#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e9o n ALA 1834N 0.00 0.00 0.00 4.61 0.00 -1.26 -4.56 120.51 119.30 3e9o n ALA 1834Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3e9o n ALA 1834Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3e9o n ALA 1834CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3e9o n ASN 1836N 0.00 0.00 0.34 0.00 0.23 -1.26 -4.90 115.26 109.67 3e9o n ASN 1836Ca 0.00 0.00 0.23 0.00 -0.53 0.00 0.00 54.58 54.28 3e9o n ASN 1836Cb 0.00 0.00 1.19 0.00 -2.08 0.00 0.00 39.78 38.89 3e9o n ASN 1836CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3e9o h SER 1837N 0.00 0.00 0.58 0.53 4.64 -2.00 -2.26 113.55 115.05 3e9o h SER 1837Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3e9o h SER 1837Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3e9o h SER 1837CO 0.00 0.00 -1.23 0.28 -0.87 0.00 0.00 176.83 175.01 3e9o h SER 1838N 0.00 0.46 -0.24 4.97 0.02 -2.05 -3.34 113.55 113.38 3e9o h SER 1838Ca -0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3e9o h SER 1838Cb 0.03 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3e9o h SER 1838CO 0.00 1.37 0.00 -0.46 -1.14 0.00 0.00 176.83 176.60 3e9o n ASN 1839N -3.57 3.39 -0.37 3.07 0.23 -1.05 -4.70 115.26 112.26 3e9o n ASN 1839Ca -0.09 -2.73 0.02 0.00 -0.53 0.00 0.00 54.58 51.25 3e9o n ASN 1839Cb 1.01 -0.43 0.16 0.00 -2.08 0.00 0.00 39.78 38.45 3e9o n ASN 1839CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3e9o h TYR 1840N 1.56 1.22 -0.90 -2.53 5.03 -1.54 -2.93 116.97 116.89 3e9o h TYR 1840Ca 0.00 0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.55 3e9o h TYR 1840Cb 1.17 -0.40 -0.06 0.00 1.55 0.00 0.00 36.73 38.99 3e9o h TYR 1840CO 0.35 0.66 0.60 0.00 -1.32 0.00 0.00 178.16 178.46 3e9o h ALA 1841N 1.44 2.31 0.00 1.82 0.00 -1.86 -1.26 119.26 121.71 3e9o h ALA 1841Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3e9o h ALA 1841Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3e9o h ALA 1841CO -0.15 -0.60 0.08 0.93 0.00 0.00 0.00 179.25 179.51 3e9o h GLU 1842N 0.33 0.00 -0.09 0.00 5.08 -1.90 -1.06 114.58 116.94 3e9o h GLU 1842Ca 0.46 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.85 3e9o h GLU 1842Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3e9o h GLU 1842CO -0.15 0.00 0.16 -0.07 -1.00 0.00 0.00 179.01 177.94 3e9o h LEU 1843N 0.00 0.00 -3.12 1.33 3.38 -1.44 -2.99 115.31 112.46 3e9o h LEU 1843Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3e9o h LEU 1843Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3e9o h LEU 1843CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3e9o n PHE 1844N -3.48 0.89 -1.67 1.13 3.01 -0.40 -4.48 117.46 112.47 3e9o n PHE 1844Ca -0.01 -0.70 0.00 0.00 1.01 0.00 0.00 57.45 57.76 3e9o n PHE 1844Cb 0.25 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3e9o n PHE 1844CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 3e9o n ASN 1845N 0.13 0.00 -0.14 4.37 0.23 -1.13 -5.01 115.26 113.72 3e9o n ASN 1845Ca 0.19 -0.88 0.13 0.00 -0.53 0.00 0.00 54.58 53.48 3e9o n ASN 1845Cb 0.74 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.83 3e9o n ASN 1845CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3e9o n ASN 1846N -2.65 0.72 -4.69 0.53 3.02 -1.26 -4.86 115.26 106.07 3e9o n ASN 1846Ca 0.00 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 3e9o n ASN 1846Cb 0.00 0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 3e9o n ASN 1846CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3e9o s ASP 1847N -2.67 6.74 0.09 6.41 1.01 -1.26 -4.95 116.67 122.04 3e9o s ASP 1847Ca 0.21 2.28 -0.31 0.00 0.71 0.00 0.00 52.55 55.43 3e9o s ASP 1847Cb 0.19 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.48 3e9o s ASP 1847CO 0.57 -0.79 1.43 -0.63 0.21 0.00 0.00 175.17 175.95 3e9o s ILE 1848N 2.48 3.32 0.05 0.77 1.01 -1.26 -4.92 121.20 122.65 3e9o s ILE 1848Ca 0.68 0.89 0.02 0.00 0.00 0.00 0.00 60.65 62.24 3e9o s ILE 1848Cb -0.35 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 3e9o s ILE 1848CO 0.29 0.05 -0.07 -0.54 0.00 0.00 0.00 174.94 174.67 3e9o s LYS 1849N 1.54 0.54 -0.07 2.79 1.02 -1.26 -0.19 119.74 124.11 3e9o s LYS 1849Ca 0.66 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.84 3e9o s LYS 1849Cb -0.36 -0.19 0.01 0.00 -0.52 0.00 0.00 37.83 36.76 3e9o s LYS 1849CO 0.30 0.02 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.10 3e9o s LEU 1850N -1.81 1.70 0.18 3.17 1.43 -0.80 -4.33 118.68 118.23 3e9o s LEU 1850Ca -0.07 -0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 3e9o s LEU 1850Cb -0.07 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 3e9o s LEU 1850CO -0.01 0.05 0.83 -0.36 0.23 0.00 0.00 176.35 177.09 3e9o s PHE 1851N 0.62 3.93 -0.12 0.29 0.40 0.72 -0.11 117.98 123.72 3e9o s PHE 1851Ca -0.15 1.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.90 3e9o s PHE 1851Cb -0.16 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.55 3e9o s PHE 1851CO 0.04 0.49 -0.11 0.08 0.70 0.00 0.00 175.22 176.42 3e9o s VAL 1852N -1.10 1.28 -0.11 -0.44 1.01 -0.19 -0.52 120.40 120.34 3e9o s VAL 1852Ca 0.38 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3e9o s VAL 1852Cb -0.24 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3e9o s VAL 1852CO 0.28 0.41 -0.23 -0.62 0.00 0.00 0.00 175.10 174.93 3e9o s ASP 1853N 1.45 3.13 -0.00 3.32 -1.08 0.02 -1.78 116.67 121.74 3e9o s ASP 1853Ca 0.02 -0.56 0.15 0.00 -0.52 0.00 0.00 52.55 51.64 3e9o s ASP 1853Cb -0.13 -1.43 0.42 0.00 -1.46 0.00 0.00 42.92 40.33 3e9o s ASP 1853CO -0.07 0.15 1.35 -0.90 0.52 0.00 0.00 175.17 176.22 3e9o n ASP 1854N 3.62 3.29 0.22 -0.34 5.75 -1.26 -2.17 116.55 125.66 3e9o n ASP 1854Ca -0.19 -2.01 0.05 0.00 -0.01 0.00 0.00 54.79 52.63 3e9o n ASP 1854Cb 0.53 -0.32 0.50 0.00 -1.03 0.00 0.00 41.12 40.80 3e9o n ASP 1854CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3e9o h THR 1855N 2.78 1.12 -0.49 2.12 1.35 -1.95 -2.79 112.91 115.05 3e9o h THR 1855Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3e9o h THR 1855Cb 0.83 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3e9o h THR 1855CO 0.00 0.18 0.00 0.59 -0.25 0.00 0.00 175.52 176.04 3e9o n ASN 1856N -4.31 4.43 0.16 5.36 3.02 -1.26 -4.65 115.26 118.00 3e9o n ASN 1856Ca -0.02 -2.61 -0.10 0.00 -0.03 0.00 0.00 54.58 51.82 3e9o n ASN 1856Cb 0.25 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 3e9o n ASN 1856CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3e9o h VAL 1857N 3.18 0.35 -3.58 2.41 2.07 -1.28 0.35 116.25 119.75 3e9o h VAL 1857Ca 0.00 -0.73 -0.71 0.00 0.82 0.00 0.00 66.70 66.08 3e9o h VAL 1857Cb 1.43 0.56 -0.24 0.00 -1.52 0.00 0.00 31.29 31.53 3e9o h VAL 1857CO 0.24 0.08 -0.50 -0.47 0.02 0.00 0.00 177.57 176.94 3e9o s TYR 1858N -3.66 3.24 0.01 1.57 6.04 -1.26 -3.95 117.35 119.34 3e9o s TYR 1858Ca -0.11 -0.85 0.06 0.00 0.04 0.00 0.00 57.07 56.21 3e9o s TYR 1858Cb 0.01 -2.46 -0.02 0.00 -1.04 0.00 0.00 41.96 38.45 3e9o s TYR 1858CO 0.37 -0.62 -0.18 1.03 -1.54 0.00 0.00 175.55 174.61 3e9o s ARG 1859N 1.58 1.32 0.09 4.97 0.52 -1.26 -5.08 118.95 121.10 3e9o s ARG 1859Ca 0.03 -0.75 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 3e9o s ARG 1859Cb -0.19 -1.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 3e9o s ARG 1859CO 0.07 0.35 -0.10 0.14 0.02 0.00 0.00 175.30 175.79 3e9o s VAL 1860N -0.61 0.90 0.01 3.52 -7.23 -1.26 -1.10 120.40 114.63 3e9o s VAL 1860Ca 0.06 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 58.68 3e9o s VAL 1860Cb -0.08 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 3e9o s VAL 1860CO 0.00 -0.57 -0.25 0.42 -0.31 0.00 0.00 175.10 174.39 3e9o s THR 1861N -2.47 1.99 -0.12 5.32 -4.23 0.82 -4.91 115.64 112.05 3e9o s THR 1861Ca 0.05 -1.20 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3e9o s THR 1861Cb -0.03 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3e9o s THR 1861CO -0.00 0.44 -0.05 0.68 -0.54 0.00 0.00 174.62 175.15 3e9o s VAL 1862N -0.69 3.86 -0.04 2.29 -7.23 -1.26 -0.35 120.40 116.98 3e9o s VAL 1862Ca 0.10 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 3e9o s VAL 1862Cb -0.10 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.21 3e9o s VAL 1862CO 0.01 0.54 0.10 -1.38 -0.31 0.00 0.00 175.10 174.05 3e9o s HIS 1863N -0.11 -0.10 0.05 2.82 -3.43 -0.83 -5.02 115.29 108.66 3e9o s HIS 1863Ca 0.02 0.27 -0.29 0.00 -0.80 0.00 0.00 55.06 54.26 3e9o s HIS 1863Cb -0.13 0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.99 3e9o s HIS 1863CO 0.03 -0.06 0.95 0.15 -2.00 0.00 0.00 174.74 173.80 3e9o s LYS 1864N 0.22 4.61 0.78 -0.38 1.02 -1.26 -1.03 119.74 123.70 3e9o s LYS 1864Ca -0.01 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.26 3e9o s LYS 1864Cb -0.02 -3.42 0.07 0.00 -0.52 0.00 0.00 37.83 33.93 3e9o s LYS 1864CO -0.01 0.08 1.14 0.95 -0.92 0.00 0.00 175.35 176.59 3e9o s THR 1865N 0.52 2.28 0.26 2.17 -4.23 0.45 -4.96 115.64 112.13 3e9o s THR 1865Ca 0.49 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.99 3e9o s THR 1865Cb -0.22 -3.07 0.26 0.00 1.34 0.00 0.00 72.50 70.81 3e9o s THR 1865CO 0.28 -0.10 1.88 0.15 -0.54 0.00 0.00 174.62 176.29 3e9o h PHE 1866N -0.92 1.17 0.00 3.99 3.57 -1.98 -1.85 116.94 120.92 3e9o h PHE 1866Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3e9o h PHE 1866Cb 1.32 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3e9o h PHE 1866CO 0.34 0.61 0.00 0.93 -2.23 0.00 0.00 178.31 177.96 3e9o h GLU 1867N 1.15 0.00 0.00 1.11 3.07 -2.04 -3.45 114.58 114.42 3e9o h GLU 1867Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3e9o h GLU 1867Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3e9o h GLU 1867CO -0.17 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.85 3e9o n GLY 1868N -0.80 0.30 3.74 -3.84 0.00 -0.69 -5.07 105.19 98.83 3e9o n GLY 1868Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3e9o n GLY 1868CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3e9o s ASN 1869N -2.43 6.93 -0.32 1.61 0.01 -1.26 -4.75 114.94 114.72 3e9o s ASN 1869Ca 0.00 2.42 -0.18 0.00 -0.71 0.00 0.00 52.86 54.38 3e9o s ASN 1869Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 3e9o s ASN 1869CO 0.00 -0.48 0.53 -0.69 -1.51 0.00 0.00 177.10 174.94 3e9o s VAL 1870N -0.19 5.02 -0.21 1.60 1.01 -1.26 -0.41 120.40 125.95 3e9o s VAL 1870Ca 0.54 0.54 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 3e9o s VAL 1870Cb -0.36 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3e9o s VAL 1870CO 0.40 -0.13 0.35 0.00 0.00 0.00 0.00 175.10 175.72 3e9o s ALA 1871N 2.41 3.57 -0.36 5.51 0.00 -0.20 -4.97 121.76 127.73 3e9o s ALA 1871Ca 0.20 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 3e9o s ALA 1871Cb -0.15 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 3e9o s ALA 1871CO 0.12 -0.31 0.27 0.99 0.00 0.00 0.00 175.76 176.83 3e9o s THR 1872N 1.32 5.27 -0.18 0.00 2.01 -1.26 -1.96 115.64 120.84 3e9o s THR 1872Ca 0.16 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3e9o s THR 1872Cb -0.15 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 3e9o s THR 1872CO 0.07 -0.09 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.05 3e9o s LYS 1873N 1.74 3.25 0.26 4.92 2.20 0.52 -4.95 119.74 127.69 3e9o s LYS 1873Ca 0.06 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 3e9o s LYS 1873Cb -0.18 -2.76 -0.10 0.00 -1.51 0.00 0.00 37.83 33.28 3e9o s LYS 1873CO 0.11 -0.09 1.38 0.00 -0.36 0.00 0.00 175.35 176.38 3e9o s ALA 1874N 1.12 3.57 0.30 3.13 0.00 -1.26 -0.12 121.76 128.50 3e9o s ALA 1874Ca 0.01 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.35 3e9o s ALA 1874Cb -0.14 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3e9o s ALA 1874CO -0.04 -0.68 -0.16 0.96 0.00 0.00 0.00 175.76 175.84 3e9o s ILE 1875N -0.30 2.37 0.31 0.00 -4.36 -0.26 -4.89 121.20 114.08 3e9o s ILE 1875Ca 0.56 -2.34 -0.29 0.00 -0.26 0.00 0.00 60.65 58.32 3e9o s ILE 1875Cb -0.40 -2.40 -0.12 0.00 1.25 0.00 0.00 42.46 40.78 3e9o s ILE 1875CO 0.45 -0.34 1.50 0.59 0.24 0.00 0.00 174.94 177.38 3e9o n ASN 1876N -0.67 3.54 -1.85 4.36 3.02 -1.26 -4.25 115.26 118.15 3e9o n ASN 1876Ca -0.05 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 3e9o n ASN 1876Cb 0.61 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3e9o n ASN 1876CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e9o n GLY 1877N 1.52 4.36 3.44 7.41 0.00 -0.03 -4.87 105.19 117.01 3e9o n GLY 1877Ca 0.06 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 3e9o n GLY 1877CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e9o s ILE 1879N -2.17 5.31 -0.56 0.00 1.01 -0.13 -2.71 121.20 121.95 3e9o s ILE 1879Ca -0.07 0.36 -0.19 0.00 0.00 0.00 0.00 60.65 60.75 3e9o s ILE 1879Cb -0.01 -3.58 0.09 0.00 0.01 0.00 0.00 42.46 38.98 3e9o s ILE 1879CO 0.01 0.32 0.66 0.12 0.00 0.00 0.00 174.94 176.05 3e9o s PHE 1880N 1.12 3.03 -0.28 3.97 5.36 -0.92 -2.95 117.98 127.30 3e9o s PHE 1880Ca 0.11 -0.84 -0.00 0.00 -0.96 0.00 0.00 56.93 55.24 3e9o s PHE 1880Cb -0.14 -3.83 0.05 0.00 -0.34 0.00 0.00 43.02 38.76 3e9o s PHE 1880CO 0.05 -1.19 -0.04 0.99 -1.46 0.00 0.00 175.22 173.57 3e9o s THR 1881N 2.61 2.74 -0.06 0.12 2.01 -1.21 -0.80 115.64 121.06 3e9o s THR 1881Ca 0.12 -1.42 0.04 0.00 0.31 0.00 0.00 61.69 60.74 3e9o s THR 1881Cb -0.23 -2.56 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 3e9o s THR 1881CO 0.08 -0.05 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.55 3e9o s LEU 1882N 1.22 1.93 -0.45 4.42 2.96 0.32 -0.75 118.68 128.33 3e9o s LEU 1882Ca -0.06 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.25 3e9o s LEU 1882Cb -0.19 -1.09 0.03 0.00 0.50 0.00 0.00 46.19 45.44 3e9o s LEU 1882CO -0.03 0.16 0.58 0.21 -1.32 0.00 0.00 176.35 175.95 3e9o s ASN 1883N 0.13 6.26 0.13 3.68 3.84 -0.12 -0.20 114.94 128.65 3e9o s ASN 1883Ca -0.07 -0.61 0.24 0.00 0.21 0.00 0.00 52.86 52.62 3e9o s ASN 1883Cb -0.13 -2.28 0.91 0.00 -0.55 0.00 0.00 41.25 39.20 3e9o s ASN 1883CO 0.04 -0.75 1.73 -0.81 -2.79 0.00 0.00 177.10 174.51 3e9o n PRO 1884N 6.04 0.13 0.00 0.43 -0.04 -1.26 -0.34 135.00 139.96 3e9o n PRO 1884Ca -0.05 0.23 -0.18 0.00 -0.04 0.00 0.00 63.50 63.46 3e9o n PRO 1884Cb 0.47 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 3e9o n PRO 1884CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3e9o h LYS 1885N 0.00 0.19 0.00 0.54 1.63 -1.89 -3.39 116.57 113.66 3e9o h LYS 1885Ca 0.00 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.43 3e9o h LYS 1885Cb 0.47 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 3e9o h LYS 1885CO 0.00 1.16 -1.36 0.25 -3.45 0.00 0.00 179.45 176.05 3e9o n THR 1886N -4.28 0.59 -0.70 1.00 -2.24 -1.19 -4.71 114.28 102.76 3e9o n THR 1886Ca -0.14 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3e9o n THR 1886Cb 0.71 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3e9o n THR 1886CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e9o n GLY 1887N 1.25 1.21 3.68 3.38 0.00 0.54 -4.89 105.19 110.36 3e9o n GLY 1887Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3e9o n GLY 1887CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3e9o s HIS 1888N -3.55 2.17 -0.27 1.61 3.76 -1.21 -0.81 115.29 116.98 3e9o s HIS 1888Ca 0.00 0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3e9o s HIS 1888Cb 0.00 -3.97 0.04 0.00 1.11 0.00 0.00 32.58 29.77 3e9o s HIS 1888CO 0.00 -3.99 -0.04 -1.17 -0.85 0.00 0.00 174.74 168.70 3e9o s LEU 1889N 3.28 3.56 -0.75 0.89 2.96 0.14 -0.95 118.68 127.82 3e9o s LEU 1889Ca 0.75 -1.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.34 3e9o s LEU 1889Cb -0.38 -1.67 0.12 0.00 0.50 0.00 0.00 46.19 44.76 3e9o s LEU 1889CO 0.32 -0.20 0.91 -0.36 -1.32 0.00 0.00 176.35 175.70 3e9o s PHE 1890N 1.26 3.05 -0.81 5.38 0.08 0.07 -1.00 117.98 126.02 3e9o s PHE 1890Ca -0.04 -1.13 -0.18 0.00 0.12 0.00 0.00 56.93 55.70 3e9o s PHE 1890Cb -0.19 -4.14 0.14 0.00 -0.57 0.00 0.00 43.02 38.27 3e9o s PHE 1890CO -0.03 -1.40 0.93 -1.17 -0.10 0.00 0.00 175.22 173.44 3e9o s LEU 1891N 2.70 5.55 -0.16 -0.37 2.96 0.08 -3.30 118.68 126.14 3e9o s LEU 1891Ca 0.22 -2.02 -0.29 0.00 -0.22 0.00 0.00 54.13 51.82 3e9o s LEU 1891Cb -0.15 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 3e9o s LEU 1891CO 0.00 -0.97 1.31 -0.75 -1.32 0.00 0.00 176.35 174.63 3e9o s LYS 1892N 2.09 4.20 -0.18 1.98 2.47 -1.15 -1.48 119.74 127.67 3e9o s LYS 1892Ca 0.23 1.69 -0.21 0.00 -1.56 0.00 0.00 55.97 56.12 3e9o s LYS 1892Cb -0.11 -3.80 -0.03 0.00 -1.46 0.00 0.00 37.83 32.43 3e9o s LYS 1892CO -0.05 -0.76 0.64 0.42 0.16 0.00 0.00 175.35 175.77 3e9o s ILE 1893N 3.64 5.02 -0.62 5.43 1.01 0.19 -0.96 121.20 134.91 3e9o s ILE 1893Ca 0.57 1.23 -0.18 0.00 0.00 0.00 0.00 60.65 62.28 3e9o s ILE 1893Cb -0.23 -3.96 0.12 0.00 0.01 0.00 0.00 42.46 38.41 3e9o s ILE 1893CO 0.17 0.13 0.67 -0.63 0.00 0.00 0.00 174.94 175.28 3e9o s ILE 1894N 1.75 5.01 0.40 2.92 -1.09 0.37 -3.21 121.20 127.35 3e9o s ILE 1894Ca 0.30 -1.32 -0.25 0.00 -2.23 0.00 0.00 60.65 57.16 3e9o s ILE 1894Cb -0.16 -4.46 -0.09 0.00 -1.58 0.00 0.00 42.46 36.18 3e9o s ILE 1894CO 0.11 -1.06 1.12 -2.28 -1.23 0.00 0.00 174.94 171.60 3e9o s HIS 1895N 2.12 3.15 0.62 3.97 5.65 -1.26 -0.85 115.29 128.68 3e9o s HIS 1895Ca 0.11 1.60 0.30 0.00 0.25 0.00 0.00 55.06 57.31 3e9o s HIS 1895Cb -0.24 -3.28 1.60 0.00 -1.18 0.00 0.00 32.58 29.48 3e9o s HIS 1895CO 0.03 -1.02 1.96 1.79 -0.65 0.00 0.00 174.74 176.85 3e9o h THR 1896N 2.25 0.24 0.00 0.89 1.35 -1.93 -1.80 112.91 113.91 3e9o h THR 1896Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3e9o h THR 1896Cb 1.23 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3e9o h THR 1896CO 0.62 0.00 -0.00 0.77 -0.25 0.00 0.00 175.52 176.66 3e9o h SER 1897N 0.00 0.00 0.31 5.36 4.64 -1.97 -2.57 113.55 119.32 3e9o h SER 1897Ca 0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3e9o h SER 1897Cb 0.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3e9o h SER 1897CO -0.00 0.00 -0.11 -0.37 -0.87 0.00 0.00 176.83 175.49 3e9o h VAL 1898N 0.00 0.58 -0.00 0.95 -1.51 -1.70 -2.01 116.25 112.56 3e9o h VAL 1898Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3e9o h VAL 1898Cb 0.33 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 3e9o h VAL 1898CO 0.00 0.10 -0.16 0.79 -1.23 0.00 0.00 177.57 177.07 3e9o n TRP 1899N -3.70 0.00 -1.71 5.19 5.03 -0.97 -4.91 117.44 116.37 3e9o n TRP 1899Ca -0.02 0.00 -0.59 0.00 3.03 0.00 0.00 57.50 59.92 3e9o n TRP 1899Cb 0.22 -0.28 -0.08 0.00 -1.03 0.00 0.00 31.31 30.14 3e9o n TRP 1899CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3e9o n ALA 1900N -1.22 -0.43 -0.97 6.99 0.00 -0.76 -1.46 120.51 122.66 3e9o n ALA 1900Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3e9o n ALA 1900Cb 0.31 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3e9o n ALA 1900CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e9o n GLY 1901N 4.10 0.31 3.83 0.00 0.00 -1.26 -4.99 105.19 107.18 3e9o n GLY 1901Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 3e9o n GLY 1901CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3e9o s GLN 1902N -0.83 3.06 0.28 1.61 -1.52 -0.54 -5.12 119.66 116.61 3e9o s GLN 1902Ca 0.00 -0.69 0.07 0.00 -1.95 0.00 0.00 55.36 52.80 3e9o s GLN 1902Cb 0.00 -2.79 -0.03 0.00 -0.22 0.00 0.00 33.01 29.97 3e9o s GLN 1902CO 0.00 0.54 0.22 0.15 -0.25 0.00 0.00 175.29 175.95 3e9o s LYS 1903N -2.74 2.84 -1.12 2.91 1.02 -1.26 -4.77 119.74 116.62 3e9o s LYS 1903Ca 0.31 -1.14 -0.23 0.00 0.02 0.00 0.00 55.97 54.93 3e9o s LYS 1903Cb -0.12 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 3e9o s LYS 1903CO 0.24 0.31 0.73 0.54 -0.92 0.00 0.00 175.35 176.25 3e9o n ARG 1904N -1.23 -0.86 0.23 1.68 1.74 -1.26 -4.73 116.66 112.23 3e9o n ARG 1904Ca -0.06 0.38 0.06 0.00 -0.77 0.00 0.00 57.85 57.46 3e9o n ARG 1904Cb 0.58 -3.34 0.53 0.00 -1.02 0.00 0.00 32.46 29.21 3e9o n ARG 1904CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3e9o h LEU 1905N -1.92 0.00 -1.28 0.55 3.38 -1.99 -1.94 115.31 112.12 3e9o h LEU 1905Ca -0.66 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3e9o h LEU 1905Cb 1.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 3e9o h LEU 1905CO 0.48 0.17 0.23 0.28 0.09 0.00 0.00 178.44 179.68 3e9o h SER 1906N 0.00 0.65 0.28 -0.43 0.02 -1.98 0.14 113.55 112.22 3e9o h SER 1906Ca -0.00 -0.07 -0.28 0.00 -0.84 0.00 0.00 61.79 60.60 3e9o h SER 1906Cb 0.30 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.70 3e9o h SER 1906CO 0.02 0.57 -1.19 1.56 -1.14 0.00 0.00 176.83 176.65 3e9o h GLN 1907N 0.72 0.51 -0.41 3.45 4.20 -1.72 -3.31 115.11 118.56 3e9o h GLN 1907Ca 0.18 -0.68 -0.12 0.00 0.06 0.00 0.00 58.65 58.09 3e9o h GLN 1907Cb 0.11 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3e9o h GLN 1907CO -0.02 1.29 -0.21 1.25 -0.67 0.00 0.00 178.83 180.47 3e9o h LEU 1908N 0.22 0.82 -1.23 1.46 5.85 -1.25 -3.24 115.31 117.94 3e9o h LEU 1908Ca -0.16 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.37 3e9o h LEU 1908Cb 1.87 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 3e9o h LEU 1908CO 0.22 1.01 0.57 0.00 -0.34 0.00 0.00 178.44 179.89 3e9o h ALA 1909N 1.06 1.67 -0.64 1.25 0.00 -0.82 0.32 119.26 122.10 3e9o h ALA 1909Ca 0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3e9o h ALA 1909Cb 0.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3e9o h ALA 1909CO 0.06 0.15 0.16 0.87 0.00 0.00 0.00 179.25 180.49 3e9o h LYS 1910N 0.85 1.02 -0.01 0.00 1.57 -1.67 -0.85 116.57 117.48 3e9o h LYS 1910Ca 0.41 -0.24 -0.23 0.00 -1.87 0.00 0.00 60.65 58.72 3e9o h LYS 1910Cb 0.43 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3e9o h LYS 1910CO -0.17 0.92 -0.93 -1.49 -0.57 0.00 0.00 179.45 177.20 3e9o h TRP 1911N 0.94 0.63 -0.16 -1.35 4.06 -1.38 -2.14 115.95 116.54 3e9o h TRP 1911Ca 0.20 -0.34 -0.06 0.00 2.06 0.00 0.00 58.89 60.75 3e9o h TRP 1911Cb 0.35 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3e9o h TRP 1911CO 0.03 1.16 -0.19 0.87 -3.56 0.00 0.00 178.44 176.75 3e9o h LYS 1912N 0.24 0.28 -0.09 0.49 1.79 -0.87 0.32 116.57 118.73 3e9o h LYS 1912Ca -0.08 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 3e9o h LYS 1912Cb 1.57 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 3e9o h LYS 1912CO 0.16 0.46 0.01 1.15 -1.08 0.00 0.00 179.45 180.16 3e9o h THR 1913N 0.26 1.23 -0.81 -0.16 2.02 -0.98 -2.01 112.91 112.46 3e9o h THR 1913Ca 0.05 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3e9o h THR 1913Cb 0.49 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3e9o h THR 1913CO 0.03 0.21 0.34 0.00 0.37 0.00 0.00 175.52 176.47 3e9o h ALA 1914N 0.76 1.08 -0.37 6.16 0.00 -1.13 -1.25 119.26 124.51 3e9o h ALA 1914Ca 0.03 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3e9o h ALA 1914Cb 0.31 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3e9o h ALA 1914CO 0.00 0.67 0.17 1.49 0.00 0.00 0.00 179.25 181.58 3e9o h GLU 1915N 1.17 0.34 -0.11 0.00 4.81 -0.85 -0.78 114.58 119.17 3e9o h GLU 1915Ca 0.27 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 3e9o h GLU 1915Cb 0.19 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3e9o h GLU 1915CO -0.03 0.23 -0.70 0.93 -0.73 0.00 0.00 179.01 178.72 3e9o h GLU 1916N 0.35 0.48 -0.50 1.92 4.39 -1.06 -1.19 114.58 118.97 3e9o h GLU 1916Ca 0.16 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 3e9o h GLU 1916Cb 0.09 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3e9o h GLU 1916CO -0.13 1.00 0.21 0.28 -1.16 0.00 0.00 179.01 179.21 3e9o h VAL 1917N 0.34 1.21 -0.42 3.13 2.07 -1.10 -1.39 116.25 120.08 3e9o h VAL 1917Ca -0.02 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3e9o h VAL 1917Cb 1.27 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3e9o h VAL 1917CO 0.12 0.24 0.22 -1.28 0.02 0.00 0.00 177.57 176.90 3e9o h SER 1918N 0.67 0.34 -0.77 0.57 0.87 -1.01 -0.94 113.55 113.28 3e9o h SER 1918Ca 0.17 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3e9o h SER 1918Cb 0.18 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 3e9o h SER 1918CO -0.02 0.25 0.48 0.00 -0.53 0.00 0.00 176.83 177.01 3e9o h ALA 1919N 1.20 1.01 0.25 6.23 0.00 -1.03 -1.22 119.26 125.70 3e9o h ALA 1919Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3e9o h ALA 1919Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3e9o h ALA 1919CO -0.10 0.28 -0.12 1.25 0.00 0.00 0.00 179.25 180.56 3e9o h LEU 1920N 0.94 -0.28 -0.63 0.00 5.85 -0.84 -1.61 115.31 118.74 3e9o h LEU 1920Ca 0.31 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.15 3e9o h LEU 1920Cb 0.02 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.02 3e9o h LEU 1920CO -0.11 -0.18 0.05 0.58 -0.34 0.00 0.00 178.44 178.44 3e9o h VAL 1921N -0.36 0.52 0.00 1.05 2.07 -0.98 -1.55 116.25 117.00 3e9o h VAL 1921Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3e9o h VAL 1921Cb 0.28 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3e9o h VAL 1921CO 0.06 0.03 -0.12 0.03 0.02 0.00 0.00 177.57 177.59 3e9o h ARG 1922N 0.16 0.00 0.00 1.57 3.08 -0.87 -2.49 114.38 115.84 3e9o h ARG 1922Ca 0.33 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 3e9o h ARG 1922Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3e9o h ARG 1922CO -0.50 0.12 -0.64 0.66 -1.07 0.00 0.00 179.97 178.54 3e9o h SER 1923N 0.00 0.00 -3.74 7.04 4.64 -0.30 -3.46 113.55 117.73 3e9o h SER 1923Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3e9o h SER 1923Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3e9o h SER 1923CO 0.02 0.64 0.39 -0.76 -0.87 0.00 0.00 176.83 176.24 3e9o s LEU 1924N -6.60 4.61 0.51 5.97 1.43 -0.94 -5.03 118.68 118.63 3e9o s LEU 1924Ca 0.03 2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 54.92 3e9o s LEU 1924Cb 0.09 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 3e9o s LEU 1924CO 0.76 0.05 1.38 -2.84 0.23 0.00 0.00 176.35 175.93 3e9o s PRO 1925N -1.10 3.37 0.59 1.29 0.02 -1.26 -4.77 135.00 133.14 3e9o s PRO 1925Ca 0.43 2.30 0.30 0.00 0.02 0.00 0.00 61.00 64.05 3e9o s PRO 1925Cb -0.27 -2.42 1.38 0.00 0.02 0.00 0.00 34.50 33.21 3e9o s PRO 1925CO 0.34 -1.03 1.77 0.87 -0.33 0.00 0.00 177.00 178.62 3e9o h LYS 1926N 1.82 0.00 -0.67 5.54 1.57 -1.96 0.32 116.57 123.19 3e9o h LYS 1926Ca -0.51 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 3e9o h LYS 1926Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 3e9o h LYS 1926CO 0.59 0.00 0.29 1.49 -0.57 0.00 0.00 179.45 181.25 3e9o h GLU 1927N 0.00 0.98 -0.05 3.15 4.22 -2.02 -2.96 114.58 117.91 3e9o h GLU 1927Ca 0.32 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.60 3e9o h GLU 1927Cb 1.68 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3e9o h GLU 1927CO -0.00 0.80 0.00 0.39 -2.18 0.00 0.00 179.01 178.02 3e9o n GLU 1928N -4.43 1.91 -2.45 1.92 1.02 0.11 -4.94 120.64 113.79 3e9o n GLU 1928Ca 0.05 -1.33 -0.40 0.00 -0.02 0.00 0.00 57.16 55.46 3e9o n GLU 1928Cb 0.15 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 3e9o n GLU 1928CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3e9o s GLN 1929N -1.96 4.61 0.47 3.49 -0.21 -1.04 -4.94 119.66 120.07 3e9o s GLN 1929Ca 0.34 1.83 -0.22 0.00 0.02 0.00 0.00 55.36 57.34 3e9o s GLN 1929Cb 0.20 -3.19 -0.08 0.00 1.00 0.00 0.00 33.01 30.94 3e9o s GLN 1929CO 0.32 0.15 1.09 -1.25 -2.12 0.00 0.00 175.29 173.48 3e9o s PRO 1930N -1.26 3.77 0.23 2.91 0.04 -1.26 -4.81 135.00 134.62 3e9o s PRO 1930Ca 0.46 1.56 0.17 0.00 0.04 0.00 0.00 61.00 63.23 3e9o s PRO 1930Cb -0.32 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 31.99 3e9o s PRO 1930CO 0.41 -0.49 1.28 0.87 0.04 0.00 0.00 177.00 179.11 3e9o h LYS 1931N 1.83 0.00 -3.57 4.56 1.79 -0.88 -3.44 116.57 116.86 3e9o h LYS 1931Ca -0.49 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.77 3e9o h LYS 1931Cb 1.24 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.62 3e9o h LYS 1931CO 0.60 0.38 -0.63 -0.65 -1.08 0.00 0.00 179.45 178.07 3e9o s GLN 1932N -3.00 0.12 -0.16 3.15 -0.21 -1.19 -1.65 119.66 116.72 3e9o s GLN 1932Ca 0.02 0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.46 3e9o s GLN 1932Cb 0.08 0.06 0.01 0.00 1.00 0.00 0.00 33.01 34.16 3e9o s GLN 1932CO 0.76 -0.02 -0.21 0.42 -2.12 0.00 0.00 175.29 174.12 3e9o s ILE 1933N -0.11 2.07 -0.27 1.08 1.01 0.97 -1.91 121.20 124.04 3e9o s ILE 1933Ca -0.02 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3e9o s ILE 1933Cb -0.01 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.61 3e9o s ILE 1933CO 0.00 0.54 0.04 -0.63 0.00 0.00 0.00 174.94 174.90 3e9o s ILE 1934N 1.06 3.83 0.04 2.92 1.01 0.85 -0.50 121.20 130.42 3e9o s ILE 1934Ca -0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 3e9o s ILE 1934Cb -0.14 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.37 3e9o s ILE 1934CO -0.08 0.20 0.59 0.68 0.00 0.00 0.00 174.94 176.34 3e9o s VAL 1935N 1.50 4.80 -0.38 2.92 -7.23 -0.23 -1.02 120.40 120.77 3e9o s VAL 1935Ca 0.04 1.26 0.21 0.00 -1.81 0.00 0.00 61.98 61.68 3e9o s VAL 1935Cb -0.16 -3.93 0.28 0.00 0.56 0.00 0.00 36.38 33.13 3e9o s VAL 1935CO 0.01 0.49 1.57 0.71 -0.31 0.00 0.00 175.10 177.57 3e9o h THR 1936N 3.82 0.17 -4.06 5.32 1.35 -1.68 -3.21 112.91 114.62 3e9o h THR 1936Ca -0.47 -1.24 -0.69 0.00 -0.55 0.00 0.00 66.41 63.46 3e9o h THR 1936Cb 1.21 2.08 -0.30 0.00 -1.73 0.00 0.00 68.15 69.41 3e9o h THR 1936CO 0.67 0.10 -0.86 -0.13 -0.25 0.00 0.00 175.52 175.04 3e9o s ARG 1937N -3.16 2.54 0.34 4.72 0.52 -1.26 -4.81 118.95 117.83 3e9o s ARG 1937Ca 0.06 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 3e9o s ARG 1937Cb 0.06 -2.21 0.61 0.00 0.52 0.00 0.00 34.95 33.92 3e9o s ARG 1937CO 0.69 0.43 1.89 0.87 0.02 0.00 0.00 175.30 179.19 3e9o h LYS 1938N 5.92 0.56 -2.58 3.54 1.79 -1.91 -3.35 116.57 120.53 3e9o h LYS 1938Ca -0.35 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 3e9o h LYS 1938Cb 1.17 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.73 3e9o h LYS 1938CO 0.48 0.55 0.27 0.00 -1.08 0.00 0.00 179.45 179.68 3e9o n ALA 1939N -2.48 1.56 0.00 3.86 0.00 -1.26 -4.44 120.51 117.75 3e9o n ALA 1939Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3e9o n ALA 1939Cb 0.22 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3e9o n ALA 1939CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3e9o n LEU 1941N 2.59 0.00 0.10 0.00 4.77 -1.26 -4.46 117.00 118.75 3e9o n LEU 1941Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 3e9o n LEU 1941Cb 0.07 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 3e9o n LEU 1941CO 0.15 0.00 0.76 -0.78 -1.33 0.00 0.00 177.39 176.19 3e9o h ASP 1942N 0.00 -0.18 -0.99 -1.43 3.58 -1.97 0.14 116.42 115.58 3e9o h ASP 1942Ca 0.00 -0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.45 3e9o h ASP 1942Cb 0.00 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.02 3e9o h ASP 1942CO 0.00 -0.03 0.63 -0.65 -2.88 0.00 0.00 179.24 176.31 3e9o h PRO 1943N -0.31 1.06 -0.28 0.28 0.11 -1.92 -1.21 132.00 129.74 3e9o h PRO 1943Ca -0.02 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.84 3e9o h PRO 1943Cb 0.25 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3e9o h PRO 1943CO 0.03 0.70 -0.54 1.25 -0.21 0.00 0.00 178.00 179.24 3e9o h LEU 1944N 1.10 0.95 -0.49 2.35 5.85 -1.85 -2.17 115.31 121.05 3e9o h LEU 1944Ca 0.45 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3e9o h LEU 1944Cb 0.27 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3e9o h LEU 1944CO -0.20 1.31 0.24 -0.33 -0.34 0.00 0.00 178.44 179.12 3e9o h GLU 1945N 0.63 0.46 -0.19 1.25 5.08 -0.34 -2.98 114.58 118.49 3e9o h GLU 1945Ca 0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3e9o h GLU 1945Cb 1.15 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3e9o h GLU 1945CO 0.12 0.30 0.05 0.28 -1.00 0.00 0.00 179.01 178.77 3e9o h VAL 1946N 0.47 1.19 0.00 3.13 2.07 -1.21 -2.22 116.25 119.69 3e9o h VAL 1946Ca 0.22 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3e9o h VAL 1946Cb 0.14 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3e9o h VAL 1946CO -0.16 0.19 0.00 1.41 0.02 0.00 0.00 177.57 179.03 3e9o n HIS 1947N -4.80 0.00 0.00 1.57 8.25 -0.82 -4.77 115.22 114.65 3e9o n HIS 1947Ca -0.04 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3e9o n HIS 1947Cb 0.15 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3e9o n HIS 1947CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3e9o n LEU 1949N 0.80 0.00 0.00 2.41 0.00 -0.84 -4.90 117.00 114.48 3e9o n LEU 1949Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.12 3e9o n LEU 1949Cb 0.01 0.00 0.56 0.00 0.00 0.00 0.00 43.42 43.99 3e9o n LEU 1949CO 0.00 0.00 0.85 0.47 0.00 0.00 0.00 177.39 178.71 3e9o n ASP 1950N 0.49 0.00 -4.08 1.96 9.92 -1.26 -4.08 116.55 119.50 3e9o n ASP 1950Ca 0.00 -0.09 -0.37 0.00 -0.53 0.00 0.00 54.79 53.80 3e9o n ASP 1950Cb 0.00 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.17 3e9o n ASP 1950CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3e9o n PHE 1951N -1.26 4.16 0.25 1.24 3.72 -1.26 -4.94 117.46 119.36 3e9o n PHE 1951Ca 0.11 -3.98 0.08 0.00 -0.05 0.00 0.00 57.45 53.61 3e9o n PHE 1951Cb 0.17 -1.18 0.61 0.00 -0.94 0.00 0.00 39.48 38.13 3e9o n PHE 1951CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3e9o h PRO 1952N 5.88 0.00 -0.61 -1.08 0.11 -2.03 -2.57 132.00 131.69 3e9o h PRO 1952Ca 0.17 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.14 3e9o h PRO 1952Cb 0.79 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.81 3e9o h PRO 1952CO 0.92 0.09 0.16 -1.71 -0.21 0.00 0.00 178.00 177.25 3e9o n ASN 1953N -4.32 4.70 -4.31 -2.05 4.05 -1.26 -4.78 115.26 107.29 3e9o n ASN 1953Ca -0.03 -3.19 -0.38 0.00 0.45 0.00 0.00 54.58 51.44 3e9o n ASN 1953Cb 0.17 -0.70 -0.12 0.00 1.23 0.00 0.00 39.78 40.36 3e9o n ASN 1953CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3e9o s ILE 1954N -2.96 3.97 -0.14 -1.44 1.01 -0.97 -4.78 121.20 115.90 3e9o s ILE 1954Ca 0.53 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 3e9o s ILE 1954Cb 0.42 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3e9o s ILE 1954CO 0.12 -0.14 1.21 0.00 0.00 0.00 0.00 174.94 176.14 3e9o s ALA 1955N 1.45 3.61 -0.31 9.38 0.00 -0.66 -4.89 121.76 130.34 3e9o s ALA 1955Ca -0.00 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 3e9o s ALA 1955Cb -0.19 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 3e9o s ALA 1955CO 0.03 -1.02 0.46 0.42 0.00 0.00 0.00 175.76 175.66 3e9o s ILE 1956N 3.05 5.08 -0.04 0.00 -1.09 -1.26 -0.02 121.20 126.91 3e9o s ILE 1956Ca 0.54 0.46 0.06 0.00 -2.23 0.00 0.00 60.65 59.48 3e9o s ILE 1956Cb -0.22 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 3e9o s ILE 1956CO 0.16 -0.06 -0.22 -0.13 -1.23 0.00 0.00 174.94 173.46 3e9o s ARG 1957N 2.26 2.14 0.92 2.79 0.52 0.35 -4.90 118.95 123.03 3e9o s ARG 1957Ca 0.17 -0.80 -0.14 0.00 -0.52 0.00 0.00 55.73 54.45 3e9o s ARG 1957Cb -0.16 -1.89 0.18 0.00 0.52 0.00 0.00 34.95 33.60 3e9o s ARG 1957CO 0.12 0.38 1.27 -1.25 0.02 0.00 0.00 175.30 175.83 3e9o s PRO 1958N -0.22 0.88 0.01 3.54 0.04 -1.26 -1.07 135.00 136.93 3e9o s PRO 1958Ca -0.00 -0.47 0.02 0.00 0.04 0.00 0.00 61.00 60.59 3e9o s PRO 1958Cb -0.12 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3e9o s PRO 1958CO 0.02 -2.22 -0.06 0.99 0.04 0.00 0.00 177.00 175.76 3e9o s THR 1959N -3.76 0.48 -0.85 1.26 2.01 -1.21 -4.42 115.64 109.13 3e9o s THR 1959Ca 0.72 -0.53 0.23 0.00 0.31 0.00 0.00 61.69 62.42 3e9o s THR 1959Cb -0.05 -0.46 -0.12 0.00 0.01 0.00 0.00 72.50 71.89 3e9o s THR 1959CO 0.51 -0.05 1.10 -0.62 -0.69 0.00 0.00 174.62 174.88 3e9o n GLU 1960N 2.42 0.11 -1.78 4.92 -0.58 -1.26 -4.93 120.64 119.54 3e9o n GLU 1960Ca -0.16 -0.01 -0.41 0.00 -0.42 0.00 0.00 57.16 56.16 3e9o n GLU 1960Cb 0.57 -1.53 -0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3e9o n GLU 1960CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3e9o s LEU 1961N -3.33 4.32 -0.26 -4.62 1.43 -1.26 -4.99 118.68 109.97 3e9o s LEU 1961Ca 0.07 3.05 -0.19 0.00 -1.03 0.00 0.00 54.13 56.03 3e9o s LEU 1961Cb 0.16 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 3e9o s LEU 1961CO 0.79 -0.90 0.56 -0.13 0.23 0.00 0.00 176.35 176.90 3e9o s ARG 1962N -1.74 4.09 0.02 1.70 1.81 -1.26 -5.06 118.95 118.50 3e9o s ARG 1962Ca 0.55 0.41 0.05 0.00 -1.72 0.00 0.00 55.73 55.02 3e9o s ARG 1962Cb -0.47 -3.65 -0.02 0.00 -0.45 0.00 0.00 34.95 30.36 3e9o s ARG 1962CO 0.60 -0.37 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.19 3e9o s LEU 1963N 2.37 2.10 -0.29 2.53 1.43 -1.26 -4.84 118.68 120.73 3e9o s LEU 1963Ca 0.23 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3e9o s LEU 1963Cb -0.16 -0.70 0.49 0.00 0.03 0.00 0.00 46.19 45.86 3e9o s LEU 1963CO 0.09 0.11 1.60 -0.81 0.23 0.00 0.00 176.35 177.57 3e9o n PRO 1964N 2.30 2.25 0.25 1.29 -0.04 -1.26 -4.62 135.00 135.17 3e9o n PRO 1964Ca -0.16 -2.14 0.17 0.00 -0.04 0.00 0.00 63.50 61.32 3e9o n PRO 1964Cb 0.55 -1.87 0.75 0.00 -0.04 0.00 0.00 33.50 32.89 3e9o n PRO 1964CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3e9o h PHE 1965N 1.12 0.00 -0.02 0.54 0.04 -1.97 -1.95 116.94 114.70 3e9o h PHE 1965Ca 0.36 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.14 3e9o h PHE 1965Cb 2.17 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.32 3e9o h PHE 1965CO 1.06 0.00 0.05 0.66 -0.60 0.00 0.00 178.31 179.48 3e9o h SER 1966N 0.00 0.00 -0.05 2.17 4.64 -1.98 -1.81 113.55 116.52 3e9o h SER 1966Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3e9o h SER 1966Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3e9o h SER 1966CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3e9o n ALA 1967N -2.15 2.58 0.00 5.18 0.00 -0.73 -4.81 120.51 120.58 3e9o n ALA 1967Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3e9o n ALA 1967Cb 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3e9o n ALA 1967CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e9o n ALA 1968N -0.45 0.92 0.00 0.00 0.00 -0.68 -3.83 120.51 116.47 3e9o n ALA 1968Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3e9o n ALA 1968Cb 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3e9o n ALA 1968CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3e9o n SER 1970N 1.50 0.00 -4.60 0.00 7.64 -1.26 -4.53 113.62 112.36 3e9o n SER 1970Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3e9o n SER 1970Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3e9o n SER 1970CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3e9o s ILE 1971N 0.00 4.60 0.22 0.44 1.01 -1.25 -4.95 121.20 121.27 3e9o s ILE 1971Ca 0.00 1.16 -0.08 0.00 0.00 0.00 0.00 60.65 61.73 3e9o s ILE 1971Cb 0.00 -4.32 0.16 0.00 0.01 0.00 0.00 42.46 38.31 3e9o s ILE 1971CO 0.00 -0.52 1.76 0.44 0.00 0.00 0.00 174.94 176.62 3e9o h ASP 1972N 8.47 0.35 -0.98 3.58 5.19 -1.90 -1.06 116.42 130.07 3e9o h ASP 1972Ca -0.23 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.26 3e9o h ASP 1972Cb 1.08 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.56 3e9o h ASP 1972CO 0.97 0.20 0.65 0.50 -3.12 0.00 0.00 179.24 178.44 3e9o h LYS 1973N 0.51 1.27 -0.12 3.56 1.63 -1.92 0.41 116.57 121.91 3e9o h LYS 1973Ca 0.33 -0.08 -0.17 0.00 -0.85 0.00 0.00 60.65 59.88 3e9o h LYS 1973Cb 0.38 -0.29 0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3e9o h LYS 1973CO -0.29 0.84 -0.60 -0.07 -3.45 0.00 0.00 179.45 175.89 3e9o h LEU 1974N 1.31 0.74 -0.71 5.20 3.38 -1.65 -2.72 115.31 120.87 3e9o h LEU 1974Ca 0.36 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3e9o h LEU 1974Cb -0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3e9o h LEU 1974CO -0.08 1.25 0.34 -1.28 0.09 0.00 0.00 178.44 178.76 3e9o h SER 1975N 0.27 0.93 -0.24 -0.43 0.87 -0.94 -2.21 113.55 111.79 3e9o h SER 1975Ca -0.04 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 3e9o h SER 1975Cb 1.24 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3e9o h SER 1975CO 0.12 0.80 0.04 0.44 -0.53 0.00 0.00 176.83 177.71 3e9o h ASP 1976N 0.99 0.38 -0.77 6.23 3.32 -0.95 -3.11 116.42 122.50 3e9o h ASP 1976Ca 0.24 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3e9o h ASP 1976Cb 0.13 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3e9o h ASP 1976CO -0.03 0.53 0.31 -0.37 -1.72 0.00 0.00 179.24 177.96 3e9o h VAL 1977N 0.20 1.26 0.00 -1.35 -1.51 -1.42 -0.93 116.25 112.50 3e9o h VAL 1977Ca 0.07 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3e9o h VAL 1977Cb 0.31 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 3e9o h VAL 1977CO 0.00 0.33 0.00 0.52 -1.23 0.00 0.00 177.57 177.19 3e9o n VAL 1978N -4.30 0.00 0.00 7.19 0.31 -0.84 -2.43 118.33 118.25 3e9o n VAL 1978Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3e9o n VAL 1978Cb 0.18 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3e9o n VAL 1978CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3e9o n LYS 1980N 0.26 0.00 -1.68 5.55 5.02 -0.35 -4.77 118.16 122.19 3e9o n LYS 1980Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 3e9o n LYS 1980Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 3e9o n LYS 1980CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3e9o n ALA 1981N 0.00 1.59 0.86 7.82 0.00 -1.02 -4.89 120.51 124.87 3e9o n ALA 1981Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.96 3e9o n ALA 1981Cb 0.00 -2.40 0.08 0.00 0.00 0.00 0.00 19.45 17.13 3e9o n ALA 1981CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3e9o n THR 1982N 3.71 0.00 -3.66 0.00 -2.24 -1.26 -4.99 114.28 105.84 3e9o n THR 1982Ca 0.17 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 3e9o n THR 1982Cb 0.30 1.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.94 3e9o n THR 1982CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3e9o s GLU 1983N -1.73 1.39 0.04 -0.78 -1.05 -1.26 -5.06 118.70 110.26 3e9o s GLU 1983Ca 0.24 -0.68 -0.35 0.00 -0.15 0.00 0.00 54.97 54.02 3e9o s GLU 1983Cb 0.17 0.53 -0.14 0.00 -0.44 0.00 0.00 34.13 34.25 3e9o s GLU 1983CO 0.26 -0.63 1.59 -2.30 0.95 0.00 0.00 175.26 175.13 3e9o n PRO 1984N -0.41 1.76 0.00 -4.83 -0.02 -1.26 -4.69 135.00 125.54 3e9o n PRO 1984Ca -0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3e9o n PRO 1984Cb 0.61 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3e9o n PRO 1984CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3e9o n GLN 1985N 4.00 0.00 0.00 -0.52 3.00 -1.20 -5.02 117.38 117.65 3e9o n GLN 1985Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 3e9o n GLN 1985Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.48 3e9o n GLN 1985CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3e9o n VAL 1987N 0.00 0.00 -3.46 5.09 0.31 -0.55 0.53 118.33 120.25 3e9o n VAL 1987Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 3e9o n VAL 1987Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 3e9o n VAL 1987CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3e9o s LEU 1988N 0.00 4.06 0.25 7.52 0.20 -1.26 -0.74 118.68 128.71 3e9o s LEU 1988Ca 0.00 0.25 0.11 0.00 0.69 0.00 0.00 54.13 55.18 3e9o s LEU 1988Cb 0.00 -2.34 -0.05 0.00 -0.43 0.00 0.00 46.19 43.37 3e9o s LEU 1988CO 0.00 -0.11 -0.16 -0.36 -0.29 0.00 0.00 176.35 175.43 3e9o s PHE 1989N 1.76 2.40 -0.36 5.38 0.40 -0.17 -4.98 117.98 122.41 3e9o s PHE 1989Ca 0.13 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 3e9o s PHE 1989Cb -0.15 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.31 3e9o s PHE 1989CO 0.09 0.64 0.20 1.21 0.70 0.00 0.00 175.22 178.06 3e9o s ASN 1990N -3.31 5.72 0.15 1.36 3.84 -1.26 0.24 114.94 121.70 3e9o s ASN 1990Ca 0.28 -0.82 0.22 0.00 0.21 0.00 0.00 52.86 52.75 3e9o s ASN 1990Cb -0.06 -2.03 0.88 0.00 -0.55 0.00 0.00 41.25 39.49 3e9o s ASN 1990CO 0.15 -0.33 1.68 0.00 -2.79 0.00 0.00 177.10 175.81 3e9o n ILE 1991N 5.01 0.75 0.09 -5.21 3.06 0.01 -1.65 119.36 121.42 3e9o n ILE 1991Ca -0.12 0.12 0.10 0.00 -2.50 0.00 0.00 62.75 60.35 3e9o n ILE 1991Cb 0.47 -0.95 0.27 0.00 0.54 0.00 0.00 39.64 39.97 3e9o n ILE 1991CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3e9o n TYR 1992N -1.97 0.78 0.00 9.51 4.01 -1.26 -4.95 117.16 123.29 3e9o n TYR 1992Ca 0.04 -0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 3e9o n TYR 1992Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3e9o n TYR 1992CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3e9o n ASP 1993N 1.29 0.00 -1.31 7.72 8.00 -0.66 -0.88 116.55 130.72 3e9o n ASP 1993Ca 0.20 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.78 3e9o n ASP 1993Cb 0.52 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.94 3e9o n ASP 1993CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3e9o n ASP 1994N 3.24 4.60 0.01 -2.24 5.75 -1.26 -4.73 116.55 121.93 3e9o n ASP 1994Ca 0.00 -2.88 0.04 0.00 -0.01 0.00 0.00 54.79 51.94 3e9o n ASP 1994Cb 0.00 -0.58 0.42 0.00 -1.03 0.00 0.00 41.12 39.93 3e9o n ASP 1994CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 3e9o h TRP 1995N 2.83 0.49 0.00 2.11 6.55 -1.41 -2.31 115.95 124.21 3e9o h TRP 1995Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3e9o h TRP 1995Cb 1.60 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.74 3e9o h TRP 1995CO 0.73 0.33 0.00 1.28 -1.05 0.00 0.00 178.44 179.73 3e9o n LEU 1996N -4.45 0.03 0.23 -4.49 4.77 -1.26 -0.14 117.00 111.69 3e9o n LEU 1996Ca 0.03 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 3e9o n LEU 1996Cb 0.08 -0.51 0.57 0.00 -2.33 0.00 0.00 43.42 41.24 3e9o n LEU 1996CO 0.36 -0.37 0.90 0.44 -1.33 0.00 0.00 177.39 177.38 3e9o h ASP 1997N 0.00 0.00 0.00 -1.43 3.32 -1.80 -3.37 116.42 113.14 3e9o h ASP 1997Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3e9o h ASP 1997Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3e9o h ASP 1997CO 0.00 0.19 -1.15 0.54 -1.72 0.00 0.00 179.24 177.10 3e9o n ARG 1998N -3.99 3.03 -4.37 3.56 5.12 0.81 -5.09 116.66 115.73 3e9o n ARG 1998Ca -0.02 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.71 3e9o n ARG 1998Cb 0.27 -1.06 -0.10 0.00 -1.16 0.00 0.00 32.46 30.41 3e9o n ARG 1998CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3e9o s ILE 1999N -2.05 1.36 0.79 0.55 -4.36 0.04 -5.15 121.20 112.39 3e9o s ILE 1999Ca -0.02 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.17 3e9o s ILE 1999Cb 0.01 -2.34 0.07 0.00 1.25 0.00 0.00 42.46 41.45 3e9o s ILE 1999CO 0.08 -0.36 1.11 -0.94 0.24 0.00 0.00 174.94 175.08 3e9o s SER 2000N -3.36 4.57 0.28 4.36 1.04 -1.26 -4.29 113.70 115.03 3e9o s SER 2000Ca 0.28 1.15 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 3e9o s SER 2000Cb 0.04 -1.84 0.37 0.00 0.10 0.00 0.00 66.02 64.69 3e9o s SER 2000CO 0.09 -1.90 1.88 0.28 0.98 0.00 0.00 173.24 174.57 3e9o h SER 2001N -1.05 0.92 -0.31 7.02 0.02 -1.91 -0.43 113.55 117.82 3e9o h SER 2001Ca -0.47 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3e9o h SER 2001Cb 1.28 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3e9o h SER 2001CO 0.62 0.77 0.19 0.22 -1.14 0.00 0.00 176.83 177.49 3e9o h TYR 2002N 1.03 0.41 -0.47 3.45 3.20 -1.93 0.28 116.97 122.93 3e9o h TYR 2002Ca 0.25 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3e9o h TYR 2002Cb 0.08 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3e9o h TYR 2002CO 0.01 0.30 0.20 1.15 -1.64 0.00 0.00 178.16 178.18 3e9o h THR 2003N 0.41 1.20 -0.34 1.81 2.02 -1.88 -0.22 112.91 115.91 3e9o h THR 2003Ca 0.11 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3e9o h THR 2003Cb 0.00 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3e9o h THR 2003CO -0.02 0.23 0.20 0.00 0.37 0.00 0.00 175.52 176.30 3e9o h ALA 2004N 1.04 0.43 -0.62 6.16 0.00 -0.90 0.02 119.26 125.40 3e9o h ALA 2004Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3e9o h ALA 2004Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3e9o h ALA 2004CO -0.02 -0.08 0.05 0.35 0.00 0.00 0.00 179.25 179.55 3e9o h PHE 2005N 0.44 1.13 -0.61 0.00 3.57 -0.35 -0.97 116.94 120.16 3e9o h PHE 2005Ca 0.12 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3e9o h PHE 2005Cb 0.00 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3e9o h PHE 2005CO -0.04 0.98 0.28 0.77 -2.23 0.00 0.00 178.31 178.07 3e9o h SER 2006N 0.98 0.80 -0.20 0.41 0.02 -0.85 -1.47 113.55 113.24 3e9o h SER 2006Ca 0.18 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3e9o h SER 2006Cb 0.49 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3e9o h SER 2006CO 0.02 0.72 0.12 -0.09 -1.14 0.00 0.00 176.83 176.46 3e9o h ARG 2007N 0.83 0.27 -0.35 3.45 2.43 -0.82 -2.20 114.38 118.00 3e9o h ARG 2007Ca 0.21 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3e9o h ARG 2007Cb 0.13 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3e9o h ARG 2007CO -0.02 0.23 0.18 1.25 -1.51 0.00 0.00 179.97 180.10 3e9o h LEU 2008N 0.23 0.27 -0.63 3.80 5.85 -0.99 -0.23 115.31 123.61 3e9o h LEU 2008Ca 0.07 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 3e9o h LEU 2008Cb 0.03 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3e9o h LEU 2008CO -0.01 0.20 -0.48 0.71 -0.34 0.00 0.00 178.44 178.52 3e9o h THR 2009N 0.37 1.32 -0.33 1.05 1.35 -1.29 -1.20 112.91 114.19 3e9o h THR 2009Ca 0.15 -1.69 -0.02 0.00 -0.55 0.00 0.00 66.41 64.29 3e9o h THR 2009Cb 0.05 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3e9o h THR 2009CO -0.09 0.53 0.13 0.25 -0.25 0.00 0.00 175.52 176.08 3e9o h LEU 2010N 0.40 0.46 -0.10 3.87 5.85 -1.11 -1.18 115.31 123.51 3e9o h LEU 2010Ca 0.02 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.57 3e9o h LEU 2010Cb 0.99 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3e9o h LEU 2010CO 0.09 0.51 0.05 -0.07 -0.34 0.00 0.00 178.44 178.68 3e9o h LEU 2011N 0.39 0.07 -0.75 2.25 3.38 -0.87 -1.00 115.31 118.77 3e9o h LEU 2011Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3e9o h LEU 2011Cb 0.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3e9o h LEU 2011CO -0.01 0.06 0.08 -0.07 0.09 0.00 0.00 178.44 178.59 3e9o h LEU 2012N 0.10 0.98 -0.66 1.67 3.38 -1.19 -0.10 115.31 119.49 3e9o h LEU 2012Ca 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3e9o h LEU 2012Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3e9o h LEU 2012CO -0.03 0.99 0.32 0.03 0.09 0.00 0.00 178.44 179.85 3e9o h ARG 2013N 0.96 0.95 -0.21 1.13 3.08 -1.11 0.14 114.38 119.32 3e9o h ARG 2013Ca 0.19 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3e9o h ARG 2013Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3e9o h ARG 2013CO 0.02 0.76 0.10 0.00 -1.07 0.00 0.00 179.97 179.77 3e9o h ALA 2014N 1.15 0.26 -0.76 0.04 0.00 -0.85 -1.04 119.26 118.06 3e9o h ALA 2014Ca 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3e9o h ALA 2014Cb 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3e9o h ALA 2014CO -0.03 -0.18 0.50 -0.07 0.00 0.00 0.00 179.25 179.47 3e9o h LEU 2015N 0.21 0.86 -1.01 0.00 3.38 -0.85 0.24 115.31 118.13 3e9o h LEU 2015Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3e9o h LEU 2015Cb 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3e9o h LEU 2015CO -0.01 0.61 0.14 0.50 0.09 0.00 0.00 178.44 179.77 3e9o h LYS 2016N 1.01 0.85 0.00 1.13 3.64 -0.59 -2.45 116.57 120.17 3e9o h LYS 2016Ca 0.29 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3e9o h LYS 2016Cb -0.09 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3e9o h LYS 2016CO -0.07 0.76 -0.15 1.15 -2.27 0.00 0.00 179.45 178.87 3e9o h THR 2017N 0.82 1.60 -1.79 1.00 2.02 -0.41 -3.43 112.91 112.72 3e9o h THR 2017Ca 0.18 -1.96 -0.33 0.00 0.77 0.00 0.00 66.41 65.07 3e9o h THR 2017Cb 0.29 2.88 -0.29 0.00 -1.74 0.00 0.00 68.15 69.29 3e9o h THR 2017CO -0.00 0.52 -0.67 0.21 0.37 0.00 0.00 175.52 175.95 3e9o s ASN 2018N -6.20 0.66 0.16 4.18 3.84 0.00 -5.04 114.94 112.54 3e9o s ASN 2018Ca -0.17 -1.63 -0.15 0.00 0.21 0.00 0.00 52.86 51.12 3e9o s ASN 2018Cb -0.00 0.75 0.04 0.00 -0.55 0.00 0.00 41.25 41.49 3e9o s ASN 2018CO 0.72 -0.22 1.82 -0.08 -2.79 0.00 0.00 177.10 176.55 3e9o h GLU 2019N 6.77 0.60 -0.46 0.43 4.81 -1.60 -2.04 114.58 123.08 3e9o h GLU 2019Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3e9o h GLU 2019Cb 1.06 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3e9o h GLU 2019CO 0.18 0.39 0.29 1.05 -0.73 0.00 0.00 179.01 180.20 3e9o h GLU 2020N 0.61 0.62 -0.59 1.92 9.09 -1.93 -1.88 114.58 122.42 3e9o h GLU 2020Ca 0.17 -0.05 -0.10 0.00 0.05 0.00 0.00 59.36 59.43 3e9o h GLU 2020Cb -0.07 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 26.88 3e9o h GLU 2020CO -0.04 0.44 -0.02 0.77 0.05 0.00 0.00 179.01 180.21 3e9o h SER 2021N 0.62 1.04 -0.64 3.06 0.02 -1.91 -3.09 113.55 112.64 3e9o h SER 2021Ca 0.17 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 3e9o h SER 2021Cb -0.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 3e9o h SER 2021CO -0.03 1.09 0.19 0.00 -1.14 0.00 0.00 176.83 176.94 3e9o h ALA 2022N 1.01 0.85 0.00 3.77 0.00 -1.23 -2.18 119.26 121.46 3e9o h ALA 2022Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3e9o h ALA 2022Cb 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3e9o h ALA 2022CO 0.03 0.53 0.00 1.63 0.00 0.00 0.00 179.25 181.44 3e9o n LYS 2023N -4.35 0.36 0.00 0.00 5.02 -0.72 -1.77 118.16 116.71 3e9o n LYS 2023Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3e9o n LYS 2023Cb 0.22 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3e9o n LYS 2023CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3e9o n ILE 2025N 1.13 0.00 0.06 -0.18 5.41 -0.82 -1.56 119.36 123.39 3e9o n ILE 2025Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 3e9o n ILE 2025Cb 0.18 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.25 3e9o n ILE 2025CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3e9o h LEU 2026N 0.00 0.39 -1.74 1.39 3.38 -1.64 -2.47 115.31 114.62 3e9o h LEU 2026Ca 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3e9o h LEU 2026Cb 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3e9o h LEU 2026CO 0.00 0.82 -0.17 -0.07 0.09 0.00 0.00 178.44 179.11 3e9o h LEU 2027N 0.28 0.00 0.00 1.67 3.38 -1.56 -3.45 115.31 115.63 3e9o h LEU 2027Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3e9o h LEU 2027Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3e9o h LEU 2027CO 0.08 0.17 0.00 -0.24 0.09 0.00 0.00 178.44 178.54 3e9o n SER 2028N -3.93 0.00 -4.83 -0.43 2.88 -0.93 -4.75 113.62 101.63 3e9o n SER 2028Ca -0.02 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.30 3e9o n SER 2028Cb 0.26 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.80 3e9o n SER 2028CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3e9o s ASP 2029N -4.00 4.75 0.01 -3.46 -4.77 -1.26 -4.98 116.67 102.95 3e9o s ASP 2029Ca 0.00 -0.41 0.08 0.00 -3.30 0.00 0.00 52.55 48.93 3e9o s ASP 2029Cb 0.00 -0.14 0.36 0.00 -1.09 0.00 0.00 42.92 42.05 3e9o s ASP 2029CO 0.00 -1.56 1.27 -2.65 0.70 0.00 0.00 175.17 172.92 3e9o n PRO 2030N -2.57 0.00 0.10 2.11 -0.02 -1.26 -2.34 135.00 131.04 3e9o n PRO 2030Ca 0.13 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3e9o n PRO 2030Cb 0.61 -1.51 0.16 0.00 -0.02 0.00 0.00 33.50 32.73 3e9o n PRO 2030CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3e9o h THR 2031N 0.00 0.00 -3.55 3.45 1.35 -1.93 -3.46 112.91 108.76 3e9o h THR 2031Ca 0.00 -0.71 -0.52 0.00 -0.55 0.00 0.00 66.41 64.63 3e9o h THR 2031Cb 0.14 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 3e9o h THR 2031CO 0.00 0.00 0.24 -0.63 -0.25 0.00 0.00 175.52 174.88 3e9o s ILE 2032N -3.22 4.42 0.14 6.82 1.09 -0.99 -5.07 121.20 124.41 3e9o s ILE 2032Ca 0.05 1.83 0.07 0.00 -1.10 0.00 0.00 60.65 61.50 3e9o s ILE 2032Cb 0.11 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 3e9o s ILE 2032CO 0.71 0.44 -0.15 0.42 -0.10 0.00 0.00 174.94 176.27 3e9o s THR 2033N -0.67 1.48 -0.15 2.92 -4.23 -1.26 -4.96 115.64 108.77 3e9o s THR 2033Ca 0.40 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3e9o s THR 2033Cb -0.23 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 71.92 3e9o s THR 2033CO 0.27 -0.45 -0.20 -0.51 -0.54 0.00 0.00 174.62 173.20 3e9o s ILE 2034N -2.33 2.20 0.48 2.99 2.07 -1.26 -0.62 121.20 124.72 3e9o s ILE 2034Ca 0.13 -0.92 -0.24 0.00 -1.41 0.00 0.00 60.65 58.21 3e9o s ILE 2034Cb -0.04 -1.90 -0.08 0.00 0.13 0.00 0.00 42.46 40.58 3e9o s ILE 2034CO 0.04 0.54 1.31 0.29 -1.91 0.00 0.00 174.94 175.21 3e9o n LYS 2035N 4.18 1.85 0.13 3.50 5.02 -1.26 -4.88 118.16 126.71 3e9o n LYS 2035Ca -0.20 0.67 0.17 0.00 -2.02 0.00 0.00 58.31 56.93 3e9o n LYS 2035Cb 0.51 -2.48 0.75 0.00 -0.02 0.00 0.00 35.03 33.80 3e9o n LYS 2035CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3e9o h SER 2036N 1.80 0.00 -0.31 4.39 4.64 -1.99 -1.84 113.55 120.24 3e9o h SER 2036Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3e9o h SER 2036Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3e9o h SER 2036CO 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 3e9o n TYR 2037N -4.06 0.42 -3.62 4.77 0.18 -1.26 -4.98 117.16 108.60 3e9o n TYR 2037Ca 0.04 -0.44 -0.27 0.00 1.88 0.00 0.00 57.90 59.11 3e9o n TYR 2037Cb 0.42 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.32 3e9o n TYR 2037CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3e9o s HIS 2038N -0.99 3.48 0.02 -3.48 3.76 -0.69 -4.98 115.29 112.40 3e9o s HIS 2038Ca 0.22 0.39 0.08 0.00 -0.15 0.00 0.00 55.06 55.60 3e9o s HIS 2038Cb 0.12 -1.89 -0.23 0.00 1.11 0.00 0.00 32.58 31.69 3e9o s HIS 2038CO 0.16 0.33 0.89 -0.07 -0.85 0.00 0.00 174.74 175.20 3e9o h LEU 2039N 1.86 0.06 -9.01 0.89 4.07 -1.86 -3.45 115.31 107.87 3e9o h LEU 2039Ca -0.48 -0.10 -0.59 0.00 0.08 0.00 0.00 57.88 56.79 3e9o h LEU 2039Cb 1.19 -0.02 -0.17 0.00 1.08 0.00 0.00 40.66 42.74 3e9o h LEU 2039CO 0.67 1.09 -0.79 0.26 -1.08 0.00 0.00 178.44 178.59 3e9o s TRP 2040N -2.64 2.11 0.93 1.13 0.52 -1.26 -4.85 118.94 114.88 3e9o s TRP 2040Ca -0.04 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.57 3e9o s TRP 2040Cb 0.08 -1.00 0.15 0.00 -1.15 0.00 0.00 33.47 31.55 3e9o s TRP 2040CO 0.83 0.50 1.10 -2.14 0.02 0.00 0.00 176.95 177.25 3e9o s PRO 2041N -3.01 0.91 -1.06 4.98 0.02 -1.26 -4.59 135.00 130.99 3e9o s PRO 2041Ca 0.22 1.17 -0.17 0.00 0.02 0.00 0.00 61.00 62.24 3e9o s PRO 2041Cb -0.06 -1.74 0.14 0.00 0.02 0.00 0.00 34.50 32.86 3e9o s PRO 2041CO 0.10 -2.58 1.29 -1.12 -0.33 0.00 0.00 177.00 174.36 3e9o s SER 2042N -2.95 6.80 0.00 2.53 0.01 0.21 -4.97 113.70 115.33 3e9o s SER 2042Ca 0.65 -2.39 -0.09 0.00 1.31 0.00 0.00 55.95 55.43 3e9o s SER 2042Cb -0.21 -2.42 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 3e9o s SER 2042CO 0.59 -0.98 0.31 -0.36 0.41 0.00 0.00 173.24 173.21 3e9o s PHE 2043N 2.49 3.62 0.99 2.43 0.08 -1.26 -4.70 117.98 121.62 3e9o s PHE 2043Ca 0.38 0.71 -0.11 0.00 0.12 0.00 0.00 56.93 58.03 3e9o s PHE 2043Cb -0.03 -2.08 0.18 0.00 -0.57 0.00 0.00 43.02 40.52 3e9o s PHE 2043CO -0.05 0.62 1.09 0.95 -0.10 0.00 0.00 175.22 177.73 3e9o s THR 2044N -1.23 2.26 0.19 0.64 -4.23 -1.26 -4.74 115.64 107.27 3e9o s THR 2044Ca 0.26 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 3e9o s THR 2044Cb -0.14 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.56 3e9o s THR 2044CO 0.14 -0.11 1.77 0.44 -0.54 0.00 0.00 174.62 176.32 3e9o h ASP 2045N -2.01 0.34 -0.42 3.99 3.32 -1.99 0.42 116.42 120.06 3e9o h ASP 2045Ca -0.51 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3e9o h ASP 2045Cb 1.29 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3e9o h ASP 2045CO 0.48 0.22 0.19 -0.33 -1.72 0.00 0.00 179.24 178.08 3e9o h GLU 2046N 0.49 0.62 -0.60 3.56 3.07 -2.00 -2.56 114.58 117.15 3e9o h GLU 2046Ca 0.26 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3e9o h GLU 2046Cb 0.23 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 3e9o h GLU 2046CO -0.22 0.54 0.39 1.96 -1.40 0.00 0.00 179.01 180.28 3e9o h GLN 2047N 0.54 0.81 -1.00 2.33 4.20 -1.81 -2.46 115.11 117.73 3e9o h GLN 2047Ca 0.14 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.87 3e9o h GLN 2047Cb 0.14 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 3e9o h GLN 2047CO -0.02 0.55 0.64 -1.49 -0.67 0.00 0.00 178.83 177.84 3e9o h TRP 2048N 0.82 1.18 -0.76 2.96 -0.00 -0.78 0.16 115.95 119.52 3e9o h TRP 2048Ca 0.22 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.14 3e9o h TRP 2048Cb -0.06 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 28.68 3e9o h TRP 2048CO -0.03 0.58 0.45 0.82 -0.00 0.00 0.00 178.44 180.26 3e9o h ILE 2049N 1.12 1.22 -0.15 1.49 2.04 -1.03 0.14 117.51 122.34 3e9o h ILE 2049Ca 0.44 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3e9o h ILE 2049Cb 0.24 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3e9o h ILE 2049CO -0.20 0.23 -0.04 0.74 0.00 0.00 0.00 178.15 178.88 3e9o h THR 2050N 1.04 1.29 -0.45 -0.27 2.02 -0.95 -1.37 112.91 114.21 3e9o h THR 2050Ca 0.27 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.50 3e9o h THR 2050Cb -0.03 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3e9o h THR 2050CO -0.05 0.30 0.17 0.40 0.37 0.00 0.00 175.52 176.70 3e9o h ILE 2051N -0.00 0.87 -0.63 3.11 1.08 -0.53 -0.55 117.51 120.86 3e9o h ILE 2051Ca 0.04 -0.12 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 3e9o h ILE 2051Cb 0.47 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3e9o h ILE 2051CO 0.02 0.06 0.41 -0.33 -0.69 0.00 0.00 178.15 177.62 3e9o h GLU 2052N 0.34 0.83 -0.44 2.37 5.08 -0.64 -2.23 114.58 119.89 3e9o h GLU 2052Ca 0.21 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3e9o h GLU 2052Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3e9o h GLU 2052CO -0.21 0.55 -0.08 0.66 -1.00 0.00 0.00 179.01 178.93 3e9o h SER 2053N 0.85 0.76 0.00 1.42 4.64 -0.13 -1.22 113.55 119.87 3e9o h SER 2053Ca 0.23 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3e9o h SER 2053Cb -0.10 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 3e9o h SER 2053CO -0.05 0.88 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 3e9o n GLN 2054N -4.18 0.32 0.00 4.77 6.02 -0.32 -1.36 117.38 122.63 3e9o n GLN 2054Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3e9o n GLN 2054Cb 0.35 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3e9o n GLN 2054CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3e9o n ARG 2056N 0.70 0.00 -0.36 -1.09 1.74 -0.46 -0.81 116.66 116.38 3e9o n ARG 2056Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3e9o n ARG 2056Cb 0.14 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.68 3e9o n ARG 2056CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3e9o h ASP 2057N 0.00 1.12 -0.08 0.55 3.58 -1.49 -0.80 116.42 119.30 3e9o h ASP 2057Ca 0.00 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.42 3e9o h ASP 2057Cb 0.00 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 3e9o h ASP 2057CO 0.00 0.83 -0.01 0.25 -2.88 0.00 0.00 179.24 177.43 3e9o h LEU 2058N 1.31 -0.05 -0.38 2.28 6.46 -1.24 0.33 115.31 124.03 3e9o h LEU 2058Ca 0.35 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.10 3e9o h LEU 2058Cb -0.12 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 3e9o h LEU 2058CO -0.07 -0.01 0.14 0.40 -0.62 0.00 0.00 178.44 178.27 3e9o h ILE 2059N 0.02 1.20 -0.68 4.05 2.04 -1.77 -2.26 117.51 120.11 3e9o h ILE 2059Ca 0.04 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3e9o h ILE 2059Cb 0.05 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3e9o h ILE 2059CO -0.07 0.23 0.31 -0.07 0.00 0.00 0.00 178.15 178.55 3e9o h LEU 2060N 0.47 0.91 -0.59 1.44 3.38 -1.02 -1.12 115.31 118.77 3e9o h LEU 2060Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3e9o h LEU 2060Cb 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3e9o h LEU 2060CO -0.01 0.80 0.32 0.74 0.09 0.00 0.00 178.44 180.38 3e9o h THR 2061N 0.95 1.20 -0.10 0.22 2.02 -0.80 0.54 112.91 116.94 3e9o h THR 2061Ca 0.23 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 3e9o h THR 2061Cb 0.15 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3e9o h THR 2061CO -0.03 0.22 0.03 -0.33 0.37 0.00 0.00 175.52 175.78 3e9o h GLU 2062N 0.80 0.15 -0.57 6.66 4.39 -1.23 0.11 114.58 124.90 3e9o h GLU 2062Ca 0.21 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.98 3e9o h GLU 2062Cb 0.06 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.60 3e9o h GLU 2062CO -0.03 0.30 0.08 -0.92 -1.16 0.00 0.00 179.01 177.28 3e9o h TYR 2063N -0.03 0.11 -0.16 4.33 3.20 -0.89 0.28 116.97 123.82 3e9o h TYR 2063Ca 0.03 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.96 3e9o h TYR 2063Cb 0.21 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3e9o h TYR 2063CO -0.00 -0.07 0.03 0.78 -1.64 0.00 0.00 178.16 177.26 3e9o h GLY 2064N 0.20 0.17 0.91 1.82 0.00 0.45 -1.95 103.07 104.68 3e9o h GLY 2064Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 3e9o h GLY 2064CO -0.42 0.00 0.10 3.21 0.00 0.00 0.00 176.54 179.43 3e9o h ARG 2065N 0.09 0.50 -0.49 4.80 3.08 -0.29 -0.76 114.38 121.32 3e9o h ARG 2065Ca 0.07 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3e9o h ARG 2065Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3e9o h ARG 2065CO -0.09 0.54 0.29 -0.22 -1.07 0.00 0.00 179.97 179.42 3e9o h LYS 2066N 0.37 0.56 -0.44 0.04 3.64 -0.25 -3.15 116.57 117.34 3e9o h LYS 2066Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3e9o h LYS 2066Cb 0.25 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3e9o h LYS 2066CO -0.00 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.21 3e9o n TYR 2067N -4.81 0.69 -3.77 1.91 4.02 -0.75 -4.98 117.16 109.47 3e9o n TYR 2067Ca 0.03 -0.54 -0.29 0.00 -0.01 0.00 0.00 57.90 57.09 3e9o n TYR 2067Cb 0.07 -0.06 0.02 0.00 -0.02 0.00 0.00 39.34 39.35 3e9o n TYR 2067CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3e9o n ASN 2068N 0.70 -3.41 -4.27 7.72 4.13 -0.62 -4.98 115.26 114.52 3e9o n ASN 2068Ca 0.16 -1.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.10 3e9o n ASN 2068Cb 0.54 -3.31 -0.16 0.00 -1.54 0.00 0.00 39.78 35.31 3e9o n ASN 2068CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3e9o s VAL 2069N -3.63 2.32 -0.82 2.41 -7.23 -0.39 -5.05 120.40 108.00 3e9o s VAL 2069Ca 0.29 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 59.27 3e9o s VAL 2069Cb -0.11 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 3e9o s VAL 2069CO 0.87 0.56 1.72 0.21 -0.31 0.00 0.00 175.10 178.14 3e9o s ASN 2070N 0.18 5.61 0.59 4.85 3.04 -1.26 -4.55 114.94 123.41 3e9o s ASN 2070Ca -0.13 -0.52 0.38 0.00 0.04 0.00 0.00 52.86 52.64 3e9o s ASN 2070Cb -0.16 -2.55 1.85 0.00 -1.54 0.00 0.00 41.25 38.84 3e9o s ASN 2070CO 0.07 -2.25 2.15 0.16 -3.04 0.00 0.00 177.10 174.18 3e9o h ILE 2071N 6.88 0.00 0.00 -5.21 3.07 -1.94 -0.07 117.51 120.24 3e9o h ILE 2071Ca -0.04 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3e9o h ILE 2071Cb 1.06 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 3e9o h ILE 2071CO 1.27 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 179.14 3e9o h SER 2072N 0.00 0.00 0.15 2.16 4.64 -2.01 -3.06 113.55 115.44 3e9o h SER 2072Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3e9o h SER 2072Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3e9o h SER 2072CO 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.69 3e9o n ALA 2073N -1.97 3.12 -1.78 5.18 0.00 -0.04 -4.92 120.51 120.09 3e9o n ALA 2073Ca 0.03 -0.47 -0.37 0.00 0.00 0.00 0.00 53.44 52.63 3e9o n ALA 2073Cb 0.40 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 3e9o n ALA 2073CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3e9o s LEU 2074N -2.44 4.34 0.78 0.00 1.02 -1.16 -5.06 118.68 116.17 3e9o s LEU 2074Ca 0.25 1.94 -0.11 0.00 0.02 0.00 0.00 54.13 56.23 3e9o s LEU 2074Cb 0.19 -3.98 0.06 0.00 0.02 0.00 0.00 46.19 42.49 3e9o s LEU 2074CO 0.51 -0.16 1.09 0.42 0.02 0.00 0.00 176.35 178.23 3e9o s THR 2075N -1.54 3.28 0.35 5.49 -4.23 -1.26 -4.88 115.64 112.86 3e9o s THR 2075Ca 0.50 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 3e9o s THR 2075Cb -0.22 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.77 3e9o s THR 2075CO 0.27 -0.54 1.97 0.06 -0.54 0.00 0.00 174.62 175.84 3e9o h GLN 2076N -1.08 0.69 -0.42 3.99 3.07 -1.98 -1.57 115.11 117.81 3e9o h GLN 2076Ca -0.46 -0.07 -0.06 0.00 0.09 0.00 0.00 58.65 58.14 3e9o h GLN 2076Cb 1.25 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.66 3e9o h GLN 2076CO 0.57 0.52 0.01 1.15 0.09 0.00 0.00 178.83 181.18 3e9o h THR 2077N 0.70 1.26 -0.59 1.86 2.02 -1.99 -1.42 112.91 114.74 3e9o h THR 2077Ca 0.18 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 3e9o h THR 2077Cb 0.05 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3e9o h THR 2077CO -0.03 0.34 0.19 -0.33 0.37 0.00 0.00 175.52 176.06 3e9o h GLU 2078N 0.58 0.92 -0.09 6.66 5.08 -1.85 -2.23 114.58 123.65 3e9o h GLU 2078Ca 0.12 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3e9o h GLU 2078Cb 0.46 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3e9o h GLU 2078CO 0.02 0.82 0.05 0.82 -1.00 0.00 0.00 179.01 179.72 3e9o h ILE 2079N 0.84 1.08 -0.80 3.13 2.04 -1.20 -2.42 117.51 120.18 3e9o h ILE 2079Ca 0.19 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3e9o h ILE 2079Cb 0.28 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3e9o h ILE 2079CO -0.01 0.07 0.43 0.50 0.00 0.00 0.00 178.15 179.14 3e9o h LYS 2080N 0.06 0.67 0.00 2.37 3.64 -1.17 -1.31 116.57 120.83 3e9o h LYS 2080Ca 0.03 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3e9o h LYS 2080Cb 0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3e9o h LYS 2080CO -0.01 0.44 -0.08 0.22 -2.27 0.00 0.00 179.45 177.76 3e9o h ASP 2081N 0.69 -0.23 -0.28 4.20 3.58 -1.20 -1.39 116.42 121.79 3e9o h ASP 2081Ca 0.40 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.93 3e9o h ASP 2081Cb 0.45 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.56 3e9o h ASP 2081CO -0.29 -0.12 0.05 0.40 -2.88 0.00 0.00 179.24 176.40 3e9o h ILE 2082N -0.14 0.87 -1.01 2.25 2.04 -1.01 -2.84 117.51 117.66 3e9o h ILE 2082Ca 0.03 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3e9o h ILE 2082Cb 0.18 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3e9o h ILE 2082CO -0.08 0.03 0.67 0.40 0.00 0.00 0.00 178.15 179.17 3e9o h ILE 2083N 0.15 1.23 0.00 -0.67 5.03 -1.02 -2.04 117.51 120.19 3e9o h ILE 2083Ca 0.13 -0.46 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 3e9o h ILE 2083Cb 0.13 -0.22 0.00 0.00 -3.03 0.00 0.00 36.82 33.70 3e9o h ILE 2083CO -0.17 0.24 0.00 0.18 -0.68 0.00 0.00 178.15 177.72 3e9o n LEU 2084N -4.40 0.00 -1.71 1.44 4.77 -0.54 -4.93 117.00 111.62 3e9o n LEU 2084Ca 0.13 0.35 -0.20 0.00 -0.03 0.00 0.00 56.01 56.26 3e9o n LEU 2084Cb 0.04 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 3e9o n LEU 2084CO 0.36 -0.06 -0.21 0.61 -1.33 0.00 0.00 177.39 176.76 3e9o n GLY 2085N 0.86 1.39 0.58 -0.72 0.00 -0.77 -4.88 105.19 101.65 3e9o n GLY 2085Ca 0.10 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3e9o n GLY 2085CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3e9o n GLN 2086N -2.53 1.73 -0.95 1.61 1.13 -1.26 -4.75 117.38 112.36 3e9o n GLN 2086Ca -0.21 -1.13 0.00 0.00 -1.94 0.00 0.00 57.00 53.72 3e9o n GLN 2086Cb 0.67 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.71 3e9o n GLN 2086CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91