#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h s ILE 1838N 0.00 -0.17 0.03 -0.61 2.07 -1.26 -5.13 121.20 116.12 2b0h s ILE 1838Ca 0.00 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.09 2b0h s ILE 1838Cb 0.00 -0.52 -0.06 0.00 0.13 0.00 0.00 42.46 42.01 2b0h s ILE 1838CO 0.00 0.06 1.45 -0.62 -1.91 0.00 0.00 174.94 173.92 2b0h s ASP 1839N 1.67 6.80 0.00 4.50 2.15 -1.26 -4.90 116.67 125.63 2b0h s ASP 1839Ca -0.07 2.21 0.15 0.00 0.43 0.00 0.00 52.55 55.26 2b0h s ASP 1839Cb -0.10 -2.56 0.82 0.00 -0.30 0.00 0.00 42.92 40.77 2b0h s ASP 1839CO -0.11 -0.75 1.53 -0.81 -0.17 0.00 0.00 175.17 174.87 2b0h n PRO 1840N 5.27 1.08 -3.25 4.34 -0.04 -1.26 -4.86 135.00 136.29 2b0h n PRO 1840Ca 0.13 -0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.28 2b0h n PRO 1840Cb 0.43 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2b0h n PRO 1840CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2b0h s PHE 1841N -1.97 2.53 -0.05 0.54 0.08 -1.26 -5.04 117.98 112.80 2b0h s PHE 1841Ca 0.22 -0.50 0.08 0.00 0.12 0.00 0.00 56.93 56.85 2b0h s PHE 1841Cb 0.10 -2.26 0.12 0.00 -0.57 0.00 0.00 43.02 40.41 2b0h s PHE 1841CO 0.17 -0.42 1.04 0.25 -0.10 0.00 0.00 175.22 176.16 2b0h n THR 1842N -1.80 1.28 -0.96 0.64 -2.24 -1.26 -5.11 114.28 104.83 2b0h n THR 1842Ca 0.07 -1.44 0.12 0.00 -2.27 0.00 0.00 64.05 60.54 2b0h n THR 1842Cb 0.61 0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 2b0h n THR 1842CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2b0h n MET 1843N -0.85 -2.08 -2.43 -0.78 2.81 -1.26 -4.83 117.12 107.70 2b0h n MET 1843Ca 0.07 1.56 -0.39 0.00 -1.81 0.00 0.00 57.70 57.13 2b0h n MET 1843Cb 0.45 -2.49 -0.04 0.00 -0.71 0.00 0.00 33.22 30.44 2b0h n MET 1843CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2b0h s GLY 1844N -6.49 2.95 -0.36 3.03 0.00 -1.26 -5.01 107.32 100.19 2b0h s GLY 1844Ca 0.00 0.89 -0.19 0.00 0.00 0.00 0.00 44.72 45.43 2b0h s GLY 1844CO 0.00 1.45 0.55 -0.35 0.00 0.00 0.00 173.10 174.75 2b0h s ASP 1845N -1.05 6.34 0.10 1.64 2.15 -1.26 -4.92 116.67 119.67 2b0h s ASP 1845Ca 0.50 -0.01 0.21 0.00 0.43 0.00 0.00 52.55 53.68 2b0h s ASP 1845Cb -0.30 -2.29 -0.13 0.00 -0.30 0.00 0.00 42.92 39.91 2b0h s ASP 1845CO 0.38 -0.53 0.81 -0.81 -0.17 0.00 0.00 175.17 174.85 2b0h n PRO 1846N 5.85 0.63 -0.07 4.34 -0.04 -1.26 -4.67 135.00 139.78 2b0h n PRO 1846Ca -0.04 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 2b0h n PRO 1846Cb 0.49 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 2b0h n PRO 1846CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2b0h n GLU 1847N -2.61 1.46 0.00 0.54 -0.00 -1.26 -5.06 120.64 113.71 2b0h n GLU 1847Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 2b0h n GLU 1847Cb 0.64 -1.33 0.00 0.00 -0.00 0.00 0.00 31.44 30.74 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b0h n GLY 1848N 2.34 3.34 0.00 -1.84 0.00 -1.26 -4.82 105.19 102.95 2b0h n GLY 1848Ca -0.24 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2b0h n GLY 1848CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2b0h n SER 1849N 0.15 0.67 0.32 1.61 7.64 -1.26 -4.80 113.62 117.96 2b0h n SER 1849Ca 0.00 0.00 0.20 0.00 1.01 0.00 0.00 58.87 60.08 2b0h n SER 1849Cb 0.00 0.13 1.07 0.00 -1.01 0.00 0.00 64.21 64.40 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2b0h h PHE 1850N 0.00 0.00 -0.87 1.43 3.57 -1.88 -2.08 116.94 117.12 2b0h h PHE 1850Ca 0.00 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.71 2b0h h PHE 1850Cb 0.02 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 2b0h h PHE 1850CO 0.00 0.01 0.58 -0.39 -2.23 0.00 0.00 178.31 176.28 2b0h h VAL 1851N 0.00 0.67 0.01 1.41 -1.51 -1.96 0.20 116.25 115.07 2b0h h VAL 1851Ca -0.00 -0.11 -0.12 0.00 -1.23 0.00 0.00 66.70 65.24 2b0h h VAL 1851Cb 0.08 0.33 0.01 0.00 -2.13 0.00 0.00 31.29 29.58 2b0h h VAL 1851CO 0.00 0.06 -0.47 -0.78 -1.23 0.00 0.00 177.57 175.15 2b0h h ASP 1852N 0.31 0.40 0.11 4.19 1.82 -1.75 -3.08 116.42 118.43 2b0h h ASP 1852Ca 0.44 -0.78 -0.12 0.00 -0.39 0.00 0.00 57.03 56.18 2b0h h ASP 1852Cb 1.23 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.10 2b0h h ASP 1852CO -0.13 1.13 -0.42 1.88 -1.61 0.00 0.00 179.24 180.09 2b0h h TYR 1853N -0.28 0.46 0.87 0.28 0.05 -1.49 -2.81 116.97 114.06 2b0h h TYR 1853Ca -0.06 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.55 2b0h h TYR 1853Cb 1.21 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.85 2b0h h TYR 1853CO 0.16 0.75 -0.49 0.37 -1.05 0.00 0.00 178.16 177.90 2b0h h GLN 1854N 0.32 -1.22 -0.03 4.88 4.15 -0.70 -3.01 115.11 119.50 2b0h h GLN 1854Ca 0.03 0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 2b0h h GLN 1854Cb 0.88 0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2b0h h GLN 1854CO 0.07 -0.81 -0.17 1.15 -1.93 0.00 0.00 178.83 177.14 2b0h h THR 1855N -1.26 1.14 0.00 2.39 2.02 -1.52 -2.28 112.91 113.40 2b0h h THR 1855Ca -0.12 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 2b0h h THR 1855Cb 1.00 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2b0h h THR 1855CO 0.15 0.19 -0.00 0.00 0.37 0.00 0.00 175.52 176.22 2b0h h THR 1856N 0.04 1.39 0.00 3.16 1.03 -1.48 -3.15 112.91 113.91 2b0h h THR 1856Ca 0.01 -1.16 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 2b0h h THR 1856Cb 0.33 2.17 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 2b0h h THR 1856CO 0.02 0.30 -0.18 0.00 -0.01 0.00 0.00 175.52 175.66 2b0h h MET 1857N -0.50 0.00 -0.43 0.00 -0.00 -1.41 -2.53 114.93 110.05 2b0h h MET 1857Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 2b0h h MET 1857Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.09 2b0h h MET 1857CO 0.00 0.00 -0.26 -0.39 -0.00 0.00 0.00 176.91 176.26 2b0h h VAL 1858N 0.00 1.27 -0.60 -0.10 -1.51 -1.48 1.00 116.25 114.83 2b0h h VAL 1858Ca 0.00 -1.42 -0.06 0.00 -1.23 0.00 0.00 66.70 63.98 2b0h h VAL 1858Cb 0.84 1.24 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 2b0h h VAL 1858CO 0.00 0.48 0.12 0.03 -1.23 0.00 0.00 177.57 176.97 2b0h h ARG 1859N 0.77 0.96 -0.35 5.19 2.47 -1.48 -0.01 114.38 121.95 2b0h h ARG 1859Ca 0.09 -0.23 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 2b0h h ARG 1859Cb 0.84 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 2b0h h ARG 1859CO 0.07 0.88 0.08 1.15 0.56 0.00 0.00 179.97 182.71 2b0h h THR 1860N 0.91 1.23 -0.88 2.04 2.02 -1.23 1.00 112.91 118.00 2b0h h THR 1860Ca 0.19 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2b0h h THR 1860Cb 0.37 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 2b0h h THR 1860CO 0.01 0.26 0.45 0.00 0.37 0.00 0.00 175.52 176.60 2b0h h ALA 1861N 0.92 1.13 -0.41 6.16 0.00 -0.48 0.11 119.26 126.69 2b0h h ALA 1861Ca 0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2b0h h ALA 1861Cb 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2b0h h ALA 1861CO 0.00 0.67 -0.01 0.87 0.00 0.00 0.00 179.25 180.78 2b0h h LYS 1862N 1.24 0.67 -0.37 0.00 1.57 -0.76 0.88 116.57 119.80 2b0h h LYS 1862Ca 0.30 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2b0h h LYS 1862Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2b0h h LYS 1862CO -0.04 0.70 -0.34 0.00 -0.57 0.00 0.00 179.45 179.20 2b0h h ALA 1863N 1.36 0.69 -0.46 3.86 0.00 0.06 -0.78 119.26 123.99 2b0h h ALA 1863Ca 0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2b0h h ALA 1863Cb 0.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2b0h h ALA 1863CO 0.02 0.67 0.13 0.82 0.00 0.00 0.00 179.25 180.88 2b0h h ILE 1864N 0.71 1.23 -0.47 0.00 2.04 -0.48 -0.86 117.51 119.68 2b0h h ILE 1864Ca 0.07 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.18 2b0h h ILE 1864Cb 0.90 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2b0h h ILE 1864CO 0.08 0.28 0.27 0.00 0.00 0.00 0.00 178.15 178.78 2b0h h ALA 1865N 0.99 0.59 -0.17 1.87 0.00 -0.57 0.23 119.26 122.20 2b0h h ALA 1865Ca 0.15 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2b0h h ALA 1865Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2b0h h ALA 1865CO -0.00 -0.05 -0.48 -0.24 0.00 0.00 0.00 179.25 178.48 2b0h h VAL 1866N 0.53 1.32 0.22 0.00 3.04 -1.09 -1.76 116.25 118.53 2b0h h VAL 1866Ca 0.19 -1.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.18 2b0h h VAL 1866Cb 0.04 1.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2b0h h VAL 1866CO -0.10 0.52 -0.11 0.74 -1.01 0.00 0.00 177.57 177.61 2b0h h THR 1867N 0.35 0.84 -0.43 3.17 2.02 -0.51 -0.77 112.91 117.59 2b0h h THR 1867Ca 0.02 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2b0h h THR 1867Cb 0.97 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2b0h h THR 1867CO 0.08 0.08 0.14 -0.37 0.37 0.00 0.00 175.52 175.82 2b0h h VAL 1868N -0.49 1.18 0.00 3.16 -1.51 -0.54 -0.97 116.25 117.08 2b0h h VAL 1868Ca -0.03 -0.59 -0.10 0.00 -1.23 0.00 0.00 66.70 64.75 2b0h h VAL 1868Cb 0.37 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 2b0h h VAL 1868CO 0.05 0.22 -0.47 0.06 -1.23 0.00 0.00 177.57 176.20 2b0h h GLN 1869N 0.61 0.00 -0.34 5.19 3.07 -1.22 -2.29 115.11 120.12 2b0h h GLN 1869Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.76 2b0h h GLN 1869Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 2b0h h GLN 1869CO -0.01 0.47 -0.28 0.93 0.09 0.00 0.00 178.83 180.03 2b0h h GLU 1870N 0.00 0.72 -0.90 0.06 5.08 0.11 -2.65 114.58 117.00 2b0h h GLU 1870Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2b0h h GLU 1870Cb 1.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2b0h h GLU 1870CO 0.06 0.92 0.54 0.52 -1.00 0.00 0.00 179.01 180.05 2b0h h MET 1871N 0.62 1.22 0.00 2.33 2.86 -0.67 0.72 114.93 122.00 2b0h h MET 1871Ca 0.08 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 2b0h h MET 1871Cb 0.80 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2b0h h MET 1871CO 0.07 0.85 -0.57 -0.39 1.06 0.00 0.00 176.91 177.93 2b0h h VAL 1872N 1.24 1.27 0.00 -2.22 -1.51 -1.44 -2.72 116.25 110.87 2b0h h VAL 1872Ca 0.32 -2.04 -0.02 0.00 -1.23 0.00 0.00 66.70 63.73 2b0h h VAL 1872Cb -0.05 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2b0h h VAL 1872CO -0.06 0.56 -0.11 0.74 -1.23 0.00 0.00 177.57 177.47 2b0h h THR 1873N 0.00 1.45 -0.49 7.19 2.02 -0.89 -3.37 112.91 118.83 2b0h h THR 1873Ca -0.01 -2.13 -0.04 0.00 0.77 0.00 0.00 66.41 65.00 2b0h h THR 1873Cb 1.10 2.79 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 2b0h h THR 1873CO 0.07 0.49 0.12 0.11 0.37 0.00 0.00 175.52 176.69 2b0h h LYS 1874N -1.00 0.73 0.00 6.66 1.79 0.33 -3.03 116.57 122.05 2b0h h LYS 1874Ca -0.03 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2b0h h LYS 1874Cb 0.88 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2b0h h LYS 1874CO -0.02 0.67 0.15 0.66 -1.08 0.00 0.00 179.45 179.83 2b0h h SER 1875N 0.71 0.00 0.11 0.86 4.64 -1.54 0.94 113.55 119.27 2b0h h SER 1875Ca 0.16 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.24 2b0h h SER 1875Cb 0.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2b0h h SER 1875CO -0.00 0.00 -0.93 0.78 -0.87 0.00 0.00 176.83 175.81 2b0h h ASN 1876N 0.00 0.75 0.00 4.97 2.35 -1.75 -3.40 115.58 118.51 2b0h h ASN 1876Ca 0.00 -0.56 -0.05 0.00 -0.55 0.00 0.00 56.30 55.13 2b0h h ASN 1876Cb 0.30 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2b0h h ASN 1876CO 0.00 1.36 -1.20 0.35 -1.65 0.00 0.00 177.43 176.29 2b0h n THR 1877N -3.83 0.20 -3.85 2.81 -2.24 -0.28 -4.94 114.28 102.15 2b0h n THR 1877Ca -0.08 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 2b0h n THR 1877Cb 0.82 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 2b0h n THR 1877CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2b0h s SER 1878N -3.38 4.15 0.19 3.42 0.01 0.31 -4.89 113.70 113.51 2b0h s SER 1878Ca -0.02 -2.45 0.24 0.00 1.31 0.00 0.00 55.95 55.04 2b0h s SER 1878Cb 0.01 -1.30 0.36 0.00 0.21 0.00 0.00 66.02 65.29 2b0h s SER 1878CO 0.12 -0.31 1.38 1.55 0.41 0.00 0.00 173.24 176.39 2b0h h PRO 1879N 7.11 0.00 -0.03 12.44 0.13 -1.78 -3.28 132.00 146.59 2b0h h PRO 1879Ca -0.06 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.91 2b0h h PRO 1879Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2b0h h PRO 1879CO 0.54 0.00 -0.70 0.93 -0.23 0.00 0.00 178.00 178.54 2b0h h GLU 1880N 0.00 0.15 0.00 0.86 3.07 -1.90 -3.01 114.58 113.75 2b0h h GLU 1880Ca 0.00 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2b0h h GLU 1880Cb 0.83 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2b0h h GLU 1880CO 0.00 0.79 0.00 -1.91 -1.40 0.00 0.00 179.01 176.49 2b0h n GLU 1881N -3.77 0.18 0.00 2.33 4.07 -1.24 -2.54 120.64 119.67 2b0h n GLU 1881Ca -0.02 0.42 0.13 0.00 -0.06 0.00 0.00 57.16 57.62 2b0h n GLU 1881Cb 0.68 -1.85 0.66 0.00 -0.06 0.00 0.00 31.44 30.87 2b0h n GLU 1881CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2b0h n LEU 1882N -2.19 0.00 0.18 4.31 4.77 -1.14 -2.65 117.00 120.28 2b0h n LEU 1882Ca 0.02 0.32 -0.08 0.00 -0.03 0.00 0.00 56.01 56.24 2b0h n LEU 1882Cb 0.22 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2b0h n LEU 1882CO 0.19 -0.04 0.22 1.23 -1.33 0.00 0.00 177.39 177.67 2b0h h GLY 1883N 4.44 -0.53 2.00 -0.72 0.00 -1.69 -1.93 103.07 104.64 2b0h h GLY 1883Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2b0h h GLY 1883CO 0.00 -0.19 0.00 -1.55 0.00 0.00 0.00 176.54 174.80 2b0h n PRO 1884N -4.81 0.01 0.09 4.80 -0.04 -1.22 -1.50 135.00 132.33 2b0h n PRO 1884Ca -0.06 0.31 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 2b0h n PRO 1884Cb 0.20 -1.51 -0.15 0.00 -0.04 0.00 0.00 33.50 32.01 2b0h n PRO 1884CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2b0h h LEU 1885N 0.00 0.51 -0.12 1.53 3.38 -1.55 -3.11 115.31 115.95 2b0h h LEU 1885Ca 0.00 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 2b0h h LEU 1885Cb 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2b0h h LEU 1885CO 0.00 1.50 -0.23 0.00 0.09 0.00 0.00 178.44 179.80 2b0h h ALA 1886N 0.42 0.18 0.00 1.53 0.00 -0.43 -1.00 119.26 119.97 2b0h h ALA 1886Ca -0.22 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 2b0h h ALA 1886Cb 2.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2b0h h ALA 1886CO 0.20 0.15 -0.28 -2.95 0.00 0.00 0.00 179.25 176.37 2b0h h ASN 1887N -0.07 0.00 -0.05 0.00 -1.07 -1.57 -1.51 115.58 111.31 2b0h h ASN 1887Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 2b0h h ASN 1887Cb 0.81 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.06 2b0h h ASN 1887CO 0.05 0.28 -0.05 -0.61 0.07 0.00 0.00 177.43 177.17 2b0h h GLN 1888N 0.00 0.13 -0.25 4.14 5.75 -1.45 0.15 115.11 123.57 2b0h h GLN 1888Ca -0.00 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2b0h h GLN 1888Cb 0.61 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.12 2b0h h GLN 1888CO 0.04 0.56 -0.00 1.25 -2.65 0.00 0.00 178.83 178.02 2b0h h LEU 1889N -0.31 -0.11 -0.54 -2.39 6.46 -0.95 0.94 115.31 118.41 2b0h h LEU 1889Ca 0.01 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.87 2b0h h LEU 1889Cb 0.54 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.52 2b0h h LEU 1889CO 0.01 -0.02 0.28 0.74 -0.62 0.00 0.00 178.44 178.83 2b0h h THR 1890N 0.07 0.97 -0.24 1.05 2.02 -1.22 0.68 112.91 116.25 2b0h h THR 1890Ca 0.12 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 2b0h h THR 1890Cb 0.16 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2b0h h THR 1890CO -0.20 0.10 0.05 -1.28 0.37 0.00 0.00 175.52 174.56 2b0h h SER 1891N 0.55 0.36 -0.51 4.18 0.87 -0.18 -2.04 113.55 116.78 2b0h h SER 1891Ca 0.24 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 2b0h h SER 1891Cb 0.13 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2b0h h SER 1891CO -0.15 0.50 -0.15 -0.78 -0.53 0.00 0.00 176.83 175.72 2b0h h ASP 1892N 0.20 1.03 -0.57 6.23 1.82 -0.53 -2.76 116.42 121.85 2b0h h ASP 1892Ca 0.07 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2b0h h ASP 1892Cb 0.29 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 2b0h h ASP 1892CO 0.00 1.16 0.36 0.22 -1.61 0.00 0.00 179.24 179.37 2b0h h TYR 1893N 0.89 0.74 -0.86 0.28 3.20 -0.80 -0.58 116.97 119.85 2b0h h TYR 1893Ca 0.13 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.11 2b0h h TYR 1893Cb 0.72 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.67 2b0h h TYR 1893CO 0.05 0.49 0.50 0.78 -1.64 0.00 0.00 178.16 178.33 2b0h h GLY 1894N 0.77 1.34 0.86 1.82 0.00 -1.15 0.35 103.07 107.06 2b0h h GLY 1894Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2b0h h GLY 1894CO -0.04 0.13 0.06 -0.09 0.00 0.00 0.00 176.54 176.60 2b0h h ARG 1895N 0.82 0.28 -0.38 4.80 2.43 -1.14 -1.88 114.38 119.32 2b0h h ARG 1895Ca 0.42 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.56 2b0h h ARG 1895Cb 0.39 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 2b0h h ARG 1895CO -0.25 0.39 0.16 1.25 -1.51 0.00 0.00 179.97 180.01 2b0h h LEU 1896N 0.11 0.21 -2.14 3.80 5.85 -0.16 -1.39 115.31 121.60 2b0h h LEU 1896Ca 0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2b0h h LEU 1896Cb 0.23 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2b0h h LEU 1896CO -0.00 0.16 -0.07 0.00 -0.34 0.00 0.00 178.44 178.18 2b0h h ALA 1897N 1.22 1.32 0.00 1.25 0.00 -0.22 -1.40 119.26 121.43 2b0h h ALA 1897Ca 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2b0h h ALA 1897Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2b0h h ALA 1897CO -0.14 0.09 -0.39 0.77 0.00 0.00 0.00 179.25 179.58 2b0h h SER 1898N 0.00 0.00 1.48 0.00 0.02 -0.41 -3.11 113.55 111.53 2b0h h SER 1898Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2b0h h SER 1898Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2b0h h SER 1898CO 0.01 0.38 -0.53 1.56 -1.14 0.00 0.00 176.83 177.11 2b0h h GLN 1899N 0.00 0.00 -0.28 3.45 1.08 -0.80 -3.30 115.11 115.25 2b0h h GLN 1899Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2b0h h GLN 1899Cb 1.29 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2b0h h GLN 1899CO 0.05 0.11 -0.07 0.00 -0.95 0.00 0.00 178.83 177.97 2b0h h ALA 1900N 1.86 1.35 0.59 3.87 0.00 -1.38 -2.40 119.26 123.15 2b0h h ALA 1900Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2b0h h ALA 1900Cb 1.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2b0h h ALA 1900CO 0.02 0.44 -0.28 -0.22 0.00 0.00 0.00 179.25 179.20 2b0h h LYS 1901N 0.43 -0.76 0.00 0.00 1.63 -1.67 -2.26 116.57 113.94 2b0h h LYS 1901Ca 0.09 0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.88 2b0h h LYS 1901Cb 0.40 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 2b0h h LYS 1901CO 0.02 -0.45 -0.28 -1.35 -3.45 0.00 0.00 179.45 173.94 2b0h h PRO 1902N -1.02 0.00 -0.11 1.90 0.11 -1.75 -3.07 132.00 128.07 2b0h h PRO 1902Ca -0.08 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.86 2b0h h PRO 1902Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2b0h h PRO 1902CO 0.13 0.28 -0.65 0.00 -0.21 0.00 0.00 178.00 177.55 2b0h h ALA 1903N 1.72 0.67 -0.13 -0.75 0.00 -1.44 -2.40 119.26 116.93 2b0h h ALA 1903Ca -0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 2b0h h ALA 1903Cb 0.89 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2b0h h ALA 1903CO 0.04 0.73 -0.64 0.00 0.00 0.00 0.00 179.25 179.38 2b0h h ALA 1904N 0.99 0.64 -0.00 0.00 0.00 -1.31 -1.62 119.26 117.97 2b0h h ALA 1904Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2b0h h ALA 1904Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2b0h h ALA 1904CO 0.11 0.72 -0.16 1.33 0.00 0.00 0.00 179.25 181.26 2b0h n VAL 1905N -3.90 0.00 0.67 0.00 0.24 -1.20 -3.11 118.33 111.04 2b0h n VAL 1905Ca -0.04 -0.03 0.10 0.00 -2.04 0.00 0.00 64.34 62.34 2b0h n VAL 1905Cb 0.66 -0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.73 2b0h n VAL 1905CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b0h n ALA 1906N -1.25 4.12 -2.58 2.33 0.00 -0.91 -4.90 120.51 117.33 2b0h n ALA 1906Ca 0.10 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.55 2b0h n ALA 1906Cb 0.31 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2b0h n ALA 1906CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b0h s ALA 1907N -3.13 3.31 0.37 0.00 0.00 -0.64 -4.54 121.76 117.14 2b0h s ALA 1907Ca 0.03 -0.22 0.36 0.00 0.00 0.00 0.00 51.96 52.13 2b0h s ALA 1907Cb 0.15 -3.80 1.76 0.00 0.00 0.00 0.00 23.12 21.24 2b0h s ALA 1907CO 0.87 -1.90 2.14 1.05 0.00 0.00 0.00 175.76 177.92 2b0h h GLU 1908N 8.86 0.00 -6.07 0.00 4.11 -1.90 -3.44 114.58 116.14 2b0h h GLU 1908Ca -0.23 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.61 2b0h h GLU 1908Cb 1.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2b0h h GLU 1908CO 1.08 0.03 -0.24 1.21 0.07 0.00 0.00 179.01 181.16 2b0h s ASN 1909N -5.61 6.69 0.06 3.06 3.84 -1.26 -5.01 114.94 116.70 2b0h s ASN 1909Ca -0.02 0.84 -0.28 0.00 0.21 0.00 0.00 52.86 53.61 2b0h s ASN 1909Cb 0.11 -2.20 -0.17 0.00 -0.55 0.00 0.00 41.25 38.44 2b0h s ASN 1909CO 0.51 0.22 1.57 -0.08 -2.79 0.00 0.00 177.10 176.53 2b0h h GLU 1910N 4.04 -0.45 -0.40 0.43 4.81 -1.99 -3.21 114.58 117.81 2b0h h GLU 1910Ca -0.50 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2b0h h GLU 1910Cb 1.20 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 2b0h h GLU 1910CO 0.65 -0.25 0.16 0.93 -0.73 0.00 0.00 179.01 179.77 2b0h h GLU 1911N -0.56 0.61 -0.11 1.92 5.08 -1.97 -1.66 114.58 117.89 2b0h h GLU 1911Ca -0.05 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2b0h h GLU 1911Cb 0.42 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2b0h h GLU 1911CO 0.08 0.57 -0.29 0.82 -1.00 0.00 0.00 179.01 179.19 2b0h h ILE 1912N 0.51 0.34 -0.16 3.13 2.04 -1.84 0.61 117.51 122.15 2b0h h ILE 1912Ca 0.13 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 2b0h h ILE 1912Cb 0.19 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2b0h h ILE 1912CO -0.01 0.00 -0.19 1.23 0.00 0.00 0.00 178.15 179.18 2b0h h GLY 1913N -0.37 0.28 1.41 5.37 0.00 -1.53 -1.59 103.07 106.64 2b0h h GLY 1913Ca 0.09 -0.19 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 2b0h h GLY 1913CO -0.32 0.18 -0.88 0.00 0.00 0.00 0.00 176.54 175.52 2b0h h ALA 1914N 1.57 0.36 0.05 3.60 0.00 -0.23 -3.20 119.26 121.41 2b0h h ALA 1914Ca 0.04 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 54.03 2b0h h ALA 1914Cb 0.48 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2b0h h ALA 1914CO 0.03 0.75 -1.09 0.45 0.00 0.00 0.00 179.25 179.39 2b0h h HIS 1915N 0.34 0.89 0.19 0.00 3.86 0.39 -2.67 115.15 118.16 2b0h h HIS 1915Ca -0.07 -0.52 0.01 0.00 -1.16 0.00 0.00 60.37 58.63 2b0h h HIS 1915Cb 1.50 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.84 2b0h h HIS 1915CO 0.07 1.36 -0.44 0.82 0.86 0.00 0.00 177.93 180.59 2b0h h ILE 1916N 0.30 0.12 0.00 2.45 2.04 -1.36 0.20 117.51 121.27 2b0h h ILE 1916Ca -0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2b0h h ILE 1916Cb 1.75 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2b0h h ILE 1916CO 0.21 0.00 -0.18 0.11 0.00 0.00 0.00 178.15 178.28 2b0h h LYS 1917N -0.73 0.00 -0.08 2.37 1.57 -1.66 -2.29 116.57 115.76 2b0h h LYS 1917Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2b0h h LYS 1917Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2b0h h LYS 1917CO -0.21 0.18 -0.20 1.25 -0.57 0.00 0.00 179.45 179.90 2b0h h HIS 1918N 0.00 0.36 -0.24 -1.35 2.76 -0.97 -3.02 115.15 112.68 2b0h h HIS 1918Ca -0.00 -0.14 -0.19 0.00 -2.20 0.00 0.00 60.37 57.84 2b0h h HIS 1918Cb 0.51 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2b0h h HIS 1918CO 0.00 0.82 -0.61 0.00 -1.30 0.00 0.00 177.93 176.84 2b0h h ARG 1919N -0.21 0.80 -0.00 5.26 2.47 -0.38 -2.49 114.38 119.83 2b0h h ARG 1919Ca -0.00 -0.54 -0.05 0.00 -1.26 0.00 0.00 59.98 58.12 2b0h h ARG 1919Cb 0.81 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 2b0h h ARG 1919CO 0.04 1.17 -0.24 -0.39 0.56 0.00 0.00 179.97 181.11 2b0h h VAL 1920N 0.60 1.17 -0.33 2.04 -1.51 -1.53 0.62 116.25 117.31 2b0h h VAL 1920Ca -0.00 -0.81 -0.03 0.00 -1.23 0.00 0.00 66.70 64.62 2b0h h VAL 1920Cb 1.21 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2b0h h VAL 1920CO 0.13 0.23 0.07 -0.61 -1.23 0.00 0.00 177.57 176.16 2b0h h GLN 1921N 0.00 0.53 -0.21 5.19 4.15 -1.36 -0.30 115.11 123.11 2b0h h GLN 1921Ca -0.00 -0.13 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 2b0h h GLN 1921Cb 0.42 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2b0h h GLN 1921CO 0.03 0.60 -0.21 0.93 -1.93 0.00 0.00 178.83 178.25 2b0h h GLU 1922N 0.37 0.37 -0.07 1.69 5.08 -0.92 -2.43 114.58 118.68 2b0h h GLU 1922Ca 0.10 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2b0h h GLU 1922Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2b0h h GLU 1922CO 0.00 0.57 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.90 2b0h h LEU 1923N 0.34 0.27 -0.27 1.33 3.38 -0.69 -2.88 115.31 116.79 2b0h h LEU 1923Ca 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2b0h h LEU 1923Cb 0.56 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2b0h h LEU 1923CO 0.04 0.81 0.16 1.23 0.09 0.00 0.00 178.44 180.77 2b0h h GLY 1924N 1.49 0.40 2.00 0.83 0.00 -0.55 0.28 103.07 107.53 2b0h h GLY 1924Ca -0.01 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2b0h h GLY 1924CO 0.09 0.17 -0.28 0.45 0.00 0.00 0.00 176.54 176.97 2b0h h HIS 1925N 0.33 0.00 -0.16 5.60 3.86 -1.59 -1.67 115.15 121.52 2b0h h HIS 1925Ca 0.10 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.14 2b0h h HIS 1925Cb 0.04 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.51 2b0h h HIS 1925CO -0.04 0.28 -0.53 0.78 0.86 0.00 0.00 177.93 179.28 2b0h h GLY 1926N 2.65 0.71 0.95 2.45 0.00 -1.21 -2.63 103.07 105.98 2b0h h GLY 1926Ca -0.00 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.39 2b0h h GLY 1926CO 0.04 0.84 0.09 0.00 0.00 0.00 0.00 176.54 177.50 2b0h h SER 1928N 0.16 1.11 -0.29 0.00 4.64 -1.38 0.51 113.55 118.30 2b0h h SER 1928Ca 0.06 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 2b0h h SER 1928Cb 0.06 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2b0h h SER 1928CO -0.01 0.91 -0.09 0.00 -0.87 0.00 0.00 176.83 176.77 2b0h h ALA 1929N 1.26 0.40 0.23 5.18 0.00 -1.32 -2.78 119.26 122.23 2b0h h ALA 1929Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2b0h h ALA 1929Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2b0h h ALA 1929CO -0.04 0.23 -0.11 1.25 0.00 0.00 0.00 179.25 180.58 2b0h h LEU 1930N 0.32 -0.26 -1.93 0.00 6.46 -0.52 -2.47 115.31 116.92 2b0h h LEU 1930Ca 0.07 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 2b0h h LEU 1930Cb 0.58 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.57 2b0h h LEU 1930CO 0.03 -0.04 -0.10 -0.37 -0.62 0.00 0.00 178.44 177.34 2b0h h VAL 1931N -0.47 0.86 -0.27 1.05 -1.51 -0.98 0.40 116.25 115.33 2b0h h VAL 1931Ca -0.03 -0.38 -0.07 0.00 -1.23 0.00 0.00 66.70 64.99 2b0h h VAL 1931Cb 0.35 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 2b0h h VAL 1931CO 0.05 0.10 -0.09 0.74 -1.23 0.00 0.00 177.57 177.14 2b0h h THR 1932N 0.00 1.29 0.00 7.19 2.02 -1.30 -1.85 112.91 120.26 2b0h h THR 1932Ca -0.00 -1.13 -0.16 0.00 0.77 0.00 0.00 66.41 65.89 2b0h h THR 1932Cb 0.21 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 2b0h h THR 1932CO 0.01 0.36 -0.75 0.11 0.37 0.00 0.00 175.52 175.62 2b0h h LYS 1933N 0.28 0.00 -0.27 6.66 1.79 -0.79 -1.58 116.57 122.66 2b0h h LYS 1933Ca 0.06 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2b0h h LYS 1933Cb 0.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 2b0h h LYS 1933CO 0.03 0.75 0.16 0.00 -1.08 0.00 0.00 179.45 179.31 2b0h h ALA 1934N 1.25 0.34 -0.19 3.86 0.00 -0.18 0.21 119.26 124.54 2b0h h ALA 1934Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2b0h h ALA 1934Cb 1.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2b0h h ALA 1934CO 0.10 -0.22 -0.25 0.78 0.00 0.00 0.00 179.25 179.66 2b0h h GLY 1935N 0.33 0.38 0.79 0.00 0.00 -1.24 -0.05 103.07 103.28 2b0h h GLY 1935Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2b0h h GLY 1935CO -0.05 0.27 -0.11 0.00 0.00 0.00 0.00 176.54 176.66 2b0h h ALA 1936N 1.43 -0.31 -0.11 3.60 0.00 -0.71 -2.41 119.26 120.75 2b0h h ALA 1936Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2b0h h ALA 1936Cb 0.61 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2b0h h ALA 1936CO 0.04 -0.57 -0.16 1.25 0.00 0.00 0.00 179.25 179.82 2b0h h LEU 1937N -0.53 0.16 -1.12 0.00 5.85 -0.53 -1.28 115.31 117.86 2b0h h LEU 1937Ca -0.03 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2b0h h LEU 1937Cb 0.40 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2b0h h LEU 1937CO 0.05 0.34 0.60 -0.61 -0.34 0.00 0.00 178.44 178.48 2b0h h GLN 1938N 0.16 1.00 -0.00 1.25 4.15 -0.80 -0.01 115.11 120.84 2b0h h GLN 1938Ca 0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2b0h h GLN 1938Cb 0.38 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2b0h h GLN 1938CO 0.02 0.66 -0.21 0.00 -1.93 0.00 0.00 178.83 177.38 2b0h n SER 1940N -0.92 -0.25 0.26 0.00 3.41 -0.04 -4.96 113.62 111.12 2b0h n SER 1940Ca 0.12 -2.64 0.11 0.00 -0.26 0.00 0.00 58.87 56.21 2b0h n SER 1940Cb 0.32 -0.44 0.69 0.00 -0.26 0.00 0.00 64.21 64.51 2b0h n SER 1940CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2b0h h PRO 1941N 4.47 0.00 -0.19 4.33 0.11 -1.74 -2.29 132.00 136.68 2b0h h PRO 1941Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2b0h h PRO 1941Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2b0h h PRO 1941CO 0.42 0.13 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 2b0h n SER 1942N -3.74 1.82 -4.36 -2.05 3.41 -1.26 -4.74 113.62 102.70 2b0h n SER 1942Ca -0.02 -1.74 -0.45 0.00 -0.26 0.00 0.00 58.87 56.40 2b0h n SER 1942Cb 0.24 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 2b0h n SER 1942CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2b0h s ASP 1943N -1.54 6.14 0.31 4.04 1.01 -0.86 -4.91 116.67 120.86 2b0h s ASP 1943Ca 0.32 -1.49 0.07 0.00 0.71 0.00 0.00 52.55 52.16 2b0h s ASP 1943Cb 0.18 -2.18 0.50 0.00 1.01 0.00 0.00 42.92 42.42 2b0h s ASP 1943CO 0.26 -0.71 1.73 1.62 0.21 0.00 0.00 175.17 178.28 2b0h h VAL 1944N 5.81 1.29 -0.34 -1.27 3.04 -1.87 -2.96 116.25 119.96 2b0h h VAL 1944Ca -0.29 -1.42 0.01 0.00 -1.01 0.00 0.00 66.70 63.99 2b0h h VAL 1944Cb 1.11 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.99 2b0h h VAL 1944CO 0.93 0.43 0.20 1.88 -1.01 0.00 0.00 177.57 179.99 2b0h h TYR 1945N 0.20 0.37 -0.13 3.17 0.05 -1.97 0.16 116.97 118.84 2b0h h TYR 1945Ca 0.02 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 2b0h h TYR 1945Cb 0.76 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 2b0h h TYR 1945CO 0.01 0.22 -0.21 1.15 -1.05 0.00 0.00 178.16 178.29 2b0h h THR 1946N 0.41 1.21 -0.18 -2.88 2.02 -1.91 -2.58 112.91 109.01 2b0h h THR 1946Ca 0.13 -0.97 -0.13 0.00 0.77 0.00 0.00 66.41 66.22 2b0h h THR 1946Cb -0.00 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2b0h h THR 1946CO -0.06 0.29 -0.40 0.50 0.37 0.00 0.00 175.52 176.22 2b0h h LYS 1947N 0.20 0.58 -0.25 6.66 3.64 -1.12 -3.06 116.57 123.22 2b0h h LYS 1947Ca 0.04 -0.39 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 2b0h h LYS 1947Cb 0.48 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 2b0h h LYS 1947CO 0.03 1.01 -0.13 0.87 -2.27 0.00 0.00 179.45 178.96 2b0h h LYS 1948N 0.24 -0.09 -0.77 1.90 1.79 -0.35 -0.90 116.57 118.39 2b0h h LYS 1948Ca -0.00 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2b0h h LYS 1948Cb 1.01 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.61 2b0h h LYS 1948CO 0.09 -0.06 0.43 0.93 -1.08 0.00 0.00 179.45 179.75 2b0h h GLU 1949N -0.10 0.71 -0.21 3.15 5.08 -1.53 -0.98 114.58 120.70 2b0h h GLU 1949Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2b0h h GLU 1949Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2b0h h GLU 1949CO -0.31 0.47 0.09 1.25 -1.00 0.00 0.00 179.01 179.51 2b0h h LEU 1950N 0.73 0.29 -0.33 1.33 6.46 -1.20 0.18 115.31 122.78 2b0h h LEU 1950Ca 0.37 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.99 2b0h h LEU 1950Cb 0.33 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2b0h h LEU 1950CO -0.24 0.37 0.16 0.40 -0.62 0.00 0.00 178.44 178.52 2b0h h ILE 1951N 0.19 0.98 -0.09 4.05 5.03 -0.62 -0.77 117.51 126.29 2b0h h ILE 1951Ca 0.07 -0.12 -0.06 0.00 -0.12 0.00 0.00 64.86 64.63 2b0h h ILE 1951Cb 0.17 0.61 -0.01 0.00 -3.03 0.00 0.00 36.82 34.56 2b0h h ILE 1951CO -0.01 0.06 -0.23 -0.33 -0.68 0.00 0.00 178.15 176.96 2b0h h GLU 1952N 0.34 0.15 -0.37 2.37 4.39 -0.95 -2.53 114.58 117.96 2b0h h GLU 1952Ca 0.14 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 2b0h h GLU 1952Cb 0.06 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2b0h h GLU 1952CO -0.10 0.38 -0.39 0.00 -1.16 0.00 0.00 179.01 177.73 2b0h h ALA 1954N 0.80 0.36 0.00 0.00 0.00 -0.86 -2.68 119.26 116.88 2b0h h ALA 1954Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2b0h h ALA 1954Cb 0.98 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2b0h h ALA 1954CO 0.10 0.45 -0.24 0.07 0.00 0.00 0.00 179.25 179.63 2b0h h ARG 1955N 0.39 0.00 0.00 0.00 0.11 -1.51 0.54 114.38 113.91 2b0h h ARG 1955Ca 0.02 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.00 2b0h h ARG 1955Cb 0.98 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 2b0h h ARG 1955CO 0.09 0.24 -0.58 0.07 0.10 0.00 0.00 179.97 179.89 2b0h h ARG 1956N 0.00 0.00 0.00 0.08 0.11 -1.39 -3.17 114.38 110.01 2b0h h ARG 1956Ca -0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 2b0h h ARG 1956Cb 0.67 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.71 2b0h h ARG 1956CO 0.03 0.42 -1.52 -0.39 0.10 0.00 0.00 179.97 178.61 2b0h h VAL 1957N 0.00 0.77 -0.11 0.08 -1.51 -1.11 -3.34 116.25 111.03 2b0h h VAL 1957Ca -0.02 -2.47 -0.03 0.00 -1.23 0.00 0.00 66.70 62.95 2b0h h VAL 1957Cb 1.36 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 32.82 2b0h h VAL 1957CO 0.06 0.44 -0.06 0.77 -1.23 0.00 0.00 177.57 177.54 2b0h h SER 1958N 0.00 0.14 -0.71 4.19 4.64 -0.94 0.88 113.55 121.75 2b0h h SER 1958Ca -0.21 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 2b0h h SER 1958Cb 1.82 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.84 2b0h h SER 1958CO 0.07 0.23 0.41 -0.33 -0.87 0.00 0.00 176.83 176.35 2b0h h GLU 1959N 0.15 0.97 0.00 4.77 5.08 -1.67 -2.87 114.58 121.01 2b0h h GLU 1959Ca 0.04 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2b0h h GLU 1959Cb 0.22 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2b0h h GLU 1959CO 0.01 0.71 -0.58 0.87 -1.00 0.00 0.00 179.01 179.02 2b0h h LYS 1960N 0.97 0.00 -0.17 2.33 1.57 -1.03 -2.32 116.57 117.92 2b0h h LYS 1960Ca 0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2b0h h LYS 1960Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2b0h h LYS 1960CO -0.05 0.58 -0.38 -0.39 -0.57 0.00 0.00 179.45 178.65 2b0h h VAL 1961N 0.00 1.30 0.00 0.50 -1.51 -1.01 -2.38 116.25 113.14 2b0h h VAL 1961Ca -0.01 -1.49 -0.05 0.00 -1.23 0.00 0.00 66.70 63.93 2b0h h VAL 1961Cb 1.30 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 2b0h h VAL 1961CO 0.08 0.45 -0.25 -1.28 -1.23 0.00 0.00 177.57 175.34 2b0h h SER 1962N 0.31 0.00 0.75 4.19 0.87 -1.23 -2.26 113.55 116.18 2b0h h SER 1962Ca 0.03 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2b0h h SER 1962Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2b0h h SER 1962CO 0.06 0.25 -0.55 0.45 -0.53 0.00 0.00 176.83 176.51 2b0h h HIS 1963N 0.00 0.00 -0.27 2.24 -0.00 -0.91 -1.17 115.15 115.04 2b0h h HIS 1963Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2b0h h HIS 1963Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 2b0h h HIS 1963CO 0.00 0.55 -0.04 0.28 -0.00 0.00 0.00 177.93 178.72 2b0h h VAL 1964N 0.00 1.27 -0.15 2.45 2.07 -1.20 -2.05 116.25 118.65 2b0h h VAL 1964Ca -0.01 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.53 2b0h h VAL 1964Cb 1.08 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 2b0h h VAL 1964CO 0.07 0.32 -0.17 -0.07 0.02 0.00 0.00 177.57 177.74 2b0h h LEU 1965N 0.27 -0.54 -0.32 2.57 3.38 -1.13 -1.40 115.31 118.14 2b0h h LEU 1965Ca 0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2b0h h LEU 1965Cb 0.50 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2b0h h LEU 1965CO 0.02 -0.22 0.17 0.00 0.09 0.00 0.00 178.44 178.50 2b0h h ALA 1966N 0.84 0.41 -0.75 1.53 0.00 -1.23 -1.95 119.26 118.10 2b0h h ALA 1966Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1966Cb 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2b0h h ALA 1966CO -0.27 -0.06 0.50 0.00 0.00 0.00 0.00 179.25 179.42 2b0h h ALA 1967N 1.04 0.96 -0.43 0.00 0.00 -1.08 -2.34 119.26 117.41 2b0h h ALA 1967Ca 0.11 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2b0h h ALA 1967Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2b0h h ALA 1967CO -0.02 0.35 -0.31 -0.07 0.00 0.00 0.00 179.25 179.21 2b0h h LEU 1968N 1.00 1.01 0.00 0.00 3.38 -1.11 -2.83 115.31 116.77 2b0h h LEU 1968Ca 0.28 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2b0h h LEU 1968Cb -0.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.38 2b0h h LEU 1968CO -0.07 1.23 0.00 0.00 0.09 0.00 0.00 178.44 179.69 2b0h n GLN 1969N -4.08 0.45 0.00 1.13 6.02 -0.75 -2.77 117.38 117.38 2b0h n GLN 1969Ca -0.01 0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.11 2b0h n GLN 1969Cb 0.51 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 30.78 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h n ALA 1970N -1.21 2.60 -0.10 -1.58 0.00 -0.91 -3.77 120.51 115.53 2b0h n ALA 1970Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 2b0h n ALA 1970Cb 0.16 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.35 2b0h n ALA 1970CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2b0h h GLY 1971N 5.45 0.39 -7.49 0.00 0.00 -1.72 -3.10 103.07 96.61 2b0h h GLY 1971Ca 0.00 0.01 -0.75 0.00 0.00 0.00 0.00 47.33 46.59 2b0h h GLY 1971CO 0.00 -0.06 0.13 -1.31 0.00 0.00 0.00 176.54 175.31 2b0h s ASN 1972N -5.28 6.58 0.00 0.19 0.01 -1.25 -5.00 114.94 110.19 2b0h s ASN 1972Ca -0.13 -3.52 0.25 0.00 -0.71 0.00 0.00 52.86 48.75 2b0h s ASN 1972Cb 0.13 -2.06 0.33 0.00 0.41 0.00 0.00 41.25 40.06 2b0h s ASN 1972CO 0.71 -0.28 1.34 -1.14 -1.51 0.00 0.00 177.10 176.22