#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h n ILE 1838N 0.00 0.00 -3.64 -0.61 3.06 -1.26 -4.40 119.36 112.50 2b0h n ILE 1838Ca 0.00 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.22 2b0h n ILE 1838Cb 0.00 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.11 2b0h n ILE 1838CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2b0h s ASP 1839N -4.00 -0.38 0.00 9.51 2.15 -1.26 -5.05 116.67 117.65 2b0h s ASP 1839Ca 0.00 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.61 2b0h s ASP 1839Cb 0.00 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.63 2b0h s ASP 1839CO 0.00 -0.10 1.85 -0.81 -0.17 0.00 0.00 175.17 175.94 2b0h n PRO 1840N 3.12 0.99 -2.00 4.34 -0.04 -1.26 -4.89 135.00 135.26 2b0h n PRO 1840Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.01 2b0h n PRO 1840Cb 0.57 -1.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.15 2b0h n PRO 1840CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2b0h s PHE 1841N 0.02 2.33 0.04 0.54 -0.71 -1.26 -5.09 117.98 113.84 2b0h s PHE 1841Ca 0.00 0.47 0.08 0.00 -1.04 0.00 0.00 56.93 56.44 2b0h s PHE 1841Cb 0.00 -3.67 -0.03 0.00 -1.21 0.00 0.00 43.02 38.11 2b0h s PHE 1841CO 0.00 -2.06 -0.24 -0.08 -1.34 0.00 0.00 175.22 171.50 2b0h s THR 1842N -3.63 2.37 0.36 -4.49 -1.32 -1.26 -5.03 115.64 102.65 2b0h s THR 1842Ca 0.67 -1.31 0.09 0.00 -1.21 0.00 0.00 61.69 59.93 2b0h s THR 1842Cb -0.08 -1.95 0.12 0.00 -1.51 0.00 0.00 72.50 69.08 2b0h s THR 1842CO 0.50 0.36 1.85 0.00 -2.21 0.00 0.00 174.62 175.12 2b0h h MET 1843N 4.72 0.19 0.00 7.08 -0.00 -2.01 -3.47 114.93 121.45 2b0h h MET 1843Ca -0.47 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.17 2b0h h MET 1843Cb 1.15 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 2b0h h MET 1843CO 0.45 0.43 0.00 0.41 -0.00 0.00 0.00 176.91 178.20 2b0h n GLY 1844N -0.65 2.33 3.24 -3.00 0.00 -1.26 -4.07 105.19 101.77 2b0h n GLY 1844Ca -0.01 0.36 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 2b0h n GLY 1844CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b0h s ASP 1845N -4.00 4.50 -0.00 1.61 1.01 -1.26 -5.03 116.67 113.50 2b0h s ASP 1845Ca 0.00 -0.81 -0.01 0.00 0.71 0.00 0.00 52.55 52.44 2b0h s ASP 1845Cb 0.00 -1.72 -0.00 0.00 1.01 0.00 0.00 42.92 42.21 2b0h s ASP 1845CO 0.00 -0.14 0.40 -0.65 0.21 0.00 0.00 175.17 175.00 2b0h h PRO 1846N 8.07 -0.03 0.00 8.23 0.11 -1.81 -3.48 132.00 143.10 2b0h h PRO 1846Ca -0.33 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.36 2b0h h PRO 1846Cb 1.11 0.01 0.18 0.00 0.11 0.00 0.00 31.00 32.41 2b0h h PRO 1846CO 0.58 -0.02 0.38 -0.85 -0.21 0.00 0.00 178.00 177.88 2b0h n GLU 1847N -2.17 -1.60 0.00 1.05 0.28 -1.24 -4.06 120.64 112.90 2b0h n GLU 1847Ca -0.00 -2.02 0.00 0.00 -0.16 0.00 0.00 57.16 54.98 2b0h n GLU 1847Cb 0.01 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.46 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b0h n GLY 1848N -3.91 2.24 0.00 -1.84 0.00 -1.26 -4.67 105.19 95.75 2b0h n GLY 1848Ca 0.17 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 2.81 0.00 0.06 1.61 7.64 -1.26 -3.38 113.62 121.10 2b0h n SER 1849Ca 0.00 -0.20 0.18 0.00 1.01 0.00 0.00 58.87 59.86 2b0h n SER 1849Cb 0.00 -0.22 0.69 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.45 1.43 3.57 -1.82 -0.98 116.94 118.68 2b0h h PHE 1850Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2b0h h PHE 1850Cb 0.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2b0h h PHE 1850CO 0.00 0.00 0.30 -0.39 -2.23 0.00 0.00 178.31 175.99 2b0h h VAL 1851N 0.00 0.95 0.00 1.41 -1.51 -1.91 0.27 116.25 115.46 2b0h h VAL 1851Ca 0.19 -0.12 -0.03 0.00 -1.23 0.00 0.00 66.70 65.52 2b0h h VAL 1851Cb 0.79 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 2b0h h VAL 1851CO -0.00 0.06 -0.12 -0.78 -1.23 0.00 0.00 177.57 175.50 2b0h h ASP 1852N 0.34 0.10 0.02 4.19 3.58 -1.46 -2.41 116.42 120.78 2b0h h ASP 1852Ca 0.20 -0.81 -0.08 0.00 0.42 0.00 0.00 57.03 56.75 2b0h h ASP 1852Cb 0.35 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2b0h h ASP 1852CO -0.05 0.90 -0.24 1.88 -2.88 0.00 0.00 179.24 178.85 2b0h h TYR 1853N -0.68 0.42 0.87 0.28 0.05 -1.46 -0.74 116.97 115.70 2b0h h TYR 1853Ca -0.02 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.64 2b0h h TYR 1853Cb 0.92 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2b0h h TYR 1853CO 0.20 0.60 -0.49 0.37 -1.05 0.00 0.00 178.16 177.79 2b0h h GLN 1854N 0.34 -1.21 -0.67 4.88 4.15 -0.54 -3.03 115.11 119.02 2b0h h GLN 1854Ca 0.05 0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2b0h h GLN 1854Cb 0.61 0.28 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 2b0h h GLN 1854CO 0.04 -0.81 0.29 1.15 -1.93 0.00 0.00 178.83 177.57 2b0h h THR 1855N -1.26 1.23 -0.03 2.39 2.02 -1.16 -2.54 112.91 113.56 2b0h h THR 1855Ca -0.12 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2b0h h THR 1855Cb 0.99 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2b0h h THR 1855CO 0.15 0.28 0.00 0.00 0.37 0.00 0.00 175.52 176.32 2b0h h THR 1856N 0.96 1.25 0.00 3.16 1.03 -1.18 -2.84 112.91 115.29 2b0h h THR 1856Ca 0.23 -0.74 -0.06 0.00 -0.01 0.00 0.00 66.41 65.82 2b0h h THR 1856Cb 0.15 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 68.92 2b0h h THR 1856CO -0.02 0.20 -0.49 0.00 -0.01 0.00 0.00 175.52 175.19 2b0h h MET 1857N -0.25 0.00 -0.01 0.00 -0.00 -1.49 -2.92 114.93 110.26 2b0h h MET 1857Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.59 2b0h h MET 1857Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.90 2b0h h MET 1857CO 0.00 0.24 -0.54 -0.39 -0.00 0.00 0.00 176.91 176.23 2b0h h VAL 1858N 0.00 1.38 -0.53 -0.10 -1.51 -1.48 -0.24 116.25 113.77 2b0h h VAL 1858Ca -0.02 -1.84 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 2b0h h VAL 1858Cb 1.23 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 32.34 2b0h h VAL 1858CO 0.03 0.53 0.28 0.03 -1.23 0.00 0.00 177.57 177.22 2b0h h ARG 1859N 0.03 0.74 -0.73 5.19 2.47 -1.32 -1.40 114.38 119.36 2b0h h ARG 1859Ca -0.00 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.60 2b0h h ARG 1859Cb 0.96 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 2b0h h ARG 1859CO 0.07 0.58 0.34 1.15 0.56 0.00 0.00 179.97 182.67 2b0h h THR 1860N 0.71 1.24 -0.34 2.04 2.02 -1.25 0.16 112.91 117.49 2b0h h THR 1860Ca 0.19 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2b0h h THR 1860Cb 0.06 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2b0h h THR 1860CO -0.03 0.29 0.16 0.00 0.37 0.00 0.00 175.52 176.31 2b0h h ALA 1861N 1.17 0.44 -0.44 6.16 0.00 -0.82 0.35 119.26 126.11 2b0h h ALA 1861Ca 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2b0h h ALA 1861Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2b0h h ALA 1861CO -0.03 -0.00 0.02 0.87 0.00 0.00 0.00 179.25 180.11 2b0h h LYS 1862N 0.41 0.70 -0.25 0.00 1.57 -0.96 0.10 116.57 118.15 2b0h h LYS 1862Ca 0.12 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 2b0h h LYS 1862Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2b0h h LYS 1862CO -0.01 0.70 -0.48 0.00 -0.57 0.00 0.00 179.45 179.09 2b0h h ALA 1863N 1.36 0.70 -0.51 3.86 0.00 -0.22 -2.67 119.26 121.78 2b0h h ALA 1863Ca 0.14 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2b0h h ALA 1863Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2b0h h ALA 1863CO 0.01 0.67 0.05 0.82 0.00 0.00 0.00 179.25 180.80 2b0h h ILE 1864N 0.52 1.26 -0.34 0.00 2.04 0.07 -2.86 117.51 118.19 2b0h h ILE 1864Ca 0.03 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 64.94 2b0h h ILE 1864Cb 1.02 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2b0h h ILE 1864CO 0.10 0.36 0.01 0.00 0.00 0.00 0.00 178.15 178.61 2b0h h ALA 1865N 0.96 0.32 -0.29 1.87 0.00 -0.80 0.85 119.26 122.17 2b0h h ALA 1865Ca 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 2b0h h ALA 1865Cb 0.45 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2b0h h ALA 1865CO 0.02 -0.39 -0.08 -0.24 0.00 0.00 0.00 179.25 178.55 2b0h h VAL 1866N 0.11 1.21 -0.03 0.00 3.04 -1.48 -0.67 116.25 118.43 2b0h h VAL 1866Ca 0.17 -0.91 -0.01 0.00 -1.01 0.00 0.00 66.70 64.95 2b0h h VAL 1866Cb 0.22 1.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2b0h h VAL 1866CO -0.27 0.30 0.00 0.74 -1.01 0.00 0.00 177.57 177.33 2b0h h THR 1867N 0.45 1.25 -0.19 3.17 2.02 -0.99 0.20 112.91 118.81 2b0h h THR 1867Ca 0.09 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2b0h h THR 1867Cb 0.42 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2b0h h THR 1867CO 0.02 0.20 -0.16 -0.37 0.37 0.00 0.00 175.52 175.58 2b0h h VAL 1868N -0.24 1.21 0.05 3.16 -1.51 -0.67 0.20 116.25 118.45 2b0h h VAL 1868Ca 0.01 -0.94 -0.24 0.00 -1.23 0.00 0.00 66.70 64.30 2b0h h VAL 1868Cb 0.32 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2b0h h VAL 1868CO 0.00 0.29 -1.05 -0.61 -1.23 0.00 0.00 177.57 174.97 2b0h h GLN 1869N 0.29 0.32 -0.03 5.19 5.75 -1.01 -2.92 115.11 122.70 2b0h h GLN 1869Ca 0.06 -0.41 -0.13 0.00 -0.15 0.00 0.00 58.65 58.01 2b0h h GLN 1869Cb 0.46 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2b0h h GLN 1869CO 0.03 1.13 -0.60 0.93 -2.65 0.00 0.00 178.83 177.66 2b0h h GLU 1870N 0.14 0.09 -0.32 1.69 4.39 -0.16 -2.50 114.58 117.92 2b0h h GLU 1870Ca -0.10 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.59 2b0h h GLU 1870Cb 1.73 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.34 2b0h h GLU 1870CO 0.17 0.67 0.01 0.52 -1.16 0.00 0.00 179.01 179.22 2b0h h MET 1871N 0.07 0.10 0.00 2.33 2.86 -0.43 0.80 114.93 120.66 2b0h h MET 1871Ca -0.01 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 2b0h h MET 1871Cb 1.08 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2b0h h MET 1871CO 0.08 0.07 -0.58 -0.39 1.06 0.00 0.00 176.91 177.15 2b0h h VAL 1872N 0.11 1.31 -0.19 -2.22 -1.51 -1.52 -0.60 116.25 111.63 2b0h h VAL 1872Ca 0.15 -2.05 -0.12 0.00 -1.23 0.00 0.00 66.70 63.46 2b0h h VAL 1872Cb 0.20 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2b0h h VAL 1872CO -0.25 0.57 -0.34 0.74 -1.23 0.00 0.00 177.57 177.06 2b0h h THR 1873N 0.00 1.34 -0.08 7.19 2.02 -0.88 -3.31 112.91 119.18 2b0h h THR 1873Ca -0.01 -1.57 -0.05 0.00 0.77 0.00 0.00 66.41 65.56 2b0h h THR 1873Cb 1.09 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2b0h h THR 1873CO 0.08 0.48 -0.13 0.11 0.37 0.00 0.00 175.52 176.43 2b0h h LYS 1874N 0.23 0.22 -0.11 6.66 1.79 0.67 -3.27 116.57 122.77 2b0h h LYS 1874Ca 0.01 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2b0h h LYS 1874Cb 0.93 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2b0h h LYS 1874CO 0.08 0.71 0.29 0.66 -1.08 0.00 0.00 179.45 180.11 2b0h h SER 1875N -0.24 0.00 0.87 0.86 4.64 -1.08 1.19 113.55 119.78 2b0h h SER 1875Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2b0h h SER 1875Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2b0h h SER 1875CO 0.03 0.00 -0.19 0.78 -0.87 0.00 0.00 176.83 176.58 2b0h h ASN 1876N 0.00 0.00 0.00 4.97 2.35 -1.65 -3.36 115.58 117.89 2b0h h ASN 1876Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2b0h h ASN 1876Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2b0h h ASN 1876CO -0.00 0.19 -0.38 0.35 -1.65 0.00 0.00 177.43 175.94 2b0h n THR 1877N -3.38 0.00 -3.67 2.81 -2.24 0.58 -5.06 114.28 103.32 2b0h n THR 1877Ca -0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2b0h n THR 1877Cb 0.39 -0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.34 2.97 0.00 3.42 0.01 0.38 -4.95 113.70 114.19 2b0h s SER 1878Ca 0.00 -0.93 0.26 0.00 1.31 0.00 0.00 55.95 56.59 2b0h s SER 1878Cb 0.00 -0.48 0.60 0.00 0.21 0.00 0.00 66.02 66.34 2b0h s SER 1878CO 0.00 -0.35 1.47 -0.81 0.41 0.00 0.00 173.24 173.96 2b0h n PRO 1879N 5.13 0.37 0.09 12.44 -0.04 -1.26 -3.26 135.00 148.47 2b0h n PRO 1879Ca -0.07 -0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.00 2b0h n PRO 1879Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2b0h n PRO 1879CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2b0h h GLU 1880N 0.54 0.37 0.00 0.54 4.39 -1.92 -3.16 114.58 115.34 2b0h h GLU 1880Ca 0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.17 2b0h h GLU 1880Cb 0.50 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2b0h h GLU 1880CO 0.00 1.21 0.00 0.39 -1.16 0.00 0.00 179.01 179.45 2b0h n GLU 1881N -3.65 0.19 0.01 2.33 -0.58 -1.26 -2.51 120.64 115.18 2b0h n GLU 1881Ca -0.09 0.49 0.14 0.00 -0.42 0.00 0.00 57.16 57.27 2b0h n GLU 1881Cb 0.96 -1.91 0.58 0.00 -0.57 0.00 0.00 31.44 30.50 2b0h n GLU 1881CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2b0h n LEU 1882N -2.27 0.11 0.31 -4.62 4.77 -1.20 -3.20 117.00 110.91 2b0h n LEU 1882Ca 0.01 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2b0h n LEU 1882Cb 0.18 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2b0h n LEU 1882CO 0.17 -0.04 0.38 1.23 -1.33 0.00 0.00 177.39 177.80 2b0h h GLY 1883N 4.79 -0.86 1.03 -0.72 0.00 -1.67 -1.26 103.07 104.37 2b0h h GLY 1883Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.68 2b0h h GLY 1883CO 0.00 -0.31 0.59 -0.56 0.00 0.00 0.00 176.54 176.25 2b0h h PRO 1884N -1.07 1.10 -0.57 4.80 0.13 -1.80 -2.80 132.00 131.79 2b0h h PRO 1884Ca -0.08 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2b0h h PRO 1884Cb 0.63 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.49 2b0h h PRO 1884CO 0.14 0.73 0.31 -0.07 -0.23 0.00 0.00 178.00 178.87 2b0h h LEU 1885N 1.13 0.72 -0.13 1.56 3.38 -1.57 0.21 115.31 120.60 2b0h h LEU 1885Ca 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 2b0h h LEU 1885Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2b0h h LEU 1885CO -0.10 0.61 0.05 0.00 0.09 0.00 0.00 178.44 179.09 2b0h h ALA 1886N 1.14 0.16 -0.03 1.53 0.00 -1.00 -0.28 119.26 120.78 2b0h h ALA 1886Ca 0.20 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2b0h h ALA 1886Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2b0h h ALA 1886CO -0.03 -0.24 -0.39 -0.91 0.00 0.00 0.00 179.25 177.68 2b0h h ASN 1887N 0.04 0.06 0.52 0.00 2.35 -1.37 -1.75 115.58 115.43 2b0h h ASN 1887Ca 0.04 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2b0h h ASN 1887Cb 0.18 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.54 2b0h h ASN 1887CO -0.00 0.45 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.37 2b0h h GLN 1888N 0.05 -0.67 -0.80 0.81 -0.00 -0.23 0.13 115.11 114.41 2b0h h GLN 1888Ca 0.00 0.05 0.12 0.00 -0.00 0.00 0.00 58.65 58.82 2b0h h GLN 1888Cb 0.71 0.15 -0.08 0.00 0.00 0.00 0.00 27.48 28.26 2b0h h GLN 1888CO 0.05 -0.38 0.41 1.25 0.00 0.00 0.00 178.83 180.17 2b0h h LEU 1889N -0.87 0.52 -0.58 -2.39 6.46 -0.93 0.66 115.31 118.17 2b0h h LEU 1889Ca -0.07 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2b0h h LEU 1889Cb 0.60 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 2b0h h LEU 1889CO 0.12 0.25 0.38 0.74 -0.62 0.00 0.00 178.44 179.31 2b0h h THR 1890N 0.63 1.15 -0.30 1.05 2.02 -1.14 -0.29 112.91 116.05 2b0h h THR 1890Ca 0.42 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 2b0h h THR 1890Cb 0.52 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2b0h h THR 1890CO -0.32 0.15 -0.05 0.28 0.37 0.00 0.00 175.52 175.95 2b0h h SER 1891N 0.78 0.56 -0.40 4.18 0.02 0.65 -2.23 113.55 117.11 2b0h h SER 1891Ca 0.21 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2b0h h SER 1891Cb -0.08 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2b0h h SER 1891CO -0.04 0.78 0.10 0.44 -1.14 0.00 0.00 176.83 176.96 2b0h h ASP 1892N 0.33 0.62 -0.89 3.07 5.19 -0.78 -2.60 116.42 121.37 2b0h h ASP 1892Ca 0.08 -0.23 0.06 0.00 -0.62 0.00 0.00 57.03 56.31 2b0h h ASP 1892Cb 0.53 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.81 2b0h h ASP 1892CO 0.03 0.69 0.56 0.22 -3.12 0.00 0.00 179.24 177.62 2b0h h TYR 1893N 0.51 1.04 -0.93 4.55 3.20 -1.01 0.12 116.97 124.44 2b0h h TYR 1893Ca 0.13 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.11 2b0h h TYR 1893Cb 0.32 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 2b0h h TYR 1893CO 0.02 0.54 0.60 0.78 -1.64 0.00 0.00 178.16 178.46 2b0h h GLY 1894N 1.03 1.39 0.60 1.82 0.00 -1.03 0.11 103.07 106.99 2b0h h GLY 1894Ca 0.38 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 2b0h h GLY 1894CO -0.16 0.25 -0.16 -0.09 0.00 0.00 0.00 176.54 176.38 2b0h h ARG 1895N 1.00 0.23 0.21 4.80 2.43 -0.95 -3.14 114.38 118.95 2b0h h ARG 1895Ca 0.42 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2b0h h ARG 1895Cb 0.31 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2b0h h ARG 1895CO -0.18 0.75 -0.31 1.25 -1.51 0.00 0.00 179.97 179.98 2b0h h LEU 1896N -0.27 -0.87 -2.05 3.80 5.85 -0.07 -1.30 115.31 120.40 2b0h h LEU 1896Ca -0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2b0h h LEU 1896Cb 0.76 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2b0h h LEU 1896CO 0.03 -0.42 -0.09 0.00 -0.34 0.00 0.00 178.44 177.63 2b0h h ALA 1897N 0.03 1.28 0.06 1.25 0.00 -0.93 -2.15 119.26 118.80 2b0h h ALA 1897Ca 0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 2b0h h ALA 1897Cb 0.58 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2b0h h ALA 1897CO -0.13 0.11 -1.31 0.77 0.00 0.00 0.00 179.25 178.70 2b0h h SER 1898N 0.00 0.21 0.66 0.00 0.02 -1.37 -3.14 113.55 109.94 2b0h h SER 1898Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2b0h h SER 1898Cb 0.27 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2b0h h SER 1898CO 0.01 1.22 0.00 0.00 -1.14 0.00 0.00 176.83 176.92 2b0h n GLN 1899N -3.38 0.04 0.09 3.45 6.02 -0.54 -2.88 117.38 120.17 2b0h n GLN 1899Ca -0.09 0.14 -0.05 0.00 -0.01 0.00 0.00 57.00 56.99 2b0h n GLN 1899Cb 1.00 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.89 2b0h n GLN 1899CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h h ALA 1900N 2.74 0.86 0.41 -1.58 0.00 -1.44 -2.88 119.26 117.37 2b0h h ALA 1900Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2b0h h ALA 1900Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2b0h h ALA 1900CO 0.00 0.72 -0.20 -0.22 0.00 0.00 0.00 179.25 179.55 2b0h h LYS 1901N 0.17 -0.53 0.00 0.00 1.63 -1.69 -1.74 116.57 114.41 2b0h h LYS 1901Ca -0.00 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2b0h h LYS 1901Cb 1.09 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2b0h h LYS 1901CO 0.09 -0.23 -0.09 -1.00 -3.45 0.00 0.00 179.45 174.77 2b0h h PRO 1902N -0.95 0.00 0.00 1.90 0.13 -1.74 -1.41 132.00 129.93 2b0h h PRO 1902Ca -0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.92 2b0h h PRO 1902Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2b0h h PRO 1902CO 0.09 0.09 -0.72 0.00 -0.23 0.00 0.00 178.00 177.24 2b0h h ALA 1903N 1.91 0.81 0.00 -0.56 0.00 -1.47 -2.49 119.26 117.46 2b0h h ALA 1903Ca -0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 2b0h h ALA 1903Cb 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2b0h h ALA 1903CO 0.01 0.90 -0.67 0.00 0.00 0.00 0.00 179.25 179.49 2b0h h ALA 1904N 1.28 0.72 -0.01 0.00 0.00 -0.32 -2.21 119.26 118.73 2b0h h ALA 1904Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2b0h h ALA 1904Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2b0h h ALA 1904CO 0.09 0.83 -0.24 1.33 0.00 0.00 0.00 179.25 181.27 2b0h n VAL 1905N -3.49 0.00 -0.14 0.00 0.24 -1.04 -3.56 118.33 110.34 2b0h n VAL 1905Ca 0.00 -0.19 0.05 0.00 -2.04 0.00 0.00 64.34 62.17 2b0h n VAL 1905Cb 0.72 0.60 0.14 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.31 2.18 -1.86 2.33 0.00 -0.94 -4.57 120.51 117.33 2b0h n ALA 1906Ca 0.13 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.05 2b0h n ALA 1906Cb 0.38 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.99 3.65 0.16 0.00 0.00 -0.86 -3.68 121.76 120.04 2b0h s ALA 1907Ca 0.21 1.37 0.16 0.00 0.00 0.00 0.00 51.96 53.70 2b0h s ALA 1907Cb 0.11 -3.57 0.49 0.00 0.00 0.00 0.00 23.12 20.15 2b0h s ALA 1907CO 0.15 -0.79 1.65 0.93 0.00 0.00 0.00 175.76 177.70 2b0h h GLU 1908N 4.97 0.00 -4.47 0.00 5.08 -1.91 -3.36 114.58 114.90 2b0h h GLU 1908Ca -0.46 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.71 2b0h h GLU 1908Cb 1.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 2b0h h GLU 1908CO 0.78 0.48 -0.69 -0.80 -1.00 0.00 0.00 179.01 177.78 2b0h s ASN 1909N -6.56 0.84 0.11 1.42 0.01 -1.26 -4.97 114.94 104.54 2b0h s ASN 1909Ca 0.00 -0.96 -0.26 0.00 -0.71 0.00 0.00 52.86 50.93 2b0h s ASN 1909Cb 0.11 0.13 -0.08 0.00 0.41 0.00 0.00 41.25 41.82 2b0h s ASN 1909CO 0.72 -0.49 1.65 -0.08 -1.51 0.00 0.00 177.10 177.39 2b0h h GLU 1910N 3.19 -0.39 -0.75 -0.60 4.81 -1.98 -2.87 114.58 115.99 2b0h h GLU 1910Ca -0.35 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.87 2b0h h GLU 1910Cb 1.16 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2b0h h GLU 1910CO 0.63 -0.26 0.31 0.93 -0.73 0.00 0.00 179.01 179.89 2b0h h GLU 1911N -0.40 1.11 -0.18 1.92 5.08 -1.99 -2.75 114.58 117.36 2b0h h GLU 1911Ca 0.03 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2b0h h GLU 1911Cb 0.43 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2b0h h GLU 1911CO -0.13 0.89 -0.25 0.82 -1.00 0.00 0.00 179.01 179.34 2b0h h ILE 1912N 1.08 0.40 0.00 3.13 2.04 -1.84 0.29 117.51 122.62 2b0h h ILE 1912Ca 0.25 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.07 2b0h h ILE 1912Cb 0.19 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2b0h h ILE 1912CO -0.02 0.00 -0.19 1.23 0.00 0.00 0.00 178.15 179.17 2b0h h GLY 1913N -0.28 0.00 0.98 5.37 0.00 -1.43 -2.11 103.07 105.60 2b0h h GLY 1913Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.24 2b0h h GLY 1913CO -0.35 0.00 -0.83 0.00 0.00 0.00 0.00 176.54 175.36 2b0h h ALA 1914N 1.81 0.08 -0.40 3.60 0.00 -0.81 -3.27 119.26 120.27 2b0h h ALA 1914Ca -0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.18 2b0h h ALA 1914Cb 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2b0h h ALA 1914CO 0.02 0.51 -0.10 0.45 0.00 0.00 0.00 179.25 180.13 2b0h h HIS 1915N 0.12 0.76 0.12 0.00 3.86 -0.16 -1.88 115.15 117.96 2b0h h HIS 1915Ca -0.11 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 58.99 2b0h h HIS 1915Cb 1.52 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.75 2b0h h HIS 1915CO 0.13 0.77 -0.40 0.82 0.86 0.00 0.00 177.93 180.11 2b0h h ILE 1916N 0.64 0.18 0.00 2.45 2.04 -1.45 0.17 117.51 121.54 2b0h h ILE 1916Ca 0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 2b0h h ILE 1916Cb 0.55 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2b0h h ILE 1916CO 0.03 0.00 -0.30 0.11 0.00 0.00 0.00 178.15 177.99 2b0h h LYS 1917N -0.64 0.00 -0.39 2.37 1.57 -1.60 -2.48 116.57 115.41 2b0h h LYS 1917Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2b0h h LYS 1917Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2b0h h LYS 1917CO -0.24 0.30 0.12 1.25 -0.57 0.00 0.00 179.45 180.32 2b0h h HIS 1918N 0.00 0.62 0.00 -1.35 2.76 -0.45 -2.19 115.15 114.54 2b0h h HIS 1918Ca -0.00 -0.06 -0.16 0.00 -2.20 0.00 0.00 60.37 57.94 2b0h h HIS 1918Cb 0.66 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 2b0h h HIS 1918CO 0.00 0.58 -0.77 0.00 -1.30 0.00 0.00 177.93 176.44 2b0h h ARG 1919N 0.48 0.00 0.00 5.26 2.47 -0.32 -2.21 114.38 120.06 2b0h h ARG 1919Ca 0.12 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.72 2b0h h ARG 1919Cb 0.25 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2b0h h ARG 1919CO -0.00 0.77 -0.59 -0.39 0.56 0.00 0.00 179.97 180.31 2b0h h VAL 1920N 0.00 1.05 -0.16 2.04 -1.51 -1.46 -2.59 116.25 113.63 2b0h h VAL 1920Ca -0.01 -2.38 -0.22 0.00 -1.23 0.00 0.00 66.70 62.86 2b0h h VAL 1920Cb 1.43 2.44 0.01 0.00 -2.13 0.00 0.00 31.29 33.04 2b0h h VAL 1920CO 0.10 0.58 -0.76 -0.61 -1.23 0.00 0.00 177.57 175.65 2b0h h GLN 1921N 0.00 0.80 0.00 5.19 -0.00 -1.18 -0.43 115.11 119.48 2b0h h GLN 1921Ca -0.01 -0.64 -0.11 0.00 -0.00 0.00 0.00 58.65 57.89 2b0h h GLN 1921Cb 1.40 0.13 -0.02 0.00 0.00 0.00 0.00 27.48 28.99 2b0h h GLN 1921CO 0.08 1.25 -0.51 1.05 0.00 0.00 0.00 178.83 180.70 2b0h h GLU 1922N 0.53 0.00 -0.22 1.69 4.11 -1.45 -2.56 114.58 116.68 2b0h h GLU 1922Ca -0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.20 2b0h h GLU 1922Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2b0h h GLU 1922CO 0.16 0.51 -0.57 -0.07 0.07 0.00 0.00 179.01 179.10 2b0h h LEU 1923N 0.00 0.78 -0.61 3.06 3.38 -1.37 -3.22 115.31 117.33 2b0h h LEU 1923Ca -0.01 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.62 2b0h h LEU 1923Cb 1.01 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2b0h h LEU 1923CO 0.07 1.18 0.25 1.23 0.09 0.00 0.00 178.44 181.26 2b0h h GLY 1924N 0.89 0.87 0.91 0.83 0.00 -0.65 0.35 103.07 106.27 2b0h h GLY 1924Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2b0h h GLY 1924CO 0.12 0.02 0.08 0.45 0.00 0.00 0.00 176.54 177.20 2b0h h HIS 1925N 0.46 0.24 -0.32 5.60 3.86 -1.61 -2.20 115.15 121.18 2b0h h HIS 1925Ca 0.30 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.41 2b0h h HIS 1925Cb 0.34 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2b0h h HIS 1925CO -0.15 0.27 -0.13 0.78 0.86 0.00 0.00 177.93 179.56 2b0h h GLY 1926N 0.14 0.71 0.95 2.45 0.00 -1.39 -2.16 103.07 103.77 2b0h h GLY 1926Ca 0.06 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2b0h h GLY 1926CO -0.01 0.57 0.16 0.00 0.00 0.00 0.00 176.54 177.26 2b0h h SER 1928N 0.36 0.74 -0.34 0.00 0.02 -1.39 -0.38 113.55 112.57 2b0h h SER 1928Ca 0.11 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 60.71 2b0h h SER 1928Cb 0.08 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 2b0h h SER 1928CO -0.02 0.82 -0.40 0.00 -1.14 0.00 0.00 176.83 176.09 2b0h h ALA 1929N 1.26 0.50 0.17 3.77 0.00 -1.12 -2.72 119.26 121.12 2b0h h ALA 1929Ca 0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2b0h h ALA 1929Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2b0h h ALA 1929CO 0.02 0.62 -0.08 1.25 0.00 0.00 0.00 179.25 181.06 2b0h h LEU 1930N 0.66 -0.19 -1.82 0.00 6.46 -0.11 -1.87 115.31 118.45 2b0h h LEU 1930Ca 0.05 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2b0h h LEU 1930Cb 1.00 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 2b0h h LEU 1930CO 0.10 -0.05 -0.13 -0.37 -0.62 0.00 0.00 178.44 177.36 2b0h h VAL 1931N -0.32 0.94 -0.13 1.05 -1.51 -1.14 0.33 116.25 115.47 2b0h h VAL 1931Ca -0.02 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 2b0h h VAL 1931Cb 0.25 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2b0h h VAL 1931CO 0.04 0.13 0.02 0.74 -1.23 0.00 0.00 177.57 177.27 2b0h h THR 1932N 0.00 1.22 -0.22 7.19 2.02 -1.14 -0.91 112.91 121.06 2b0h h THR 1932Ca -0.00 -0.69 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 2b0h h THR 1932Cb 0.26 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2b0h h THR 1932CO 0.02 0.20 -0.42 0.11 0.37 0.00 0.00 175.52 175.80 2b0h h LYS 1933N -0.01 0.53 -0.01 6.66 1.79 -0.45 0.93 116.57 126.02 2b0h h LYS 1933Ca 0.04 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2b0h h LYS 1933Cb 0.29 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2b0h h LYS 1933CO 0.00 0.85 -0.01 0.00 -1.08 0.00 0.00 179.45 179.21 2b0h h ALA 1934N 1.11 -0.01 -0.29 3.86 0.00 -0.31 0.20 119.26 123.83 2b0h h ALA 1934Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2b0h h ALA 1934Cb 0.91 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2b0h h ALA 1934CO 0.08 -0.51 -0.25 0.78 0.00 0.00 0.00 179.25 179.35 2b0h h GLY 1935N -0.02 0.61 0.90 0.00 0.00 -1.02 -0.34 103.07 103.19 2b0h h GLY 1935Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2b0h h GLY 1935CO -0.02 0.46 0.09 0.00 0.00 0.00 0.00 176.54 177.07 2b0h h ALA 1936N 1.24 0.36 -0.02 3.60 0.00 -0.49 -1.66 119.26 122.29 2b0h h ALA 1936Ca 0.07 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2b0h h ALA 1936Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2b0h h ALA 1936CO 0.05 -0.01 -0.44 1.25 0.00 0.00 0.00 179.25 180.09 2b0h h LEU 1937N 0.28 0.06 -0.97 0.00 5.85 -0.51 -0.98 115.31 119.04 2b0h h LEU 1937Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2b0h h LEU 1937Cb 0.23 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 2b0h h LEU 1937CO -0.00 0.50 0.61 -0.61 -0.34 0.00 0.00 178.44 178.59 2b0h h GLN 1938N 0.04 1.30 0.06 1.25 4.15 -0.67 -2.18 115.11 119.07 2b0h h GLN 1938Ca 0.00 -0.10 -0.24 0.00 0.77 0.00 0.00 58.65 59.08 2b0h h GLN 1938Cb 0.81 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2b0h h GLN 1938CO 0.06 0.89 -1.10 0.00 -1.93 0.00 0.00 178.83 176.74 2b0h s SER 1940N -6.94 4.37 0.54 0.00 0.01 -0.41 -4.95 113.70 106.32 2b0h s SER 1940Ca -0.02 -3.63 0.31 0.00 1.31 0.00 0.00 55.95 53.93 2b0h s SER 1940Cb 0.09 -1.49 1.46 0.00 0.21 0.00 0.00 66.02 66.29 2b0h s SER 1940CO 0.85 -0.12 2.04 -0.65 0.41 0.00 0.00 173.24 175.77 2b0h h PRO 1941N 5.60 0.00 -0.70 12.44 0.11 -1.60 -2.50 132.00 145.35 2b0h h PRO 1941Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2b0h h PRO 1941Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2b0h h PRO 1941CO 0.67 0.08 0.00 0.43 -0.21 0.00 0.00 178.00 178.97 2b0h n SER 1942N -3.32 4.11 -4.43 -2.05 7.64 -1.26 -4.81 113.62 109.49 2b0h n SER 1942Ca -0.01 -2.15 -0.44 0.00 1.01 0.00 0.00 58.87 57.29 2b0h n SER 1942Cb 0.27 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.88 2b0h n SER 1942CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2b0h s ASP 1943N -0.96 6.16 0.32 6.43 2.15 -0.94 -4.93 116.67 124.91 2b0h s ASP 1943Ca 0.49 -1.02 0.15 0.00 0.43 0.00 0.00 52.55 52.59 2b0h s ASP 1943Cb 0.27 -2.20 0.50 0.00 -0.30 0.00 0.00 42.92 41.19 2b0h s ASP 1943CO 0.30 -0.63 1.66 1.62 -0.17 0.00 0.00 175.17 177.95 2b0h h VAL 1944N 5.74 1.14 -0.32 1.11 3.04 -1.88 -3.03 116.25 122.05 2b0h h VAL 1944Ca -0.27 -1.84 -0.03 0.00 -1.01 0.00 0.00 66.70 63.54 2b0h h VAL 1944Cb 1.11 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.43 2b0h h VAL 1944CO 0.84 0.49 0.07 1.88 -1.01 0.00 0.00 177.57 179.84 2b0h h TYR 1945N 0.00 0.55 -0.89 3.17 0.05 -1.97 0.21 116.97 118.08 2b0h h TYR 1945Ca -0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2b0h h TYR 1945Cb 1.01 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.56 2b0h h TYR 1945CO 0.00 0.58 0.54 1.15 -1.05 0.00 0.00 178.16 179.37 2b0h h THR 1946N 0.36 1.25 -0.56 -2.88 2.02 -1.93 -2.22 112.91 108.95 2b0h h THR 1946Ca 0.10 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 2b0h h THR 1946Cb 0.31 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2b0h h THR 1946CO 0.00 0.26 0.13 0.50 0.37 0.00 0.00 175.52 176.78 2b0h h LYS 1947N 1.23 0.90 -0.16 6.66 3.64 -1.30 -2.38 116.57 125.15 2b0h h LYS 1947Ca 0.32 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2b0h h LYS 1947Cb -0.05 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 2b0h h LYS 1947CO -0.06 0.85 -0.08 0.87 -2.27 0.00 0.00 179.45 178.76 2b0h h LYS 1948N 0.80 -0.06 -0.65 1.90 1.79 -0.19 -1.25 116.57 118.92 2b0h h LYS 1948Ca 0.17 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.69 2b0h h LYS 1948Cb 0.35 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 2b0h h LYS 1948CO 0.00 -0.04 0.43 0.93 -1.08 0.00 0.00 179.45 179.69 2b0h h GLU 1949N -0.06 0.71 0.16 3.15 5.08 -1.26 -0.60 114.58 121.75 2b0h h GLU 1949Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2b0h h GLU 1949Cb 0.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2b0h h GLU 1949CO -0.20 0.47 -0.08 1.25 -1.00 0.00 0.00 179.01 179.45 2b0h h LEU 1950N 0.73 -0.18 -0.45 1.33 6.46 -0.78 -1.06 115.31 121.35 2b0h h LEU 1950Ca 0.27 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2b0h h LEU 1950Cb 0.14 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2b0h h LEU 1950CO -0.08 0.02 0.29 0.40 -0.62 0.00 0.00 178.44 178.46 2b0h h ILE 1951N -0.38 1.12 -0.48 4.05 5.03 -0.73 -0.66 117.51 125.46 2b0h h ILE 1951Ca -0.02 -0.24 -0.04 0.00 -0.12 0.00 0.00 64.86 64.44 2b0h h ILE 1951Cb 0.30 0.47 -0.02 0.00 -3.03 0.00 0.00 36.82 34.54 2b0h h ILE 1951CO 0.04 0.12 0.15 -0.33 -0.68 0.00 0.00 178.15 177.44 2b0h h GLU 1952N 0.61 0.71 0.02 2.37 4.39 -1.06 -2.66 114.58 118.97 2b0h h GLU 1952Ca 0.17 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 2b0h h GLU 1952Cb -0.05 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2b0h h GLU 1952CO -0.03 0.62 -0.38 0.00 -1.16 0.00 0.00 179.01 178.06 2b0h h ALA 1954N 0.21 1.20 0.00 0.00 0.00 -1.03 -1.06 119.26 118.58 2b0h h ALA 1954Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2b0h h ALA 1954Cb 1.17 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2b0h h ALA 1954CO 0.07 0.66 -0.18 0.07 0.00 0.00 0.00 179.25 179.87 2b0h h ARG 1955N 1.30 0.00 0.24 0.00 0.11 -1.60 -2.41 114.38 112.03 2b0h h ARG 1955Ca 0.34 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 60.07 2b0h h ARG 1955Cb -0.04 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.07 2b0h h ARG 1955CO -0.06 0.18 -1.56 0.00 0.10 0.00 0.00 179.97 178.63 2b0h h ARG 1956N 0.00 0.50 0.00 0.08 3.08 -1.29 -3.33 114.38 113.43 2b0h h ARG 1956Ca -0.00 -0.86 -0.05 0.00 0.07 0.00 0.00 59.98 59.14 2b0h h ARG 1956Cb 0.54 0.32 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2b0h h ARG 1956CO 0.02 1.41 -0.21 -0.39 -1.07 0.00 0.00 179.97 179.73 2b0h h VAL 1957N 0.13 0.52 0.00 2.04 -1.51 -1.06 -2.36 116.25 114.02 2b0h h VAL 1957Ca -0.28 -1.11 -0.02 0.00 -1.23 0.00 0.00 66.70 64.06 2b0h h VAL 1957Cb 2.15 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 33.08 2b0h h VAL 1957CO 0.25 0.21 -0.09 -1.28 -1.23 0.00 0.00 177.57 175.43 2b0h h SER 1958N 0.00 0.00 -0.27 4.19 0.87 -1.54 -0.50 113.55 116.30 2b0h h SER 1958Ca -0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 2b0h h SER 1958Cb 0.75 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2b0h h SER 1958CO 0.03 0.09 -0.40 -0.33 -0.53 0.00 0.00 176.83 175.69 2b0h h GLU 1959N 0.00 0.83 -0.24 2.24 5.08 -1.57 -3.09 114.58 117.83 2b0h h GLU 1959Ca -0.00 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 2b0h h GLU 1959Cb 0.31 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2b0h h GLU 1959CO 0.01 1.07 -0.04 0.87 -1.00 0.00 0.00 179.01 179.92 2b0h h LYS 1960N 0.67 0.37 -0.55 2.33 6.56 -1.18 -1.13 116.57 123.65 2b0h h LYS 1960Ca 0.05 -0.07 -0.09 0.00 -1.06 0.00 0.00 60.65 59.48 2b0h h LYS 1960Cb 0.97 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.55 2b0h h LYS 1960CO 0.09 0.43 -0.03 -0.39 -2.06 0.00 0.00 179.45 177.50 2b0h h VAL 1961N 0.35 1.26 0.00 0.50 -1.51 -1.36 -1.02 116.25 114.48 2b0h h VAL 1961Ca 0.08 -1.14 -0.06 0.00 -1.23 0.00 0.00 66.70 64.35 2b0h h VAL 1961Cb 0.31 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2b0h h VAL 1961CO 0.01 0.41 -0.30 0.28 -1.23 0.00 0.00 177.57 176.74 2b0h h SER 1962N 0.88 0.00 -0.17 4.19 0.02 -1.33 -2.55 113.55 114.59 2b0h h SER 1962Ca 0.16 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 2b0h h SER 1962Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2b0h h SER 1962CO 0.03 0.30 -0.65 0.45 -1.14 0.00 0.00 176.83 175.82 2b0h h HIS 1963N 0.00 1.02 -0.76 3.45 -0.00 -0.23 -0.93 115.15 117.70 2b0h h HIS 1963Ca -0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 2b0h h HIS 1963Cb 0.76 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.96 2b0h h HIS 1963CO 0.00 1.22 0.49 0.28 -0.00 0.00 0.00 177.93 179.92 2b0h h VAL 1964N 0.57 1.20 -0.27 2.45 2.07 -1.02 -0.40 116.25 120.86 2b0h h VAL 1964Ca -0.02 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2b0h h VAL 1964Cb 1.26 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2b0h h VAL 1964CO 0.14 0.20 0.13 -0.07 0.02 0.00 0.00 177.57 177.98 2b0h h LEU 1965N 1.03 0.19 -0.98 2.57 3.38 -1.19 -1.38 115.31 118.92 2b0h h LEU 1965Ca 0.28 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 2b0h h LEU 1965Cb -0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2b0h h LEU 1965CO -0.06 0.14 -0.50 0.00 0.09 0.00 0.00 178.44 178.12 2b0h h ALA 1966N 1.14 1.16 -0.08 1.53 0.00 -0.91 -0.56 119.26 121.54 2b0h h ALA 1966Ca 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2b0h h ALA 1966Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2b0h h ALA 1966CO -0.08 0.63 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 2b0h h ALA 1967N 1.48 0.11 0.15 0.00 0.00 -0.68 -3.18 119.26 117.14 2b0h h ALA 1967Ca -0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 2b0h h ALA 1967Cb 0.89 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.68 2b0h h ALA 1967CO 0.07 -0.08 -1.06 -0.07 0.00 0.00 0.00 179.25 178.11 2b0h h LEU 1968N -0.23 0.67 -0.64 0.00 -0.00 -1.22 -3.26 115.31 110.63 2b0h h LEU 1968Ca 0.01 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 57.00 2b0h h LEU 1968Cb 0.58 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2b0h h LEU 1968CO 0.02 1.50 0.00 0.00 -0.00 0.00 0.00 178.44 179.96 2b0h n GLN 1969N -3.96 1.19 0.00 1.13 6.02 -0.22 -3.96 117.38 117.58 2b0h n GLN 1969Ca -0.14 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2b0h n GLN 1969Cb 0.91 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.90 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 -0.17 -0.23 -0.60 -1.58 0.00 -1.20 -4.93 120.51 111.80 2b0h n ALA 1970Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2b0h n ALA 1970Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2b0h n ALA 1970CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b0h n GLY 1971N 0.34 2.81 3.47 0.00 0.00 -1.25 -4.29 105.19 106.26 2b0h n GLY 1971Ca 0.00 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 2b0h n GLY 1971CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b0h s ASN 1972N -4.00 6.87 0.00 1.61 3.84 -1.26 -4.81 114.94 117.19 2b0h s ASN 1972Ca 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 52.86 50.53 2b0h s ASN 1972Cb 0.00 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 2b0h s ASN 1972CO 0.00 -0.92 0.00 -2.11 -2.79 0.00 0.00 177.10 171.28