119.26 120.20 1a5u h ALA 2150Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1a5u h ALA 2150Cb 1.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1a5u h ALA 2150CO 0.12 0.51 0.11 0.28 0.00 0.00 0.00 179.25 180.27 1a5u h VAL 2151N 0.97 1.14 -0.85 0.00 2.07 -1.38 -1.16 116.25 117.04 1a5u h VAL 2151Ca 0.23 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1a5u h VAL 2151Cb 0.21 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1a5u h VAL 2151CO -0.02 0.14 0.55 -0.07 0.02 0.00 0.00 177.57 178.20 1a5u h LEU 2152N 0.25 0.93 -1.68 2.57 3.38 -1.10 0.13 115.31 119.79 1a5u h LEU 2152Ca 0.08 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1a5u h LEU 2152Cb 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1a5u h LEU 2152CO -0.01 0.65 0.34 0.44 0.09 0.00 0.00 178.44 179.95 1a5u h ASP 2153N 1.10 0.34 0.00 -0.43 3.32 0.22 -3.46 116.42 117.51 1a5u h ASP 2153Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1a5u h ASP 2153Cb -0.04 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1a5u h ASP 2153CO -0.10 0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.25 1a5u n GLY 2154N -1.52 1.75 3.76 2.75 0.00 0.46 -4.71 105.19 107.69 1a5u n GLY 2154Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1a5u n GLY 2154CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 2155N -2.00 3.45 0.17 4.61 0.00 -0.79 -4.89 121.76 122.31 1a5u s ALA 2155Ca 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1a5u s ALA 2155Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1a5u s ALA 2155CO 0.00 -0.39 1.40 -0.44 0.00 0.00 0.00 175.76 176.32 1a5u h ASP 2156N 3.59 0.41 -5.18 0.00 5.19 -0.50 -3.45 116.42 116.48 1a5u h ASP 2156Ca -0.48 -0.30 -0.12 0.00 -0.62 0.00 0.00 57.03 55.51 1a5u h ASP 2156Cb 1.22 -0.12 -0.16 0.00 0.18 0.00 0.00 39.33 40.44 1a5u h ASP 2156CO 0.66 1.06 -0.64 0.00 -3.12 0.00 0.00 179.24 177.20 1a5u s ILE 2158N -3.41 1.79 0.07 0.00 -4.36 -0.13 -2.21 121.20 112.95 1a5u s ILE 2158Ca 0.02 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 1a5u s ILE 2158Cb 0.04 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1a5u s ILE 2158CO -0.08 -0.45 -0.06 -0.32 0.24 0.00 0.00 174.94 174.26 1a5u s MET 2159N -3.66 0.71 -0.09 0.37 1.75 -0.72 -1.66 119.30 116.00 1a5u s MET 2159Ca 0.26 -1.17 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1a5u s MET 2159Cb 0.01 -0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.56 1a5u s MET 2159CO 0.10 -0.03 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.78 1a5u s LEU 2160N -2.68 1.75 0.00 4.11 1.43 0.08 -4.14 118.68 119.23 1a5u s LEU 2160Ca 0.06 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1a5u s LEU 2160Cb 0.02 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1a5u s LEU 2160CO -0.05 0.05 0.00 -1.20 0.23 0.00 0.00 176.35 175.38 1a5u n SER 2161N 3.92 0.00 -0.33 2.29 7.64 -1.26 -1.30 113.62 124.58 1a5u n SER 2161Ca -0.20 0.00 0.22 0.00 1.01 0.00 0.00 58.87 59.89 1a5u n SER 2161Cb 0.52 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 64.16 1a5u n SER 2161CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 2162N 0.00 1.94 -0.69 0.23 0.00 -1.96 -0.13 103.07 102.46 1a5u h GLY 2162Ca 0.00 -0.20 0.26 0.00 0.00 0.00 0.00 47.33 47.39 1a5u h GLY 2162CO 0.00 -0.47 0.16 0.83 0.00 0.00 0.00 176.54 177.05 1a5u h GLU 2163N 0.30 0.10 0.00 4.80 3.07 -1.92 0.13 114.58 121.06 1a5u h GLU 2163Ca 0.70 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.52 1a5u h GLU 2163Cb 1.57 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 1a5u h GLU 2163CO -0.62 0.07 -1.72 0.25 -1.40 0.00 0.00 179.01 175.58 1a5u n THR 2164N -5.34 0.15 0.09 1.13 -2.24 -0.27 -3.85 114.28 103.94 1a5u n THR 2164Ca 0.23 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1a5u n THR 2164Cb 0.74 0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 1a5u n THR 2164CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 2165N 1.26 0.17 0.00 6.98 0.00 -0.28 -3.25 119.26 124.13 1a5u h ALA 2165Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1a5u h ALA 2165Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a5u h ALA 2165CO 0.00 0.88 0.00 0.36 0.00 0.00 0.00 179.25 180.50 1a5u n LYS 2166N -3.64 0.00 -1.11 0.00 2.85 0.28 -0.09 118.16 116.46 1a5u n LYS 2166Ca -0.09 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.88 1a5u n LYS 2166Cb 0.96 -0.33 0.22 0.00 -0.65 0.00 0.00 35.03 35.22 1a5u n LYS 2166CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1a5u s GLY 2167N 0.00 1.57 0.26 2.58 0.00 -0.23 -4.77 107.32 106.73 1a5u s GLY 2167Ca 0.00 -0.72 0.24 0.00 0.00 0.00 0.00 44.72 44.24 1a5u s GLY 2167CO 0.00 0.06 1.48 -0.55 0.00 0.00 0.00 173.10 174.09 1a5u h ASP 2168N -2.33 0.00 -1.58 1.64 3.32 -0.63 -3.39 116.42 113.45 1a5u h ASP 2168Ca -0.49 -0.05 -0.49 0.00 0.02 0.00 0.00 57.03 56.02 1a5u h ASP 2168Cb 1.31 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.45 1a5u h ASP 2168CO 0.44 0.03 -0.98 -1.22 -1.72 0.00 0.00 179.24 175.78 1a5u n TYR 2169N -2.56 2.04 -0.30 4.55 4.01 -1.26 -4.95 117.16 118.69 1a5u n TYR 2169Ca 0.04 -3.31 0.08 0.00 -0.16 0.00 0.00 57.90 54.54 1a5u n TYR 2169Cb 0.49 -0.33 0.23 0.00 -0.31 0.00 0.00 39.34 39.42 1a5u n TYR 2169CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a5u h PRO 2170N 2.89 0.63 0.00 -0.72 0.13 -1.77 -2.14 132.00 131.02 1a5u h PRO 2170Ca 0.09 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.00 1a5u h PRO 2170Cb 0.95 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1a5u h PRO 2170CO 0.65 0.42 -0.85 -0.07 -0.23 0.00 0.00 178.00 177.91 1a5u h LEU 2171N 0.65 0.00 0.24 1.56 3.38 -1.92 -3.03 115.31 116.19 1a5u h LEU 2171Ca 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1a5u h LEU 2171Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1a5u h LEU 2171CO -0.36 0.85 -0.12 -0.33 0.09 0.00 0.00 178.44 178.58 1a5u h GLU 2172N 0.00 -0.31 -0.88 1.13 3.07 -1.83 -1.66 114.58 114.10 1a5u h GLU 2172Ca -0.01 0.02 0.23 0.00 -0.50 0.00 0.00 59.36 59.10 1a5u h GLU 2172Cb 1.52 0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 29.35 1a5u h GLU 2172CO 0.11 -0.11 0.11 0.00 -1.40 0.00 0.00 179.01 177.72 1a5u h ALA 2173N 0.27 1.12 0.90 3.43 0.00 -1.44 0.27 119.26 123.80 1a5u h ALA 2173Ca -0.03 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1a5u h ALA 2173Cb 0.35 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1a5u h ALA 2173CO 0.05 -0.50 -0.43 0.28 0.00 0.00 0.00 179.25 178.66 1a5u h VAL 2174N 0.11 0.00 -0.16 0.00 2.07 -1.36 -2.15 116.25 114.76 1a5u h VAL 2174Ca 0.53 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.99 1a5u h VAL 2174Cb 1.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1a5u h VAL 2174CO -0.74 0.00 0.16 0.03 0.02 0.00 0.00 177.57 177.03 1a5u h ARG 2175N -1.31 0.00 -0.19 1.57 3.08 -0.11 -0.14 114.38 117.28 1a5u h ARG 2175Ca -0.12 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 1a5u h ARG 2175Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1a5u h ARG 2175CO 0.20 0.00 -0.45 1.98 -1.07 0.00 0.00 179.97 180.63 1a5u h MET 2176N 0.00 0.63 -0.60 0.04 4.05 -0.40 -0.19 114.93 118.46 1a5u h MET 2176Ca 0.08 -0.43 0.03 0.00 -0.28 0.00 0.00 59.70 59.10 1a5u h MET 2176Cb 0.39 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 1a5u h MET 2176CO -0.00 1.05 0.36 1.96 0.23 0.00 0.00 176.91 180.51 1a5u h GLN 2177N 0.31 0.68 -0.87 0.39 4.20 -0.41 -0.16 115.11 119.25 1a5u h GLN 2177Ca -0.00 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1a5u h GLN 2177Cb 1.06 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.62 1a5u h GLN 2177CO 0.10 0.45 0.52 1.25 -0.67 0.00 0.00 178.83 180.48 1a5u h HIS 2178N 0.70 0.95 -0.09 2.96 2.76 -0.96 -0.91 115.15 120.56 1a5u h HIS 2178Ca 0.25 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.41 1a5u h HIS 2178Cb 0.05 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.71 1a5u h HIS 2178CO -0.06 0.43 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.85 1a5u h LEU 2179N 0.90 0.23 -1.05 0.26 3.38 0.05 -2.89 115.31 116.19 1a5u h LEU 2179Ca 0.40 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1a5u h LEU 2179Cb 0.30 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1a5u h LEU 2179CO -0.22 0.65 0.24 0.40 0.09 0.00 0.00 178.44 179.61 1a5u h ILE 2180N -0.18 1.22 0.03 1.22 2.04 -0.80 -3.11 117.51 117.93 1a5u h ILE 2180Ca 0.02 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1a5u h ILE 2180Cb 0.58 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1a5u h ILE 2180CO 0.02 0.28 -0.08 0.00 0.00 0.00 0.00 178.15 178.37 1a5u h ALA 2181N 1.36 -0.11 -0.10 1.87 0.00 -1.19 -0.79 119.26 120.30 1a5u h ALA 2181Ca 0.21 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1a5u h ALA 2181Cb 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1a5u h ALA 2181CO -0.02 -0.58 -0.15 0.00 0.00 0.00 0.00 179.25 178.51 1a5u h ARG 2182N -0.15 0.16 0.19 0.00 3.08 -1.46 -1.35 114.38 114.84 1a5u h ARG 2182Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1a5u h ARG 2182Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1a5u h ARG 2182CO -0.06 0.31 -0.09 0.93 -1.07 0.00 0.00 179.97 179.99 1a5u h GLU 2183N 0.15 -0.24 -0.41 0.04 4.39 -1.42 -3.07 114.58 114.02 1a5u h GLU 2183Ca 0.03 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1a5u h GLU 2183Cb 0.36 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1a5u h GLU 2183CO 0.02 0.12 0.27 0.00 -1.16 0.00 0.00 179.01 178.27 1a5u h ALA 2184N 0.02 1.74 0.08 3.43 0.00 -1.01 -2.68 119.26 120.84 1a5u h ALA 2184Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1a5u h ALA 2184Cb 0.48 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1a5u h ALA 2184CO 0.04 0.23 -0.19 0.93 0.00 0.00 0.00 179.25 180.27 1a5u h GLU 2185N 0.53 -0.33 0.00 0.00 5.08 -1.27 -1.82 114.58 116.77 1a5u h GLU 2185Ca 0.16 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1a5u h GLU 2185Cb -0.02 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1a5u h GLU 2185CO -0.04 -0.22 -0.13 0.00 -1.00 0.00 0.00 179.01 177.63 1a5u h ALA 2186N 0.51 1.76 0.00 3.43 0.00 -1.39 -2.34 119.26 121.23 1a5u h ALA 2186Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a5u h ALA 2186Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1a5u h ALA 2186CO -0.12 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1a5u n ALA 2187N -2.50 2.60 -1.70 0.00 0.00 -0.71 -4.41 120.51 113.79 1a5u n ALA 2187Ca -0.03 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.95 1a5u n ALA 2187Cb 0.20 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.29 1a5u n ALA 2187CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a5u s MET 2188N -2.00 3.27 -0.98 0.00 -1.94 -0.88 -4.96 119.30 111.82 1a5u s MET 2188Ca 0.36 0.91 -0.02 0.00 -1.71 0.00 0.00 55.69 55.23 1a5u s MET 2188Cb 0.16 -2.04 0.29 0.00 2.01 0.00 0.00 34.83 35.26 1a5u s MET 2188CO 0.28 -0.83 1.26 0.34 -0.01 0.00 0.00 175.02 176.05 1a5u n PHE 2189N -2.77 2.89 -0.31 -0.03 7.35 -1.26 -4.88 117.46 118.45 1a5u n PHE 2189Ca 0.07 -3.11 0.13 0.00 -0.76 0.00 0.00 57.45 53.78 1a5u n PHE 2189Cb 0.54 -1.13 0.31 0.00 0.35 0.00 0.00 39.48 39.54 1a5u n PHE 2189CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1a5u h HIS 2190N 5.28 0.78 -0.07 -5.13 3.86 -1.92 -1.29 115.15 116.65 1a5u h HIS 2190Ca 0.20 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1a5u h HIS 2190Cb 0.65 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1a5u h HIS 2190CO 0.92 0.04 0.01 -0.09 0.86 0.00 0.00 177.93 179.67 1a5u h ARG 2191N 0.51 0.12 -0.17 2.45 1.12 -1.91 0.16 114.38 116.66 1a5u h ARG 2191Ca 0.56 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.37 1a5u h ARG 2191Cb 1.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 1a5u h ARG 2191CO -0.47 0.35 0.03 -0.22 -3.11 0.00 0.00 179.97 176.55 1a5u h LYS 2192N -0.13 0.29 -0.19 0.20 3.64 -1.88 -2.71 116.57 115.79 1a5u h LYS 2192Ca 0.02 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1a5u h LYS 2192Cb 0.29 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1a5u h LYS 2192CO 0.00 0.45 -0.41 1.25 -2.27 0.00 0.00 179.45 178.47 1a5u h LEU 2193N 0.07 -1.34 -0.70 5.20 5.85 -1.21 0.41 115.31 123.59 1a5u h LEU 2193Ca 0.05 0.17 0.14 0.00 0.84 0.00 0.00 57.88 59.08 1a5u h LEU 2193Cb 0.31 0.53 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1a5u h LEU 2193CO 0.00 -0.34 0.20 0.15 -0.34 0.00 0.00 178.44 178.11 1a5u h PHE 2194N -0.38 0.32 -0.77 1.25 3.57 -1.01 0.34 116.94 120.26 1a5u h PHE 2194Ca 0.04 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1a5u h PHE 2194Cb 0.48 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1a5u h PHE 2194CO -0.61 -0.03 0.41 0.93 -2.23 0.00 0.00 178.31 176.77 1a5u h GLU 2195N 0.31 1.07 0.00 1.11 5.08 -0.98 0.40 114.58 121.58 1a5u h GLU 2195Ca 0.39 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1a5u h GLU 2195Cb 0.62 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1a5u h GLU 2195CO -0.45 0.80 -0.59 0.93 -1.00 0.00 0.00 179.01 178.69 1a5u h GLU 2196N 1.06 0.00 0.02 2.33 5.08 0.20 -2.67 114.58 120.60 1a5u h GLU 2196Ca 0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1a5u h GLU 2196Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1a5u h GLU 2196CO -0.04 0.59 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.49 1a5u h LEU 2197N 0.00 -0.02 -0.70 1.33 3.38 0.11 -2.81 115.31 116.61 1a5u h LEU 2197Ca -0.01 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.47 1a5u h LEU 2197Cb 1.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 1a5u h LEU 2197CO 0.08 0.65 0.03 0.00 0.09 0.00 0.00 178.44 179.29 1a5u h ALA 2198N 0.26 0.75 -0.71 1.53 0.00 -0.94 0.14 119.26 120.28 1a5u h ALA 2198Ca -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1a5u h ALA 2198Cb 0.66 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1a5u h ALA 2198CO 0.00 -0.40 0.34 -0.09 0.00 0.00 0.00 179.25 179.11 1a5u h ARG 2199N 0.13 1.02 0.00 0.00 9.65 -1.51 -2.31 114.38 121.37 1a5u h ARG 2199Ca 0.38 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1a5u h ARG 2199Cb 0.65 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1a5u h ARG 2199CO -0.59 0.80 -0.19 0.66 2.80 0.00 0.00 179.97 183.46 1a5u h SER 2200N 0.99 0.00 -0.41 -3.80 4.64 -0.71 -2.22 113.55 112.05 1a5u h SER 2200Ca 0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.48 1a5u h SER 2200Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1a5u h SER 2200CO -0.03 0.19 0.05 -1.54 -0.87 0.00 0.00 176.83 174.63 1a5u n SER 2201N -3.61 3.93 -0.14 4.97 3.41 -0.90 -4.70 113.62 116.59 1a5u n SER 2201Ca -0.01 -3.21 -0.04 0.00 -0.26 0.00 0.00 58.87 55.35 1a5u n SER 2201Cb 0.32 -0.62 0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1a5u n SER 2201CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a5u h SER 2202N 1.95 -0.10 0.00 4.04 4.64 -0.86 -2.12 113.55 121.10 1a5u h SER 2202Ca 0.11 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1a5u h SER 2202Cb 1.73 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1a5u h SER 2202CO 0.39 -0.02 0.18 1.12 -0.87 0.00 0.00 176.83 177.63 1a5u h HIS 2203N 0.16 0.00 -3.55 4.77 2.07 -1.84 -3.41 115.15 113.35 1a5u h HIS 2203Ca 0.22 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.22 1a5u h HIS 2203Cb 0.30 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.25 1a5u h HIS 2203CO -0.25 0.00 -0.02 0.45 -3.07 0.00 0.00 177.93 175.03 1a5u s SER 2204N -4.75 6.71 -0.01 3.10 0.15 -0.80 -4.98 113.70 113.12 1a5u s SER 2204Ca -0.04 1.08 0.01 0.00 0.70 0.00 0.00 55.95 57.70 1a5u s SER 2204Cb 0.11 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1a5u s SER 2204CO 0.33 -0.11 0.71 0.41 1.20 0.00 0.00 173.24 175.78 1a5u n THR 2205N -0.14 0.36 -1.40 6.45 -1.04 -1.26 -5.04 114.28 112.21 1a5u n THR 2205Ca 0.01 -0.37 -0.48 0.00 -2.04 0.00 0.00 64.05 61.17 1a5u n THR 2205Cb 0.53 0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 69.78 1a5u n THR 2205CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1a5u n ASP 2206N -0.20 -1.32 -0.14 8.00 2.03 -1.26 -4.80 116.55 118.86 1a5u n ASP 2206Ca 0.01 1.11 -0.12 0.00 0.52 0.00 0.00 54.79 56.31 1a5u n ASP 2206Cb 0.45 -0.95 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 1a5u n ASP 2206CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1a5u h LEU 2207N 0.97 0.97 -0.27 -2.67 3.38 -1.99 -1.77 115.31 113.94 1a5u h LEU 2207Ca -0.29 -0.42 -0.21 0.00 0.09 0.00 0.00 57.88 57.06 1a5u h LEU 2207Cb 1.44 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1a5u h LEU 2207CO 0.56 1.18 -0.86 -0.03 0.09 0.00 0.00 178.44 179.39 1a5u h MET 2208N 0.77 0.38 -0.04 1.13 4.05 -1.92 -1.20 114.93 118.09 1a5u h MET 2208Ca 0.09 -0.37 0.02 0.00 -0.28 0.00 0.00 59.70 59.16 1a5u h MET 2208Cb 0.84 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.71 1a5u h MET 2208CO 0.07 1.04 -0.09 0.93 0.23 0.00 0.00 176.91 179.09 1a5u h GLU 2209N 0.23 -0.13 -0.31 0.39 5.08 -1.92 0.41 114.58 118.33 1a5u h GLU 2209Ca -0.06 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1a5u h GLU 2209Cb 1.47 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.68 1a5u h GLU 2209CO 0.15 -0.09 -0.21 0.00 -1.00 0.00 0.00 179.01 177.85 1a5u h ALA 2210N 0.88 -0.02 -0.68 3.43 0.00 -1.22 0.19 119.26 121.85 1a5u h ALA 2210Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1a5u h ALA 2210Cb 0.21 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1a5u h ALA 2210CO -0.13 -0.61 0.45 0.52 0.00 0.00 0.00 179.25 179.48 1a5u h MET 2211N -0.19 0.83 0.70 0.00 2.86 -0.51 -0.94 114.93 117.69 1a5u h MET 2211Ca 0.16 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1a5u h MET 2211Cb 0.43 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.91 1a5u h MET 2211CO -0.42 0.55 -0.34 0.00 1.06 0.00 0.00 176.91 177.77 1a5u h ALA 2212N 1.59 -0.94 -0.95 6.32 0.00 0.18 -1.81 119.26 123.64 1a5u h ALA 2212Ca 0.26 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.12 1a5u h ALA 2212Cb -0.01 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1a5u h ALA 2212CO -0.07 -0.88 0.60 0.52 0.00 0.00 0.00 179.25 179.43 1a5u h MET 2213N -1.25 0.73 0.00 0.00 2.86 -0.59 0.28 114.93 116.96 1a5u h MET 2213Ca -0.10 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.38 1a5u h MET 2213Cb 0.73 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1a5u h MET 2213CO 0.16 0.48 -0.59 0.78 1.06 0.00 0.00 176.91 178.80 1a5u h GLY 2214N 0.75 0.00 0.63 8.32 0.00 -1.17 -1.33 103.07 110.27 1a5u h GLY 2214Ca 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.79 1a5u h GLY 2214CO -0.27 0.00 -0.12 1.76 0.00 0.00 0.00 176.54 177.91 1a5u h SER 2215N 0.00 0.25 0.47 0.19 0.02 0.16 -1.62 113.55 113.02 1a5u h SER 2215Ca -0.01 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1a5u h SER 2215Cb 1.11 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1a5u h SER 2215CO 0.08 0.73 -0.23 0.58 -1.14 0.00 0.00 176.83 176.85 1a5u h VAL 2216N -0.23 0.54 -0.46 2.27 2.07 -0.58 -1.84 116.25 118.01 1a5u h VAL 2216Ca 0.01 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1a5u h VAL 2216Cb 0.68 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1a5u h VAL 2216CO 0.03 0.00 -0.50 -0.08 0.02 0.00 0.00 177.57 177.04 1a5u h GLU 2217N -0.63 -0.28 0.00 1.57 4.57 -1.27 0.57 114.58 119.10 1a5u h GLU 2217Ca -0.06 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1a5u h GLU 2217Cb 0.49 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1a5u h GLU 2217CO 0.11 -0.19 -0.01 0.00 -1.18 0.00 0.00 179.01 177.74 1a5u h ALA 2218N -0.09 1.57 -0.08 2.92 0.00 -1.27 -1.37 119.26 120.93 1a5u h ALA 2218Ca 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1a5u h ALA 2218Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a5u h ALA 2218CO -0.59 0.01 -0.57 0.66 0.00 0.00 0.00 179.25 178.77 1a5u h SER 2219N 0.00 0.29 0.04 0.00 4.64 0.94 -0.81 113.55 118.65 1a5u h SER 2219Ca -0.00 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1a5u h SER 2219Cb 0.02 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1a5u h SER 2219CO 0.00 0.80 -0.02 1.88 -0.87 0.00 0.00 176.83 178.62 1a5u h TYR 2220N 0.19 -0.04 0.13 4.77 0.05 -0.18 -0.15 116.97 121.73 1a5u h TYR 2220Ca -0.00 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 1a5u h TYR 2220Cb 1.06 0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 1a5u h TYR 2220CO 0.02 0.24 -0.52 -0.22 -1.05 0.00 0.00 178.16 176.64 1a5u h LYS 2221N -0.33 -0.72 -0.15 4.88 1.63 -0.84 -1.74 116.57 119.29 1a5u h LYS 2221Ca -0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1a5u h LYS 2221Cb 0.31 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1a5u h LYS 2221CO 0.01 -0.48 0.00 0.00 -3.45 0.00 0.00 179.45 175.53 1a5u n LEU 2223N 0.41 -2.86 -4.55 0.00 4.77 -0.14 -4.90 117.00 109.73 1a5u n LEU 2223Ca 0.17 -0.81 -0.34 0.00 -0.03 0.00 0.00 56.01 55.00 1a5u n LEU 2223Cb 0.36 -2.61 0.10 0.00 -2.33 0.00 0.00 43.42 38.94 1a5u n LEU 2223CO 0.14 0.44 0.33 0.00 -1.33 0.00 0.00 177.39 176.97 1a5u n ALA 2224N -4.45 -1.08 0.40 -1.18 0.00 -0.79 -4.89 120.51 108.52 1a5u n ALA 2224Ca -0.16 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.07 1a5u n ALA 2224Cb 0.62 -2.01 0.46 0.00 0.00 0.00 0.00 19.45 18.52 1a5u n ALA 2224CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a5u h ALA 2225N -0.80 1.00 0.00 0.00 0.00 -1.03 -3.44 119.26 114.99 1a5u h ALA 2225Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a5u h ALA 2225Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1a5u h ALA 2225CO 0.42 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1a5u n ALA 2226N -1.92 0.00 -3.34 0.00 0.00 -1.26 -4.21 120.51 109.79 1a5u n ALA 2226Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 1a5u n ALA 2226Cb 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.65 1a5u n ALA 2226CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a5u s LEU 2227N 0.00 2.40 -0.24 0.00 1.02 1.00 -1.56 118.68 121.30 1a5u s LEU 2227Ca 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 54.13 53.58 1a5u s LEU 2227Cb 0.00 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 1a5u s LEU 2227CO 0.00 0.12 0.13 -0.63 0.02 0.00 0.00 176.35 175.99 1a5u s ILE 2228N 0.60 5.08 -0.12 -0.59 1.01 0.16 0.99 121.20 128.33 1a5u s ILE 2228Ca -0.10 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.65 1a5u s ILE 2228Cb -0.16 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1a5u s ILE 2228CO 0.03 0.35 -0.15 -0.69 0.00 0.00 0.00 174.94 174.48 1a5u s VAL 2229N 1.14 1.56 -0.38 2.92 1.01 0.88 -0.15 120.40 127.38 1a5u s VAL 2229Ca 0.06 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1a5u s VAL 2229Cb -0.14 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1a5u s VAL 2229CO 0.05 0.45 0.75 -0.76 0.00 0.00 0.00 175.10 175.59 1a5u s LEU 2230N 1.15 4.18 -0.01 3.92 1.02 0.35 -2.06 118.68 127.23 1a5u s LEU 2230Ca -0.03 0.22 -0.03 0.00 0.02 0.00 0.00 54.13 54.31 1a5u s LEU 2230Cb -0.14 -2.96 -0.00 0.00 0.02 0.00 0.00 46.19 43.10 1a5u s LEU 2230CO -0.05 -0.74 0.07 0.28 0.02 0.00 0.00 176.35 175.94 1a5u s THR 2231N 3.05 0.05 -0.19 5.49 -1.32 -0.92 -4.79 115.64 117.02 1a5u s THR 2231Ca 0.30 -0.44 -0.06 0.00 -1.21 0.00 0.00 61.69 60.28 1a5u s THR 2231Cb -0.13 -0.25 -0.09 0.00 -1.51 0.00 0.00 72.50 70.51 1a5u s THR 2231CO 0.17 -0.24 -0.21 -0.62 -2.21 0.00 0.00 174.62 171.51 1a5u n GLU 2232N 2.19 0.42 0.24 7.08 -0.58 -1.26 -4.04 120.64 124.69 1a5u n GLU 2232Ca -0.18 0.15 0.13 0.00 -0.42 0.00 0.00 57.16 56.84 1a5u n GLU 2232Cb 0.57 -1.24 0.31 0.00 -0.57 0.00 0.00 31.44 30.51 1a5u n GLU 2232CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a5u h SER 2233N -0.43 0.00 0.00 1.62 4.64 -1.98 -3.44 113.55 113.96 1a5u h SER 2233Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1a5u h SER 2233Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1a5u h SER 2233CO -0.21 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.36 1a5u n GLY 2234N 0.82 1.26 0.20 -0.77 0.00 -1.26 -4.92 105.19 100.52 1a5u n GLY 2234Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1a5u n GLY 2234CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a5u h ARG 2235N 3.18 -0.22 -0.55 1.61 3.08 -1.94 -1.58 114.38 117.96 1a5u h ARG 2235Ca 0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1a5u h ARG 2235Cb 0.00 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 1a5u h ARG 2235CO 0.00 -0.15 0.18 0.77 -1.07 0.00 0.00 179.97 179.70 1a5u h SER 2236N -0.23 0.15 -0.17 7.04 0.02 -1.92 -2.26 113.55 116.18 1a5u h SER 2236Ca 0.07 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1a5u h SER 2236Cb 0.33 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1a5u h SER 2236CO -0.20 0.10 0.09 0.00 -1.14 0.00 0.00 176.83 175.68 1a5u h ALA 2237N 1.39 0.22 -0.63 3.77 0.00 -1.81 -2.68 119.26 119.52 1a5u h ALA 2237Ca 0.27 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.23 1a5u h ALA 2237Cb 0.33 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1a5u h ALA 2237CO -0.30 -0.22 0.13 0.45 0.00 0.00 0.00 179.25 179.31 1a5u h HIS 2238N 0.16 0.20 0.00 0.00 -0.00 -0.94 0.11 115.15 114.68 1a5u h HIS 2238Ca 0.06 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.46 1a5u h HIS 2238Cb 0.10 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1a5u h HIS 2238CO -0.03 -0.05 -0.05 0.37 -0.00 0.00 0.00 177.93 178.17 1a5u h GLN 2239N 0.25 0.00 0.21 2.45 5.75 -1.21 -1.50 115.11 121.07 1a5u h GLN 2239Ca 0.34 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1a5u h GLN 2239Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1a5u h GLN 2239CO -0.44 0.05 -0.10 0.28 -2.65 0.00 0.00 178.83 175.97 1a5u h VAL 2240N 0.00 0.45 -0.54 2.39 2.07 -0.51 -3.29 116.25 116.82 1a5u h VAL 2240Ca -0.00 -0.98 0.16 0.00 0.82 0.00 0.00 66.70 66.69 1a5u h VAL 2240Cb 0.10 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1a5u h VAL 2240CO 0.01 0.12 0.66 0.00 0.02 0.00 0.00 177.57 178.38 1a5u h ALA 2241N -0.71 2.28 0.00 1.67 0.00 -0.69 0.51 119.26 122.32 1a5u h ALA 2241Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1a5u h ALA 2241Cb 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1a5u h ALA 2241CO 0.05 -0.94 -0.22 0.07 0.00 0.00 0.00 179.25 178.21 1a5u h ARG 2242N 0.00 0.00 -0.11 0.00 0.11 -1.35 -3.07 114.38 109.96 1a5u h ARG 2242Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 1a5u h ARG 2242Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1a5u h ARG 2242CO -0.00 0.22 0.00 0.66 0.10 0.00 0.00 179.97 180.94 1a5u n TYR 2243N -3.19 0.13 -3.41 4.08 4.01 0.18 -4.98 117.16 113.99 1a5u n TYR 2243Ca 0.02 -0.07 -0.25 0.00 -0.16 0.00 0.00 57.90 57.45 1a5u n TYR 2243Cb 0.57 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.62 1a5u n TYR 2243CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a5u n ARG 2244N 0.09 -1.84 -2.00 -0.72 5.12 -1.16 -4.71 116.66 111.44 1a5u n ARG 2244Ca 0.17 1.39 -0.28 0.00 -1.93 0.00 0.00 57.85 57.19 1a5u n ARG 2244Cb 0.29 -3.26 0.08 0.00 -1.16 0.00 0.00 32.46 28.41 1a5u n ARG 2244CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a5u s PRO 2245N -3.23 2.10 -0.05 5.56 0.04 -1.26 -4.91 135.00 133.25 1a5u s PRO 2245Ca 0.21 0.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.13 1a5u s PRO 2245Cb -0.03 -2.02 -0.31 0.00 0.04 0.00 0.00 34.50 32.18 1a5u s PRO 2245CO 0.85 -1.45 0.72 0.00 0.04 0.00 0.00 177.00 177.16 1a5u h ARG 2246N -0.89 0.38 -7.32 4.56 3.08 -1.94 -3.47 114.38 108.78 1a5u h ARG 2246Ca -0.45 -0.65 -0.51 0.00 0.07 0.00 0.00 59.98 58.43 1a5u h ARG 2246Cb 1.32 0.24 0.13 0.00 0.08 0.00 0.00 29.97 31.74 1a5u h ARG 2246CO 0.64 1.31 0.32 0.00 -1.07 0.00 0.00 179.97 181.18 1a5u s ALA 2247N -2.55 2.26 0.18 0.04 0.00 -1.26 -4.99 121.76 115.45 1a5u s ALA 2247Ca -0.15 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 1a5u s ALA 2247Cb 0.04 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1a5u s ALA 2247CO 0.85 -1.72 1.16 -2.14 0.00 0.00 0.00 175.76 173.90 1a5u s PRO 2248N -4.94 4.53 -0.33 0.00 0.01 -1.26 -4.76 135.00 128.25 1a5u s PRO 2248Ca 0.61 1.81 -0.16 0.00 0.01 0.00 0.00 61.00 63.27 1a5u s PRO 2248Cb -0.16 -3.26 -0.02 0.00 0.01 0.00 0.00 34.50 31.07 1a5u s PRO 2248CO 0.56 -0.03 0.39 0.42 0.01 0.00 0.00 177.00 178.36 1a5u s ILE 2249N -0.12 5.14 -0.31 2.83 1.01 0.75 -0.00 121.20 130.50 1a5u s ILE 2249Ca 0.51 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.28 1a5u s ILE 2249Cb -0.31 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1a5u s ILE 2249CO 0.36 -0.06 0.15 -0.63 0.00 0.00 0.00 174.94 174.75 1a5u s ILE 2250N 2.10 4.58 -0.46 2.92 1.01 0.28 -0.87 121.20 130.75 1a5u s ILE 2250Ca 0.14 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1a5u s ILE 2250Cb -0.16 -3.32 0.09 0.00 0.01 0.00 0.00 42.46 39.07 1a5u s ILE 2250CO 0.12 0.08 0.35 0.00 0.00 0.00 0.00 174.94 175.48 1a5u s ALA 2251N 1.61 3.44 -0.24 9.38 0.00 -0.85 -0.08 121.76 135.03 1a5u s ALA 2251Ca 0.05 -2.21 -0.25 0.00 0.00 0.00 0.00 51.96 49.55 1a5u s ALA 2251Cb -0.17 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1a5u s ALA 2251CO 0.06 -1.74 0.84 0.08 0.00 0.00 0.00 175.76 175.00 1a5u s VAL 2252N 1.52 4.83 0.05 0.00 1.01 -0.87 0.16 120.40 127.09 1a5u s VAL 2252Ca 0.04 1.61 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 1a5u s VAL 2252Cb -0.24 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1a5u s VAL 2252CO 0.04 -0.07 0.02 0.28 0.00 0.00 0.00 175.10 175.37 1a5u s THR 2253N 2.82 0.18 -0.86 3.92 -1.32 -0.35 -2.16 115.64 117.86 1a5u s THR 2253Ca 0.36 -1.44 0.21 0.00 -1.21 0.00 0.00 61.69 59.60 1a5u s THR 2253Cb -0.15 -1.17 -0.24 0.00 -1.51 0.00 0.00 72.50 69.43 1a5u s THR 2253CO 0.08 -0.80 0.85 0.54 -2.21 0.00 0.00 174.62 173.07 1a5u n ARG 2254N 0.47 0.10 -2.95 7.08 1.74 -1.26 0.08 116.66 121.91 1a5u n ARG 2254Ca -0.17 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.46 1a5u n ARG 2254Cb 0.60 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 1a5u n ARG 2254CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 2255N -3.22 6.49 0.19 0.55 3.84 -1.26 -4.85 114.94 116.67 1a5u s ASN 2255Ca 0.06 0.16 -0.11 0.00 0.21 0.00 0.00 52.86 53.18 1a5u s ASN 2255Cb 0.16 -2.39 0.10 0.00 -0.55 0.00 0.00 41.25 38.56 1a5u s ASN 2255CO 0.87 -0.82 1.75 0.45 -2.79 0.00 0.00 177.10 176.57 1a5u h HIS 2256N 8.71 0.98 -0.52 0.43 3.86 -1.95 -2.29 115.15 124.37 1a5u h HIS 2256Ca -0.25 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 58.79 1a5u h HIS 2256Cb 1.09 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 1a5u h HIS 2256CO 0.80 0.76 -0.11 0.37 0.86 0.00 0.00 177.93 180.60 1a5u h GLN 2257N 0.92 0.98 0.08 2.45 4.15 -1.97 -1.53 115.11 120.20 1a5u h GLN 2257Ca 0.22 -0.36 0.02 0.00 0.77 0.00 0.00 58.65 59.31 1a5u h GLN 2257Cb 0.18 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1a5u h GLN 2257CO -0.02 1.03 -0.33 1.15 -1.93 0.00 0.00 178.83 178.74 1a5u h THR 2258N 0.87 0.30 -0.99 2.39 2.02 -1.83 0.82 112.91 116.51 1a5u h THR 2258Ca 0.14 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.46 1a5u h THR 2258Cb 0.67 0.30 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 1a5u h THR 2258CO 0.05 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.55 1a5u h ALA 2259N 0.13 1.53 -0.21 6.16 0.00 -1.22 0.30 119.26 125.95 1a5u h ALA 2259Ca 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 2259Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a5u h ALA 2259CO -0.22 0.13 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 1a5u h ARG 2260N 0.90 0.50 0.00 0.00 3.08 -0.26 -3.18 114.38 115.44 1a5u h ARG 2260Ca 0.51 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 1a5u h ARG 2260Cb 0.60 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1a5u h ARG 2260CO -0.30 0.84 -0.17 1.96 -1.07 0.00 0.00 179.97 181.23 1a5u h GLN 2261N 0.18 0.00 -0.82 0.04 4.20 0.23 -3.23 115.11 115.71 1a5u h GLN 2261Ca 0.03 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.92 1a5u h GLN 2261Cb 0.75 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1a5u h GLN 2261CO 0.05 0.17 0.55 0.00 -0.67 0.00 0.00 178.83 178.93 1a5u h ALA 2262N 1.83 2.21 0.00 3.87 0.00 -0.46 -2.74 119.26 123.95 1a5u h ALA 2262Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 2262Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a5u h ALA 2262CO 0.02 -0.45 0.06 0.72 0.00 0.00 0.00 179.25 179.61 1a5u n HIS 2263N -4.48 0.00 0.59 0.00 8.25 -1.22 -0.58 115.22 117.78 1a5u n HIS 2263Ca 0.17 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 1a5u n HIS 2263Cb 0.63 -0.37 0.34 0.00 1.12 0.00 0.00 29.99 31.71 1a5u n HIS 2263CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1a5u h LEU 2264N 0.00 0.00 -8.95 2.41 3.38 -1.77 -3.40 115.31 106.98 1a5u h LEU 2264Ca 0.00 -0.04 -0.65 0.00 0.09 0.00 0.00 57.88 57.28 1a5u h LEU 2264Cb 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.67 1a5u h LEU 2264CO 0.00 0.02 -0.66 -0.31 0.09 0.00 0.00 178.44 177.58 1a5u s TYR 2265N -3.12 3.03 0.18 1.13 1.51 0.25 -4.55 117.35 115.79 1a5u s TYR 2265Ca 0.09 -0.17 -0.33 0.00 -1.01 0.00 0.00 57.07 55.65 1a5u s TYR 2265Cb 0.12 -1.90 -0.14 0.00 -0.11 0.00 0.00 41.96 39.94 1a5u s TYR 2265CO 0.63 0.10 1.50 -2.13 -1.11 0.00 0.00 175.55 174.54 1a5u n ARG 2266N 3.13 2.03 -0.93 -0.62 3.00 -1.26 -2.86 116.66 119.14 1a5u n ARG 2266Ca -0.18 0.73 0.00 0.00 -0.00 0.00 0.00 57.85 58.40 1a5u n ARG 2266Cb 0.53 -2.45 0.00 0.00 0.00 0.00 0.00 32.46 30.54 1a5u n ARG 2266CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a5u n GLY 2267N 2.94 0.36 3.52 5.14 0.00 0.44 -4.58 105.19 113.01 1a5u n GLY 2267Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1a5u n GLY 2267CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 2268N -1.89 5.13 -0.67 -0.61 1.01 -1.13 -0.17 121.20 122.86 1a5u s ILE 2268Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1a5u s ILE 2268Cb 0.00 -3.92 0.17 0.00 0.01 0.00 0.00 42.46 38.72 1a5u s ILE 2268CO 0.00 -0.23 0.59 -0.36 0.00 0.00 0.00 174.94 174.94 1a5u s PHE 2269N 2.09 3.53 0.20 3.97 0.40 -0.05 -4.49 117.98 123.62 1a5u s PHE 2269Ca 0.12 -1.86 -0.30 0.00 -0.60 0.00 0.00 56.93 54.29 1a5u s PHE 2269Cb -0.17 -3.69 -0.08 0.00 0.51 0.00 0.00 43.02 39.59 1a5u s PHE 2269CO 0.12 -0.98 1.21 -1.25 0.70 0.00 0.00 175.22 175.03 1a5u s PRO 2270N 0.73 4.48 -0.18 0.24 0.04 -1.26 -2.01 135.00 137.03 1a5u s PRO 2270Ca 0.12 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1a5u s PRO 2270Cb -0.19 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.16 1a5u s PRO 2270CO -0.04 -0.10 -0.12 0.08 0.04 0.00 0.00 177.00 176.87 1a5u s VAL 2271N -0.17 1.64 -0.50 -0.36 1.01 0.12 -4.76 120.40 117.39 1a5u s VAL 2271Ca 0.53 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1a5u s VAL 2271Cb -0.34 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1a5u s VAL 2271CO 0.38 0.28 1.29 -0.69 0.00 0.00 0.00 175.10 176.36 1a5u s VAL 2272N 1.42 3.98 -0.28 2.92 1.01 -1.26 -1.21 120.40 126.98 1a5u s VAL 2272Ca 0.01 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1a5u s VAL 2272Cb -0.15 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1a5u s VAL 2272CO -0.09 -1.03 1.09 0.00 0.00 0.00 0.00 175.10 175.07 1a5u n LYS 2274N 6.71 0.19 -2.07 0.00 5.02 -1.26 -4.46 118.16 122.30 1a5u n LYS 2274Ca 0.12 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 1a5u n LYS 2274Cb 0.47 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.94 1a5u n LYS 2274CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 2275N -3.60 5.32 0.22 4.39 1.11 -1.26 -4.99 116.67 117.87 1a5u s ASP 2275Ca 0.06 2.35 -0.30 0.00 0.18 0.00 0.00 52.55 54.84 1a5u s ASP 2275Cb 0.15 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 41.46 1a5u s ASP 2275CO 0.79 -1.50 0.97 -2.16 1.18 0.00 0.00 175.17 174.45 1a5u s PRO 2276N -3.30 4.80 -0.37 8.23 0.04 -1.26 -4.95 135.00 138.20 1a5u s PRO 2276Ca 0.76 1.53 -0.38 0.00 0.04 0.00 0.00 61.00 62.95 1a5u s PRO 2276Cb -0.29 -3.28 -0.14 0.00 0.04 0.00 0.00 34.50 30.82 1a5u s PRO 2276CO 0.32 0.43 2.08 0.28 0.04 0.00 0.00 177.00 180.15 1a5u n VAL 2277N 1.67 0.17 -1.76 -0.36 0.31 -1.26 -4.91 118.33 112.19 1a5u n VAL 2277Ca -0.01 -0.16 -0.40 0.00 -0.01 0.00 0.00 64.34 63.77 1a5u n VAL 2277Cb 0.47 -1.30 0.02 0.00 -0.91 0.00 0.00 33.84 32.13 1a5u n VAL 2277CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a5u n GLN 2278N 7.44 2.14 0.13 5.55 1.13 -1.26 -4.91 117.38 127.61 1a5u n GLN 2278Ca 0.41 0.77 0.12 0.00 -1.94 0.00 0.00 57.00 56.36 1a5u n GLN 2278Cb 0.15 -2.63 0.47 0.00 0.11 0.00 0.00 30.24 28.33 1a5u n GLN 2278CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1a5u n GLU 2279N -0.40 0.22 -4.29 -1.09 0.28 -1.26 -4.60 120.64 109.50 1a5u n GLU 2279Ca 0.06 0.36 -0.34 0.00 -0.16 0.00 0.00 57.16 57.08 1a5u n GLU 2279Cb 0.42 -1.86 -0.14 0.00 1.43 0.00 0.00 31.44 31.29 1a5u n GLU 2279CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a5u s ALA 2280N -3.25 2.67 0.21 -1.84 0.00 -1.26 -5.01 121.76 113.27 1a5u s ALA 2280Ca 0.06 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 1a5u s ALA 2280Cb 0.10 -1.43 0.20 0.00 0.00 0.00 0.00 23.12 22.00 1a5u s ALA 2280CO 0.47 -0.14 1.58 2.35 0.00 0.00 0.00 175.76 180.02 1a5u h TRP 2281N 7.50 -0.86 -0.04 0.00 -0.00 -2.00 -1.18 115.95 119.37 1a5u h TRP 2281Ca -0.36 0.08 0.01 0.00 -0.00 0.00 0.00 58.89 58.63 1a5u h TRP 2281Cb 1.18 0.49 -0.03 0.00 -0.00 0.00 0.00 29.16 30.80 1a5u h TRP 2281CO 0.54 -0.38 -0.23 0.00 -0.00 0.00 0.00 178.44 178.36 1a5u h ALA 2282N 1.27 -0.65 -1.00 2.65 0.00 -1.95 0.95 119.26 120.54 1a5u h ALA 2282Ca 0.30 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.34 1a5u h ALA 2282Cb 0.57 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1a5u h ALA 2282CO -0.80 -0.73 0.62 1.05 0.00 0.00 0.00 179.25 179.40 1a5u h GLU 2283N -0.26 0.81 0.18 0.00 4.11 -1.83 0.23 114.58 117.82 1a5u h GLU 2283Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1a5u h GLU 2283Cb 0.30 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1a5u h GLU 2283CO -0.18 0.54 -0.08 0.22 0.07 0.00 0.00 179.01 179.57 1a5u h ASP 2284N 0.83 -0.20 0.25 3.06 3.58 -0.59 0.69 116.42 124.04 1a5u h ASP 2284Ca 0.54 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.98 1a5u h ASP 2284Cb 0.75 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 1a5u h ASP 2284CO -0.32 -0.12 -0.38 0.58 -2.88 0.00 0.00 179.24 176.12 1a5u h VAL 2285N -0.27 0.22 -0.96 2.25 2.07 0.20 -1.63 116.25 118.14 1a5u h VAL 2285Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1a5u h VAL 2285Cb 0.21 0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 1a5u h VAL 2285CO 0.04 0.00 0.57 0.44 0.02 0.00 0.00 177.57 178.64 1a5u h ASP 2286N -0.70 0.76 0.20 0.57 5.19 -0.36 -1.23 116.42 120.85 1a5u h ASP 2286Ca -0.00 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1a5u h ASP 2286Cb 0.67 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.08 1a5u h ASP 2286CO -0.14 0.33 -0.40 0.25 -3.12 0.00 0.00 179.24 176.16 1a5u h LEU 2287N 0.80 -1.14 -0.95 1.55 5.85 0.11 -0.96 115.31 120.57 1a5u h LEU 2287Ca 0.52 0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.43 1a5u h LEU 2287Cb 0.69 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1a5u h LEU 2287CO -0.34 -0.49 0.60 0.03 -0.34 0.00 0.00 178.44 177.91 1a5u h ARG 2288N -0.68 1.05 -0.68 1.25 3.08 -0.34 -1.48 114.38 116.58 1a5u h ARG 2288Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1a5u h ARG 2288Cb 0.68 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1a5u h ARG 2288CO -0.19 0.69 0.40 0.28 -1.07 0.00 0.00 179.97 180.09 1a5u h VAL 2289N 1.08 1.20 -0.65 2.04 2.07 -1.00 -0.58 116.25 120.42 1a5u h VAL 2289Ca 0.42 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1a5u h VAL 2289Cb 0.21 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1a5u h VAL 2289CO -0.19 0.21 0.36 0.78 0.02 0.00 0.00 177.57 178.75 1a5u h ASN 2290N 0.92 0.81 -0.53 0.57 2.35 -0.58 0.66 115.58 119.77 1a5u h ASN 2290Ca 0.24 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1a5u h ASN 2290Cb -0.01 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 38.09 1a5u h ASN 2290CO -0.04 0.67 0.17 0.25 -1.65 0.00 0.00 177.43 176.83 1a5u h LEU 2291N 0.88 0.14 -0.04 1.61 5.85 -0.24 0.32 115.31 123.84 1a5u h LEU 2291Ca 0.23 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1a5u h LEU 2291Cb 0.04 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1a5u h LEU 2291CO -0.04 0.10 -0.01 0.00 -0.34 0.00 0.00 178.44 178.16 1a5u h ALA 2292N 1.38 0.05 -1.00 1.25 0.00 -0.43 -1.39 119.26 119.11 1a5u h ALA 2292Ca 0.26 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.24 1a5u h ALA 2292Cb 0.32 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.97 1a5u h ALA 2292CO -0.29 -0.26 0.59 1.98 0.00 0.00 0.00 179.25 181.28 1a5u h MET 2293N -0.27 0.54 -0.03 0.00 1.85 0.11 -0.44 114.93 116.70 1a5u h MET 2293Ca 0.01 -0.03 -0.16 0.00 -0.61 0.00 0.00 59.70 58.90 1a5u h MET 2293Cb 0.37 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.27 1a5u h MET 2293CO 0.00 0.36 -0.72 -0.91 -0.40 0.00 0.00 176.91 175.24 1a5u h ASN 2294N 0.56 0.21 0.17 1.39 -0.26 -0.04 -2.32 115.58 115.29 1a5u h ASN 2294Ca 0.65 -0.14 -0.27 0.00 -0.56 0.00 0.00 56.30 55.99 1a5u h ASN 2294Cb 1.27 -0.06 0.02 0.00 -1.06 0.00 0.00 38.32 38.49 1a5u h ASN 2294CO -0.49 0.85 -1.09 0.58 -1.06 0.00 0.00 177.43 176.23 1a5u h VAL 2295N 0.12 1.33 -0.19 2.81 2.07 -0.02 -1.22 116.25 121.14 1a5u h VAL 2295Ca -0.02 -2.41 0.03 0.00 0.82 0.00 0.00 66.70 65.12 1a5u h VAL 2295Cb 1.27 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 33.53 1a5u h VAL 2295CO 0.11 0.73 0.01 1.23 0.02 0.00 0.00 177.57 179.67 1a5u h GLY 2296N 0.67 0.19 0.94 2.17 0.00 -1.15 1.17 103.07 107.06 1a5u h GLY 2296Ca -0.13 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1a5u h GLY 2296CO 0.20 -0.02 -0.15 0.50 0.00 0.00 0.00 176.54 177.07 1a5u h LYS 2297N 0.08 -0.40 -0.65 4.80 1.57 -1.47 1.06 116.57 121.56 1a5u h LYS 2297Ca 0.09 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1a5u h LYS 2297Cb 0.10 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1a5u h LYS 2297CO -0.14 -0.22 0.37 0.00 -0.57 0.00 0.00 179.45 178.89 1a5u h ALA 2298N 0.19 0.85 0.00 3.86 0.00 -0.86 -1.44 119.26 121.87 1a5u h ALA 2298Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 2298Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1a5u h ALA 2298CO 0.07 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.93 1a5u n ARG 2299N -4.76 0.79 -1.41 0.00 1.74 0.40 -4.86 116.66 108.56 1a5u n ARG 2299Ca 0.07 0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 1a5u n ARG 2299Cb 0.14 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1a5u n ARG 2299CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5u n GLY 2300N 0.75 0.78 0.14 -0.13 0.00 -0.54 -4.92 105.19 101.27 1a5u n GLY 2300Ca 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1a5u n GLY 2300CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 2301N 0.00 0.00 -2.29 1.61 -1.00 0.94 -3.45 116.94 112.74 1a5u h PHE 2301Ca -0.16 0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.80 1a5u h PHE 2301Cb 0.63 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.10 1a5u h PHE 2301CO 0.21 0.60 0.50 -0.59 -1.61 0.00 0.00 178.31 177.42 1a5u s PHE 2302N -3.32 -0.15 0.35 -0.55 -0.12 -1.17 -4.88 117.98 108.14 1a5u s PHE 2302Ca 0.00 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.79 1a5u s PHE 2302Cb 0.11 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 43.07 1a5u s PHE 2302CO 0.75 -0.77 0.07 0.15 -0.05 0.00 0.00 175.22 175.36 1a5u s LYS 2303N -3.23 1.73 0.24 1.99 1.02 -1.26 -3.92 119.74 116.31 1a5u s LYS 2303Ca 0.12 -1.99 -0.31 0.00 0.02 0.00 0.00 55.97 53.81 1a5u s LYS 2303Cb -0.01 -0.86 -0.13 0.00 -0.52 0.00 0.00 37.83 36.31 1a5u s LYS 2303CO 0.01 -0.24 1.54 1.17 -0.92 0.00 0.00 175.35 176.91 1a5u n LYS 2304N -0.76 2.38 0.00 1.68 4.81 -1.25 -1.41 118.16 123.61 1a5u n LYS 2304Ca -0.04 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1a5u n LYS 2304Cb 0.66 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1a5u n LYS 2304CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 2305N 2.62 2.45 3.63 3.14 0.00 -0.88 -4.92 105.19 111.24 1a5u n GLY 2305Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1a5u n GLY 2305CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a5u n ASP 2306N 0.00 0.12 -4.61 1.61 9.92 -0.50 -4.51 116.55 118.57 1a5u n ASP 2306Ca 0.00 0.45 -0.34 0.00 -0.53 0.00 0.00 54.79 54.37 1a5u n ASP 2306Cb 0.00 -1.44 -0.11 0.00 -0.64 0.00 0.00 41.12 38.93 1a5u n ASP 2306CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1a5u s VAL 2307N -2.46 3.86 0.03 2.53 1.01 -1.26 -0.34 120.40 123.77 1a5u s VAL 2307Ca 0.67 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1a5u s VAL 2307Cb -0.25 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1a5u s VAL 2307CO 0.58 0.57 -0.06 0.54 0.00 0.00 0.00 175.10 176.72 1a5u s VAL 2308N -0.86 0.42 -0.23 2.92 0.11 0.37 -0.33 120.40 122.80 1a5u s VAL 2308Ca 0.13 -0.94 -0.15 0.00 -2.93 0.00 0.00 61.98 58.10 1a5u s VAL 2308Cb -0.11 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1a5u s VAL 2308CO 0.03 -0.35 0.35 -0.63 -3.33 0.00 0.00 175.10 171.17 1a5u s ILE 2309N -1.25 5.22 -0.27 7.04 -1.09 -0.60 0.35 121.20 130.60 1a5u s ILE 2309Ca -0.10 0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 58.85 1a5u s ILE 2309Cb -0.09 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1a5u s ILE 2309CO 0.00 0.24 0.02 -0.69 -1.23 0.00 0.00 174.94 173.28 1a5u s VAL 2310N 1.51 3.58 -0.30 2.92 1.01 0.30 0.38 120.40 129.80 1a5u s VAL 2310Ca 0.16 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1a5u s VAL 2310Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1a5u s VAL 2310CO 0.08 0.18 0.10 -0.76 0.00 0.00 0.00 175.10 174.71 1a5u s LEU 2311N 1.45 3.93 0.18 3.92 1.43 0.78 -1.31 118.68 129.07 1a5u s LEU 2311Ca 0.03 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1a5u s LEU 2311Cb -0.16 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1a5u s LEU 2311CO -0.00 -0.19 0.02 0.42 0.23 0.00 0.00 176.35 176.82 1a5u s THR 2312N 1.54 0.60 0.24 5.49 -4.23 -0.26 -0.49 115.64 118.52 1a5u s THR 2312Ca 0.03 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.40 1a5u s THR 2312Cb -0.17 -2.18 -0.08 0.00 1.34 0.00 0.00 72.50 71.40 1a5u s THR 2312CO 0.04 -0.41 0.69 -0.83 -0.54 0.00 0.00 174.62 173.57 1a5u s GLY 2313N -3.18 2.49 0.15 3.99 0.00 -1.26 -1.37 107.32 108.13 1a5u s GLY 2313Ca 0.26 0.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.91 1a5u s GLY 2313CO 0.05 0.34 1.60 -0.25 0.00 0.00 0.00 173.10 174.84 1a5u h TRP 2314N 3.05 0.92 -3.88 1.90 -0.00 -1.91 -3.45 115.95 112.59 1a5u h TRP 2314Ca -0.48 -0.16 -0.22 0.00 -0.00 0.00 0.00 58.89 58.04 1a5u h TRP 2314Cb 1.19 -0.24 -0.16 0.00 -0.00 0.00 0.00 29.16 29.95 1a5u h TRP 2314CO 0.63 0.87 -0.70 1.03 -0.00 0.00 0.00 178.44 180.28 1a5u s ARG 2315N -5.03 0.77 0.38 2.65 0.52 -1.26 -5.01 118.95 111.98 1a5u s ARG 2315Ca -0.12 -1.25 -0.26 0.00 -0.52 0.00 0.00 55.73 53.57 1a5u s ARG 2315Cb 0.11 -0.17 -0.11 0.00 0.52 0.00 0.00 34.95 35.30 1a5u s ARG 2315CO 0.82 -0.02 1.19 -2.30 0.02 0.00 0.00 175.30 175.00 1a5u n PRO 2316N 0.15 1.79 -3.67 3.54 -0.02 -1.26 -1.31 135.00 134.22 1a5u n PRO 2316Ca -0.14 0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 61.74 1a5u n PRO 2316Cb 0.60 -2.22 0.06 0.00 -0.02 0.00 0.00 33.50 31.91 1a5u n PRO 2316CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5u n GLY 2317N 0.93 -0.43 0.10 -1.23 0.00 -1.26 -4.87 105.19 98.43 1a5u n GLY 2317Ca 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1a5u n GLY 2317CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5u h SER 2318N -2.18 0.00 0.00 1.61 0.02 -1.60 -3.48 113.55 107.92 1a5u h SER 2318Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1a5u h SER 2318Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1a5u h SER 2318CO 0.58 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.63 1a5u n GLY 2319N 1.21 2.45 3.82 -3.77 0.00 -1.26 -4.99 105.19 102.64 1a5u n GLY 2319Ca 0.01 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.63 1a5u n GLY 2319CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a5u s PHE 2320N -1.72 -0.04 -0.75 1.61 -0.71 -1.26 -4.99 117.98 110.13 1a5u s PHE 2320Ca 0.00 -0.43 -0.26 0.00 -1.04 0.00 0.00 56.93 55.20 1a5u s PHE 2320Cb 0.00 0.73 0.04 0.00 -1.21 0.00 0.00 43.02 42.58 1a5u s PHE 2320CO 0.00 -1.17 1.23 0.95 -1.34 0.00 0.00 175.22 174.89 1a5u s THR 2321N -2.97 3.87 -2.62 -4.49 -4.23 -1.26 -4.51 115.64 99.43 1a5u s THR 2321Ca 0.15 0.14 0.21 0.00 -1.18 0.00 0.00 61.69 61.01 1a5u s THR 2321Cb -0.04 -4.88 0.16 0.00 1.34 0.00 0.00 72.50 69.08 1a5u s THR 2321CO 0.07 -1.78 1.17 -0.46 -0.54 0.00 0.00 174.62 173.07 1a5u n ASN 2322N 8.97 2.73 -4.28 3.99 6.94 -1.17 -4.84 115.26 127.59 1a5u n ASN 2322Ca 0.04 -1.86 -0.35 0.00 -0.02 0.00 0.00 54.58 52.39 1a5u n ASN 2322Cb 0.48 0.03 -0.14 0.00 -2.36 0.00 0.00 39.78 37.79 1a5u n ASN 2322CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a5u s THR 2323N -1.81 3.12 -0.10 5.53 2.01 -0.47 -4.93 115.64 118.99 1a5u s THR 2323Ca 0.24 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1a5u s THR 2323Cb 0.18 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1a5u s THR 2323CO 0.28 0.45 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.23 1a5u s MET 2324N 1.39 1.79 0.07 4.92 1.75 -1.26 -1.11 119.30 126.85 1a5u s MET 2324Ca 0.05 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.13 1a5u s MET 2324Cb -0.14 -1.63 -0.03 0.00 2.84 0.00 0.00 34.83 35.87 1a5u s MET 2324CO -0.05 -0.12 -0.10 1.03 -0.65 0.00 0.00 175.02 175.13 1a5u s ARG 2325N 1.19 0.73 -0.31 4.11 0.52 -0.43 -4.96 118.95 119.80 1a5u s ARG 2325Ca -0.04 -0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 54.06 1a5u s ARG 2325Cb -0.14 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 1a5u s ARG 2325CO -0.03 0.09 0.23 0.08 0.02 0.00 0.00 175.30 175.69 1a5u s VAL 2326N -1.86 5.28 -0.04 3.52 1.01 -1.26 0.11 120.40 127.16 1a5u s VAL 2326Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1a5u s VAL 2326Cb -0.07 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1a5u s VAL 2326CO 0.00 0.09 -0.19 -0.69 0.00 0.00 0.00 175.10 174.32 1a5u s VAL 2327N 1.77 1.53 0.44 2.92 1.01 0.16 -4.93 120.40 123.30 1a5u s VAL 2327Ca 0.07 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 1a5u s VAL 2327Cb -0.17 -1.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1a5u s VAL 2327CO 0.11 0.44 0.99 -2.16 0.00 0.00 0.00 175.10 174.48 1a5u s PRO 2328N -0.07 4.07 0.42 2.72 0.04 -1.26 0.14 135.00 141.06 1a5u s PRO 2328Ca -0.02 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.06 1a5u s PRO 2328Cb -0.11 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1a5u s PRO 2328CO 0.02 -0.18 1.07 0.08 0.04 0.00 0.00 177.00 178.02 1a5u s VAL 2329N -2.02 3.63 -2.84 -0.36 1.01 0.53 -4.88 120.40 115.48 1a5u s VAL 2329Ca 0.63 1.21 0.25 0.00 0.00 0.00 0.00 61.98 64.07 1a5u s VAL 2329Cb -0.14 -3.60 0.30 0.00 0.00 0.00 0.00 36.38 32.95 1a5u s VAL 2329CO 0.18 -0.04 1.41 -2.65 0.00 0.00 0.00 175.10 174.00