#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 0.71 -1.20 -0.61 2.08 -1.26 -5.15 119.36 113.92 2b0h n ILE 1838Ca 0.00 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.55 2b0h n ILE 1838Cb 0.00 -1.40 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 2b0h n ILE 1838CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2b0h n ASP 1839N -3.11 -6.16 -1.41 4.38 8.00 -1.26 -4.73 116.55 112.25 2b0h n ASP 1839Ca -0.01 0.78 -0.02 0.00 0.71 0.00 0.00 54.79 56.25 2b0h n ASP 1839Cb 0.03 -2.83 0.01 0.00 -0.02 0.00 0.00 41.12 38.31 2b0h n ASP 1839CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2b0h n PRO 1840N 0.50 1.09 -4.31 -0.24 -0.05 -1.26 -4.82 135.00 125.90 2b0h n PRO 1840Ca 0.00 -0.18 -0.17 0.00 -0.05 0.00 0.00 63.50 63.11 2b0h n PRO 1840Cb 0.00 -1.07 -0.10 0.00 -0.05 0.00 0.00 33.50 32.28 2b0h n PRO 1840CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2b0h s PHE 1841N -0.20 1.50 -0.66 0.54 0.08 -1.26 -4.90 117.98 113.07 2b0h s PHE 1841Ca 0.03 -0.79 -0.10 0.00 0.12 0.00 0.00 56.93 56.19 2b0h s PHE 1841Cb 0.03 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 2b0h s PHE 1841CO 0.00 0.09 0.64 0.25 -0.10 0.00 0.00 175.22 176.11 2b0h n THR 1842N -0.34 -6.71 0.09 0.64 -2.24 -1.26 -4.91 114.28 99.54 2b0h n THR 1842Ca -0.07 0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 2b0h n THR 1842Cb 0.62 -4.93 0.07 0.00 -2.10 0.00 0.00 70.33 63.99 2b0h n THR 1842CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b0h h MET 1843N 0.77 0.19 -0.15 -0.78 -0.00 -1.94 -3.37 114.93 109.65 2b0h h MET 1843Ca -0.34 -0.16 -0.19 0.00 -0.00 0.00 0.00 59.70 59.01 2b0h h MET 1843Cb 1.22 0.03 -0.26 0.00 -0.00 0.00 0.00 31.60 32.60 2b0h h MET 1843CO 0.29 0.82 -0.64 0.41 -0.00 0.00 0.00 176.91 177.79 2b0h n GLY 1844N 0.50 1.69 3.87 -3.00 0.00 -1.26 -5.12 105.19 101.86 2b0h n GLY 1844Ca -0.03 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.14 6.66 0.01 1.61 1.11 -1.26 -5.03 116.67 117.63 2b0h s ASP 1845Ca 0.17 1.02 -0.03 0.00 0.18 0.00 0.00 52.55 53.88 2b0h s ASP 1845Cb 0.35 -2.27 -0.01 0.00 1.07 0.00 0.00 42.92 42.06 2b0h s ASP 1845CO -0.09 -0.12 1.06 1.55 1.18 0.00 0.00 175.17 178.75 2b0h h PRO 1846N 2.41 -0.06 0.00 8.23 0.13 -2.00 -3.42 132.00 137.29 2b0h h PRO 1846Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2b0h h PRO 1846Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2b0h h PRO 1846CO 0.68 -0.04 -0.58 -0.85 -0.23 0.00 0.00 178.00 176.98 2b0h n GLU 1847N -2.82 0.87 0.00 0.86 -0.00 -1.26 -4.98 120.64 113.31 2b0h n GLU 1847Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 2b0h n GLU 1847Cb 0.04 -0.79 0.00 0.00 -0.00 0.00 0.00 31.44 30.69 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 2.39 0.98 3.61 -1.84 0.00 -1.26 -4.48 105.19 104.58 2b0h n GLY 1848Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -3.79 0.11 1.61 7.64 -1.26 -4.87 113.62 113.06 2b0h n SER 1849Ca 0.00 -0.65 0.11 0.00 1.01 0.00 0.00 58.87 59.34 2b0h n SER 1849Cb 0.00 -4.73 0.60 0.00 -1.01 0.00 0.00 64.21 59.07 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 -2.20 0.13 0.00 1.43 3.57 -1.86 -1.87 116.94 116.14 2b0h h PHE 1850Ca -0.59 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.90 2b0h h PHE 1850Cb 1.36 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 2b0h h PHE 1850CO 0.48 0.07 -0.08 -0.39 -2.23 0.00 0.00 178.31 176.17 2b0h h VAL 1851N 0.14 1.00 0.01 1.41 -1.51 -1.95 0.19 116.25 115.54 2b0h h VAL 1851Ca 0.12 -0.27 -0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2b0h h VAL 1851Cb 0.31 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2b0h h VAL 1851CO -0.02 0.07 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.61 2b0h h ASP 1852N 0.00 -0.01 -0.32 4.19 3.58 -1.71 -1.18 116.42 120.96 2b0h h ASP 1852Ca -0.00 -0.49 -0.10 0.00 0.42 0.00 0.00 57.03 56.86 2b0h h ASP 1852Cb 0.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2b0h h ASP 1852CO 0.01 0.49 -0.14 1.88 -2.88 0.00 0.00 179.24 178.60 2b0h h TYR 1853N -0.52 0.85 0.53 0.28 0.05 -1.54 -2.70 116.97 113.92 2b0h h TYR 1853Ca -0.00 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 2b0h h TYR 1853Cb 0.51 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2b0h h TYR 1853CO 0.10 0.86 -0.45 0.37 -1.05 0.00 0.00 178.16 177.99 2b0h h GLN 1854N 0.69 -0.93 -0.90 4.88 4.15 -0.61 -2.88 115.11 119.52 2b0h h GLN 1854Ca 0.11 0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2b0h h GLN 1854Cb 0.63 0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 2b0h h GLN 1854CO 0.04 -0.62 0.59 1.15 -1.93 0.00 0.00 178.83 178.06 2b0h h THR 1855N -0.97 1.18 -0.22 2.39 2.02 -1.13 -2.34 112.91 113.85 2b0h h THR 1855Ca -0.06 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 2b0h h THR 1855Cb 0.83 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2b0h h THR 1855CO -0.02 0.21 -0.02 0.00 0.37 0.00 0.00 175.52 176.07 2b0h h THR 1856N 1.17 1.27 0.00 3.16 1.03 -1.45 -2.14 112.91 115.94 2b0h h THR 1856Ca 0.35 -0.95 -0.09 0.00 -0.01 0.00 0.00 66.41 65.71 2b0h h THR 1856Cb -0.06 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.46 2b0h h THR 1856CO -0.10 0.29 -0.41 0.00 -0.01 0.00 0.00 175.52 175.29 2b0h h MET 1857N 0.16 0.00 -0.08 0.00 -0.00 -1.39 0.17 114.93 113.79 2b0h h MET 1857Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.59 2b0h h MET 1857Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.04 2b0h h MET 1857CO 0.02 0.41 -0.69 -0.39 -0.00 0.00 0.00 176.91 176.26 2b0h h VAL 1858N 0.00 1.38 -0.57 -0.10 -1.51 -1.41 0.19 116.25 114.23 2b0h h VAL 1858Ca -0.00 -2.09 -0.10 0.00 -1.23 0.00 0.00 66.70 63.28 2b0h h VAL 1858Cb 1.31 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 32.52 2b0h h VAL 1858CO 0.05 0.63 -0.03 0.03 -1.23 0.00 0.00 177.57 177.02 2b0h h ARG 1859N 0.26 1.01 -0.62 5.19 2.47 -1.09 -1.30 114.38 120.30 2b0h h ARG 1859Ca -0.02 -0.32 -0.06 0.00 -1.26 0.00 0.00 59.98 58.31 2b0h h ARG 1859Cb 1.24 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.45 2b0h h ARG 1859CO 0.12 1.01 0.15 1.15 0.56 0.00 0.00 179.97 182.96 2b0h h THR 1860N 0.92 1.25 -0.85 2.04 2.02 -0.72 0.59 112.91 118.17 2b0h h THR 1860Ca 0.16 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 2b0h h THR 1860Cb 0.57 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 2b0h h THR 1860CO 0.03 0.34 0.40 0.00 0.37 0.00 0.00 175.52 176.67 2b0h h ALA 1861N 1.05 1.11 -0.19 6.16 0.00 -0.42 1.00 119.26 127.96 2b0h h ALA 1861Ca 0.20 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2b0h h ALA 1861Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2b0h h ALA 1861CO 0.00 0.67 -0.27 0.87 0.00 0.00 0.00 179.25 180.52 2b0h h LYS 1862N 1.21 0.36 -0.30 0.00 1.57 -0.87 0.75 116.57 119.29 2b0h h LYS 1862Ca 0.29 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2b0h h LYS 1862Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2b0h h LYS 1862CO -0.03 0.60 0.04 0.00 -0.57 0.00 0.00 179.45 179.49 2b0h h ALA 1863N 1.40 0.39 -0.65 3.86 0.00 -0.06 -1.28 119.26 122.92 2b0h h ALA 1863Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2b0h h ALA 1863Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2b0h h ALA 1863CO 0.05 0.09 0.42 0.82 0.00 0.00 0.00 179.25 180.62 2b0h h ILE 1864N 0.31 1.12 -0.55 0.00 2.04 -0.48 -0.32 117.51 119.64 2b0h h ILE 1864Ca 0.09 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2b0h h ILE 1864Cb 0.35 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2b0h h ILE 1864CO 0.01 0.15 0.35 0.00 0.00 0.00 0.00 178.15 178.66 2b0h h ALA 1865N 1.26 0.70 0.00 1.87 0.00 -0.62 0.35 119.26 122.83 2b0h h ALA 1865Ca 0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2b0h h ALA 1865Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2b0h h ALA 1865CO -0.08 0.09 -0.51 -0.24 0.00 0.00 0.00 179.25 178.51 2b0h h VAL 1866N 0.70 1.08 0.45 0.00 3.04 -1.01 -1.36 116.25 119.15 2b0h h VAL 1866Ca 0.21 -1.98 -0.02 0.00 -1.01 0.00 0.00 66.70 63.90 2b0h h VAL 1866Cb -0.04 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2b0h h VAL 1866CO -0.07 0.50 -0.22 0.74 -1.01 0.00 0.00 177.57 177.52 2b0h h THR 1867N 0.00 0.40 -0.37 3.17 2.02 -0.26 -2.70 112.91 115.17 2b0h h THR 1867Ca -0.01 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2b0h h THR 1867Cb 1.12 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2b0h h THR 1867CO 0.07 0.07 0.08 -0.37 0.37 0.00 0.00 175.52 175.74 2b0h h VAL 1868N -0.96 1.17 -0.05 3.16 -1.51 -0.31 -1.72 116.25 116.03 2b0h h VAL 1868Ca -0.06 -0.61 -0.15 0.00 -1.23 0.00 0.00 66.70 64.64 2b0h h VAL 1868Cb 0.57 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2b0h h VAL 1868CO 0.10 0.22 -0.65 0.06 -1.23 0.00 0.00 177.57 176.07 2b0h h GLN 1869N 0.53 0.21 0.00 5.19 3.07 -1.32 -2.45 115.11 120.33 2b0h h GLN 1869Ca 0.12 -0.16 -0.11 0.00 0.09 0.00 0.00 58.65 58.60 2b0h h GLN 1869Cb 0.21 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 2b0h h GLN 1869CO -0.00 0.79 -0.50 0.93 0.09 0.00 0.00 178.83 180.13 2b0h h GLU 1870N 0.15 0.00 -0.68 0.06 4.39 -1.03 -2.47 114.58 115.00 2b0h h GLU 1870Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2b0h h GLU 1870Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 2b0h h GLU 1870CO 0.10 0.50 0.38 0.52 -1.16 0.00 0.00 179.01 179.36 2b0h h MET 1871N 0.00 0.95 0.00 2.33 2.86 -0.85 0.87 114.93 121.08 2b0h h MET 1871Ca -0.01 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 2b0h h MET 1871Cb 0.93 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2b0h h MET 1871CO 0.07 0.70 -0.57 -0.39 1.06 0.00 0.00 176.91 177.78 2b0h h VAL 1872N 0.93 1.33 0.16 -2.22 -1.51 -1.42 -1.50 116.25 112.02 2b0h h VAL 1872Ca 0.24 -2.02 -0.29 0.00 -1.23 0.00 0.00 66.70 63.40 2b0h h VAL 1872Cb 0.03 2.11 0.02 0.00 -2.13 0.00 0.00 31.29 31.32 2b0h h VAL 1872CO -0.04 0.56 -1.29 0.74 -1.23 0.00 0.00 177.57 176.31 2b0h h THR 1873N 0.00 1.39 -0.09 7.19 2.02 -0.88 -3.32 112.91 119.22 2b0h h THR 1873Ca -0.01 -2.79 -0.21 0.00 0.77 0.00 0.00 66.41 64.17 2b0h h THR 1873Cb 1.07 2.88 0.01 0.00 -1.74 0.00 0.00 68.15 70.37 2b0h h THR 1873CO 0.07 0.83 -0.76 0.11 0.37 0.00 0.00 175.52 176.14 2b0h h LYS 1874N 0.15 0.67 0.00 6.66 1.79 0.79 -3.29 116.57 123.33 2b0h h LYS 1874Ca -0.18 -0.60 0.00 0.00 -2.18 0.00 0.00 60.65 57.69 2b0h h LYS 1874Cb 1.99 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.78 2b0h h LYS 1874CO 0.23 1.21 0.32 0.66 -1.08 0.00 0.00 179.45 180.79 2b0h h SER 1875N 0.33 0.00 -0.17 0.86 4.64 -1.26 1.32 113.55 119.27 2b0h h SER 1875Ca -0.07 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.05 2b0h h SER 1875Cb 1.41 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2b0h h SER 1875CO 0.15 0.00 -0.67 0.78 -0.87 0.00 0.00 176.83 176.23 2b0h h ASN 1876N 0.00 0.88 0.00 4.97 2.35 -1.71 -3.39 115.58 118.68 2b0h h ASN 1876Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2b0h h ASN 1876Cb 0.64 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2b0h h ASN 1876CO 0.00 1.35 -0.57 0.35 -1.65 0.00 0.00 177.43 176.90 2b0h n THR 1877N -4.02 0.00 -3.65 2.81 -2.24 -0.16 -4.97 114.28 102.04 2b0h n THR 1877Ca -0.07 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 2b0h n THR 1877Cb 0.69 0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.45 3.74 0.00 3.42 0.01 0.44 -4.93 113.70 114.92 2b0h s SER 1878Ca 0.00 -1.43 0.23 0.00 1.31 0.00 0.00 55.95 56.06 2b0h s SER 1878Cb 0.00 -0.63 0.78 0.00 0.21 0.00 0.00 66.02 66.38 2b0h s SER 1878CO 0.00 -0.42 1.58 -0.81 0.41 0.00 0.00 173.24 174.00 2b0h n PRO 1879N 5.03 1.81 0.06 12.44 -0.04 -1.26 -3.29 135.00 149.75 2b0h n PRO 1879Ca -0.04 -1.20 -0.21 0.00 -0.04 0.00 0.00 63.50 62.01 2b0h n PRO 1879Cb 0.42 -1.43 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 2b0h n PRO 1879CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2b0h h GLU 1880N 2.57 0.34 0.00 0.54 4.11 -1.91 -3.32 114.58 116.91 2b0h h GLU 1880Ca 0.00 -0.59 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2b0h h GLU 1880Cb 0.56 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2b0h h GLU 1880CO 0.00 1.24 0.00 0.39 0.07 0.00 0.00 179.01 180.71 2b0h n GLU 1881N -3.54 0.18 0.00 1.06 -0.58 -1.26 -2.06 120.64 114.45 2b0h n GLU 1881Ca -0.23 0.51 0.15 0.00 -0.42 0.00 0.00 57.16 57.16 2b0h n GLU 1881Cb 1.07 -1.92 0.81 0.00 -0.57 0.00 0.00 31.44 30.83 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 -2.28 0.00 0.05 -4.62 4.77 -1.25 -1.80 117.00 111.87 2b0h n LEU 1882Ca 0.01 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2b0h n LEU 1882Cb 0.16 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2b0h n LEU 1882CO 0.16 -0.01 0.10 1.23 -1.33 0.00 0.00 177.39 177.55 2b0h h GLY 1883N 4.78 -0.23 0.89 -0.72 0.00 -1.63 -3.16 103.07 102.99 2b0h h GLY 1883Ca 0.00 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.44 2b0h h GLY 1883CO 0.00 -0.08 0.37 -2.55 0.00 0.00 0.00 176.54 174.27 2b0h h PRO 1884N -0.92 0.71 -0.41 4.80 0.11 -1.76 -2.94 132.00 131.59 2b0h h PRO 1884Ca -0.02 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.06 2b0h h PRO 1884Cb 0.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2b0h h PRO 1884CO 0.04 0.47 0.27 -0.07 -0.21 0.00 0.00 178.00 178.50 2b0h h LEU 1885N 0.73 0.43 -0.12 2.35 3.38 -1.53 0.35 115.31 120.89 2b0h h LEU 1885Ca 0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2b0h h LEU 1885Cb 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2b0h h LEU 1885CO -0.09 0.30 -0.09 0.00 0.09 0.00 0.00 178.44 178.65 2b0h h ALA 1886N 1.75 0.18 0.00 1.53 0.00 -1.48 0.92 119.26 122.16 2b0h h ALA 1886Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2b0h h ALA 1886Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2b0h h ALA 1886CO -0.04 -0.00 -0.33 -0.91 0.00 0.00 0.00 179.25 177.97 2b0h h ASN 1887N -0.09 0.00 0.38 0.00 2.35 -1.35 -1.28 115.58 115.59 2b0h h ASN 1887Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2b0h h ASN 1887Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2b0h h ASN 1887CO 0.02 0.33 -0.18 -0.61 -1.65 0.00 0.00 177.43 175.34 2b0h h GLN 1888N 0.00 -0.49 -0.63 0.81 5.75 -0.10 -0.57 115.11 119.88 2b0h h GLN 1888Ca -0.00 0.03 0.11 0.00 -0.15 0.00 0.00 58.65 58.64 2b0h h GLN 1888Cb 0.70 0.11 -0.08 0.00 1.07 0.00 0.00 27.48 29.28 2b0h h GLN 1888CO 0.04 -0.21 0.19 1.25 -2.65 0.00 0.00 178.83 177.45 2b0h h LEU 1889N -0.76 0.12 -0.56 -2.39 6.46 -0.61 0.21 115.31 117.78 2b0h h LEU 1889Ca -0.05 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2b0h h LEU 1889Cb 0.52 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 2b0h h LEU 1889CO 0.09 0.06 0.31 0.74 -0.62 0.00 0.00 178.44 179.02 2b0h h THR 1890N 0.34 0.99 -0.36 1.05 2.02 -1.15 -0.22 112.91 115.59 2b0h h THR 1890Ca 0.33 -0.21 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 2b0h h THR 1890Cb 0.47 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2b0h h THR 1890CO -0.37 0.11 -0.40 0.28 0.37 0.00 0.00 175.52 175.51 2b0h h SER 1891N 0.60 0.94 -0.13 4.18 0.02 0.28 -1.97 113.55 117.46 2b0h h SER 1891Ca 0.24 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2b0h h SER 1891Cb 0.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2b0h h SER 1891CO -0.14 1.22 0.08 0.44 -1.14 0.00 0.00 176.83 177.29 2b0h h ASP 1892N 0.71 0.16 -0.71 3.07 3.32 -0.25 -2.32 116.42 120.40 2b0h h ASP 1892Ca 0.06 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2b0h h ASP 1892Cb 0.98 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.46 2b0h h ASP 1892CO 0.09 0.14 0.47 0.22 -1.72 0.00 0.00 179.24 178.44 2b0h h TYR 1893N 0.16 0.87 -0.53 4.55 3.20 -0.97 -1.24 116.97 123.00 2b0h h TYR 1893Ca 0.05 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2b0h h TYR 1893Cb 0.01 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 37.96 2b0h h TYR 1893CO -0.06 0.53 0.35 0.78 -1.64 0.00 0.00 178.16 178.12 2b0h h GLY 1894N 0.92 0.70 1.56 1.82 0.00 -0.82 0.27 103.07 107.52 2b0h h GLY 1894Ca 0.27 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 47.09 2b0h h GLY 1894CO -0.07 0.22 -1.17 -0.09 0.00 0.00 0.00 176.54 175.44 2b0h h ARG 1895N 0.63 0.36 0.02 4.80 2.43 -0.94 -3.20 114.38 118.47 2b0h h ARG 1895Ca 0.21 -0.51 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2b0h h ARG 1895Cb 0.07 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2b0h h ARG 1895CO -0.05 1.21 -0.01 1.25 -1.51 0.00 0.00 179.97 180.86 2b0h h LEU 1896N 0.14 -0.02 -1.95 3.80 5.85 -0.38 -2.84 115.31 119.92 2b0h h LEU 1896Ca -0.13 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 2b0h h LEU 1896Cb 1.86 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 2b0h h LEU 1896CO 0.20 0.39 -0.11 0.00 -0.34 0.00 0.00 178.44 178.58 2b0h h ALA 1897N 0.55 1.27 0.14 1.25 0.00 -0.64 -2.62 119.26 119.21 2b0h h ALA 1897Ca -0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2b0h h ALA 1897Cb 0.41 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2b0h h ALA 1897CO 0.00 0.13 -0.98 0.66 0.00 0.00 0.00 179.25 179.07 2b0h h SER 1898N 0.00 0.48 0.50 0.00 4.64 -1.54 -3.26 113.55 114.36 2b0h h SER 1898Ca -0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 2b0h h SER 1898Cb 0.32 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2b0h h SER 1898CO 0.01 1.46 0.00 1.56 -0.87 0.00 0.00 176.83 178.99 2b0h h GLN 1899N -0.33 0.00 0.00 4.77 1.08 -1.25 -2.05 115.11 117.33 2b0h h GLN 1899Ca -0.18 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2b0h h GLN 1899Cb 1.70 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.13 2b0h h GLN 1899CO 0.14 0.00 -0.13 0.00 -0.95 0.00 0.00 178.83 177.89 2b0h h ALA 1900N 2.05 1.63 0.17 3.87 0.00 -1.52 -2.21 119.26 123.26 2b0h h ALA 1900Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2b0h h ALA 1900Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b0h h ALA 1900CO 0.00 0.16 -0.08 -0.22 0.00 0.00 0.00 179.25 179.11 2b0h h LYS 1901N 0.00 -0.22 0.00 0.00 3.11 -1.53 -2.26 116.57 115.67 2b0h h LYS 1901Ca -0.00 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 2b0h h LYS 1901Cb 0.26 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.53 2b0h h LYS 1901CO 0.02 0.08 -0.06 -1.35 -2.81 0.00 0.00 179.45 175.34 2b0h h PRO 1902N -0.99 0.00 -0.05 1.90 0.11 -1.70 -1.17 132.00 130.10 2b0h h PRO 1902Ca -0.02 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 2b0h h PRO 1902Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2b0h h PRO 1902CO 0.04 0.06 -0.71 0.00 -0.21 0.00 0.00 178.00 177.18 2b0h h ALA 1903N 1.94 0.69 0.00 -0.75 0.00 -1.46 -2.50 119.26 117.18 2b0h h ALA 1903Ca -0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 2b0h h ALA 1903Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2b0h h ALA 1903CO 0.01 0.79 -0.84 0.00 0.00 0.00 0.00 179.25 179.20 2b0h h ALA 1904N 1.06 0.59 0.00 0.00 0.00 -0.61 -2.61 119.26 117.69 2b0h h ALA 1904Ca -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 2b0h h ALA 1904Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2b0h h ALA 1904CO 0.11 0.95 -0.15 -0.39 0.00 0.00 0.00 179.25 179.77 2b0h h VAL 1905N 0.06 0.17 -0.62 0.00 -1.51 -1.37 -3.03 116.25 109.95 2b0h h VAL 1905Ca -0.03 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 2b0h h VAL 1905Cb 1.46 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.68 2b0h h VAL 1905CO 0.12 0.10 0.00 0.00 -1.23 0.00 0.00 177.57 176.56 2b0h n ALA 1906N -2.13 2.53 -2.60 5.19 0.00 -0.94 -4.88 120.51 117.68 2b0h n ALA 1906Ca 0.03 -1.16 -0.40 0.00 0.00 0.00 0.00 53.44 51.90 2b0h n ALA 1906Cb 0.57 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.29 3.55 0.02 0.00 0.00 -1.00 -4.56 121.76 118.48 2b0h s ALA 1907Ca 0.43 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 2b0h s ALA 1907Cb 0.23 -2.95 -0.17 0.00 0.00 0.00 0.00 23.12 20.23 2b0h s ALA 1907CO 0.27 -0.91 1.40 0.93 0.00 0.00 0.00 175.76 177.45 2b0h h GLU 1908N 8.17 0.07 -6.56 0.00 4.39 -1.89 -3.45 114.58 115.31 2b0h h GLU 1908Ca -0.28 -0.03 -0.52 0.00 0.34 0.00 0.00 59.36 58.87 2b0h h GLU 1908Cb 1.13 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 2b0h h GLU 1908CO 0.74 0.41 -0.01 -0.80 -1.16 0.00 0.00 179.01 178.20 2b0h s ASN 1909N -5.64 6.73 0.15 1.42 -0.87 -1.26 -4.99 114.94 110.49 2b0h s ASN 1909Ca -0.15 1.12 -0.23 0.00 -1.57 0.00 0.00 52.86 52.02 2b0h s ASN 1909Cb 0.03 -2.31 0.03 0.00 -0.02 0.00 0.00 41.25 38.99 2b0h s ASN 1909CO 0.68 -0.11 1.61 -0.08 -2.57 0.00 0.00 177.10 176.63 2b0h h GLU 1910N 2.54 -0.27 -0.03 -0.60 4.81 -2.00 -2.72 114.58 116.31 2b0h h GLU 1910Ca -0.47 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 2b0h h GLU 1910Cb 1.17 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2b0h h GLU 1910CO 0.67 -0.18 -0.53 0.93 -0.73 0.00 0.00 179.01 179.17 2b0h h GLU 1911N -0.28 0.07 0.15 1.92 4.39 -1.97 -1.70 114.58 117.16 2b0h h GLU 1911Ca 0.15 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2b0h h GLU 1911Cb 0.52 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2b0h h GLU 1911CO -0.45 0.59 -0.23 0.82 -1.16 0.00 0.00 179.01 178.58 2b0h h ILE 1912N 0.06 0.50 0.00 3.13 2.04 -1.82 0.37 117.51 121.79 2b0h h ILE 1912Ca -0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2b0h h ILE 1912Cb 0.95 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2b0h h ILE 1912CO 0.07 0.00 -0.47 1.23 0.00 0.00 0.00 178.15 178.98 2b0h h GLY 1913N -0.44 0.00 0.95 5.37 0.00 -1.53 -2.94 103.07 104.47 2b0h h GLY 1913Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 2b0h h GLY 1913CO -0.10 0.00 -0.48 0.00 0.00 0.00 0.00 176.54 175.96 2b0h h ALA 1914N 1.53 0.28 -0.56 3.60 0.00 -0.79 -3.09 119.26 120.23 2b0h h ALA 1914Ca -0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2b0h h ALA 1914Cb 1.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2b0h h ALA 1914CO 0.06 0.44 -0.09 0.45 0.00 0.00 0.00 179.25 180.12 2b0h h HIS 1915N 0.28 1.16 -0.10 0.00 3.86 -0.27 -0.34 115.15 119.74 2b0h h HIS 1915Ca -0.01 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 2b0h h HIS 1915Cb 1.10 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 29.22 2b0h h HIS 1915CO 0.10 1.06 -0.33 0.82 0.86 0.00 0.00 177.93 180.44 2b0h h ILE 1916N 0.93 0.28 -0.16 2.45 2.04 -1.54 0.81 117.51 122.32 2b0h h ILE 1916Ca 0.15 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.85 2b0h h ILE 1916Cb 0.66 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2b0h h ILE 1916CO 0.05 0.00 -0.55 0.11 0.00 0.00 0.00 178.15 177.75 2b0h h LYS 1917N -0.42 0.48 -0.67 2.37 1.57 -1.48 -2.89 116.57 115.53 2b0h h LYS 1917Ca 0.09 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2b0h h LYS 1917Cb 0.56 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2b0h h LYS 1917CO -0.34 0.91 0.23 1.25 -0.57 0.00 0.00 179.45 180.93 2b0h h HIS 1918N 0.37 1.03 -0.04 -1.35 2.76 -0.52 -1.28 115.15 116.12 2b0h h HIS 1918Ca 0.01 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 2b0h h HIS 1918Cb 1.08 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2b0h h HIS 1918CO 0.04 0.81 -0.23 0.00 -1.30 0.00 0.00 177.93 177.25 2b0h h ARG 1919N 0.98 0.23 0.00 5.26 2.47 -0.79 -3.13 114.38 119.39 2b0h h ARG 1919Ca 0.22 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2b0h h ARG 1919Cb 0.24 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2b0h h ARG 1919CO -0.01 0.85 -0.22 -0.39 0.56 0.00 0.00 179.97 180.76 2b0h h VAL 1920N -0.34 0.85 -0.79 2.04 -1.51 -1.46 -1.50 116.25 113.53 2b0h h VAL 1920Ca -0.02 -0.86 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 2b0h h VAL 1920Cb 0.90 1.51 -0.04 0.00 -2.13 0.00 0.00 31.29 31.53 2b0h h VAL 1920CO 0.05 0.22 0.37 -0.61 -1.23 0.00 0.00 177.57 176.36 2b0h h GLN 1921N 0.00 1.15 0.01 5.19 -0.00 -1.22 -0.56 115.11 119.68 2b0h h GLN 1921Ca -0.00 -0.17 -0.21 0.00 -0.00 0.00 0.00 58.65 58.27 2b0h h GLN 1921Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.74 2b0h h GLN 1921CO 0.03 0.89 -0.98 1.49 0.00 0.00 0.00 178.83 180.26 2b0h h GLU 1922N 1.13 0.02 -0.32 1.69 4.57 -1.33 -3.20 114.58 117.14 2b0h h GLU 1922Ca 0.27 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2b0h h GLU 1922Cb 0.13 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2b0h h GLU 1922CO -0.03 0.98 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.62 2b0h h LEU 1923N 0.01 0.51 -0.88 1.64 3.38 -0.79 -2.75 115.31 116.43 2b0h h LEU 1923Ca -0.02 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 57.93 2b0h h LEU 1923Cb 1.72 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 2b0h h LEU 1923CO 0.13 0.64 0.52 1.23 0.09 0.00 0.00 178.44 181.05 2b0h h GLY 1924N 0.90 1.38 0.90 0.83 0.00 -1.11 0.29 103.07 106.26 2b0h h GLY 1924Ca 0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2b0h h GLY 1924CO 0.02 0.15 -0.02 0.45 0.00 0.00 0.00 176.54 177.14 2b0h h HIS 1925N 0.86 0.64 -0.44 5.60 3.86 -1.61 -1.58 115.15 122.49 2b0h h HIS 1925Ca 0.42 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.47 2b0h h HIS 1925Cb 0.37 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 2b0h h HIS 1925CO -0.04 0.72 0.09 0.78 0.86 0.00 0.00 177.93 180.34 2b0h h GLY 1926N 0.37 0.76 0.92 2.45 0.00 -1.12 0.46 103.07 106.92 2b0h h GLY 1926Ca 0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2b0h h GLY 1926CO 0.02 0.45 0.02 0.00 0.00 0.00 0.00 176.54 177.04 2b0h h SER 1928N -0.03 1.04 -0.17 0.00 0.87 -1.16 -0.81 113.55 113.29 2b0h h SER 1928Ca 0.01 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 2b0h h SER 1928Cb 0.08 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2b0h h SER 1928CO -0.00 0.83 -0.12 0.00 -0.53 0.00 0.00 176.83 177.00 2b0h h ALA 1929N 1.34 0.25 -0.21 6.23 0.00 -0.69 -2.90 119.26 123.28 2b0h h ALA 1929Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2b0h h ALA 1929Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2b0h h ALA 1929CO -0.05 0.10 0.10 1.25 0.00 0.00 0.00 179.25 180.65 2b0h h LEU 1930N 0.05 0.28 -1.85 0.00 6.46 -0.35 -0.26 115.31 119.64 2b0h h LEU 1930Ca 0.03 -0.13 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 2b0h h LEU 1930Cb 0.63 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2b0h h LEU 1930CO 0.03 0.33 -0.13 -0.37 -0.62 0.00 0.00 178.44 177.69 2b0h h VAL 1931N 0.20 0.89 -0.06 1.05 -1.51 -1.23 0.31 116.25 115.90 2b0h h VAL 1931Ca 0.07 -0.47 -0.22 0.00 -1.23 0.00 0.00 66.70 64.85 2b0h h VAL 1931Cb 0.13 1.27 0.01 0.00 -2.13 0.00 0.00 31.29 30.58 2b0h h VAL 1931CO -0.01 0.13 -0.81 0.74 -1.23 0.00 0.00 177.57 176.38 2b0h h THR 1932N 0.00 1.31 -0.49 7.19 2.02 -1.21 -2.07 112.91 119.66 2b0h h THR 1932Ca -0.00 -2.07 -0.08 0.00 0.77 0.00 0.00 66.41 65.03 2b0h h THR 1932Cb 0.26 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 2b0h h THR 1932CO 0.02 0.64 -0.02 0.11 0.37 0.00 0.00 175.52 176.64 2b0h h LYS 1933N 0.33 0.83 -0.66 6.66 1.79 0.04 0.37 116.57 125.93 2b0h h LYS 1933Ca -0.08 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 2b0h h LYS 1933Cb 1.47 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 32.00 2b0h h LYS 1933CO 0.16 0.85 0.35 0.00 -1.08 0.00 0.00 179.45 179.73 2b0h h ALA 1934N 1.21 0.85 -0.46 3.86 0.00 -0.42 0.38 119.26 124.67 2b0h h ALA 1934Ca 0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2b0h h ALA 1934Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1934CO 0.02 0.37 -0.12 0.78 0.00 0.00 0.00 179.25 180.31 2b0h h GLY 1935N 0.90 0.96 0.96 0.00 0.00 -0.99 -0.51 103.07 104.41 2b0h h GLY 1935Ca 0.23 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 2b0h h GLY 1935CO -0.04 0.73 0.17 0.00 0.00 0.00 0.00 176.54 177.40 2b0h h ALA 1936N 0.87 0.38 0.00 3.60 0.00 -0.64 -1.83 119.26 121.65 2b0h h ALA 1936Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2b0h h ALA 1936Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2b0h h ALA 1936CO 0.05 -0.10 -0.47 1.25 0.00 0.00 0.00 179.25 179.97 2b0h h LEU 1937N 0.37 0.00 -1.37 0.00 5.85 -0.90 0.31 115.31 119.56 2b0h h LEU 1937Ca 0.11 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2b0h h LEU 1937Cb 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2b0h h LEU 1937CO -0.02 0.47 -0.31 -0.61 -0.34 0.00 0.00 178.44 177.63 2b0h h GLN 1938N 0.00 0.00 0.12 1.25 4.15 -0.63 -1.59 115.11 118.41 2b0h h GLN 1938Ca -0.00 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.09 2b0h h GLN 1938Cb 0.85 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2b0h h GLN 1938CO 0.06 0.31 -1.70 0.00 -1.93 0.00 0.00 178.83 175.57 2b0h n SER 1940N -3.43 3.29 0.20 0.00 7.64 0.06 -4.92 113.62 116.45 2b0h n SER 1940Ca -0.21 -3.24 0.14 0.00 1.01 0.00 0.00 58.87 56.57 2b0h n SER 1940Cb 1.05 -0.78 0.51 0.00 -1.01 0.00 0.00 64.21 63.98 2b0h n SER 1940CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2b0h h PRO 1941N 5.28 0.00 -0.01 1.43 0.11 -1.54 -2.72 132.00 134.55 2b0h h PRO 1941Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2b0h h PRO 1941Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2b0h h PRO 1941CO 0.75 0.00 -0.14 0.43 -0.21 0.00 0.00 178.00 178.83 2b0h n SER 1942N -2.71 1.28 -4.54 -2.05 7.64 -1.26 -4.79 113.62 107.19 2b0h n SER 1942Ca 0.02 -1.19 -0.43 0.00 1.01 0.00 0.00 58.87 58.29 2b0h n SER 1942Cb 0.33 0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.27 6.37 0.32 6.43 -1.08 -1.02 -4.91 116.67 120.51 2b0h s ASP 1943Ca 0.30 -0.16 0.16 0.00 -0.52 0.00 0.00 52.55 52.33 2b0h s ASP 1943Cb 0.20 -2.33 0.46 0.00 -1.46 0.00 0.00 42.92 39.78 2b0h s ASP 1943CO 0.43 -0.75 1.63 1.62 0.52 0.00 0.00 175.17 178.62 2b0h h VAL 1944N 5.84 1.02 -0.27 1.11 3.04 -1.88 -3.08 116.25 122.03 2b0h h VAL 1944Ca -0.26 -1.88 -0.10 0.00 -1.01 0.00 0.00 66.70 63.46 2b0h h VAL 1944Cb 1.10 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 32.49 2b0h h VAL 1944CO 0.89 0.47 -0.22 1.88 -1.01 0.00 0.00 177.57 179.58 2b0h h TYR 1945N 0.00 0.75 -0.95 3.17 0.05 -1.97 0.99 116.97 119.01 2b0h h TYR 1945Ca -0.00 -0.21 0.05 0.00 0.05 0.00 0.00 58.73 58.61 2b0h h TYR 1945Cb 1.08 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 38.60 2b0h h TYR 1945CO 0.00 0.92 0.62 1.15 -1.05 0.00 0.00 178.16 179.79 2b0h h THR 1946N 0.36 1.13 -0.44 -2.88 2.02 -1.92 -2.39 112.91 108.79 2b0h h THR 1946Ca 0.05 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2b0h h THR 1946Cb 0.77 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2b0h h THR 1946CO 0.06 0.21 -0.02 0.50 0.37 0.00 0.00 175.52 176.64 2b0h h LYS 1947N 1.17 0.79 -0.53 6.66 3.64 -1.36 -2.77 116.57 124.17 2b0h h LYS 1947Ca 0.39 -0.26 0.10 0.00 -1.27 0.00 0.00 60.65 59.61 2b0h h LYS 1947Cb 0.06 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 2b0h h LYS 1947CO -0.14 0.87 0.02 0.87 -2.27 0.00 0.00 179.45 178.80 2b0h h LYS 1948N 0.63 0.13 -0.90 1.90 1.79 -0.33 -0.94 116.57 118.86 2b0h h LYS 1948Ca 0.12 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2b0h h LYS 1948Cb 0.52 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.10 2b0h h LYS 1948CO 0.03 0.09 0.59 0.93 -1.08 0.00 0.00 179.45 180.01 2b0h h GLU 1949N 0.14 1.19 0.04 3.15 5.08 -1.27 0.60 114.58 123.50 2b0h h GLU 1949Ca 0.27 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2b0h h GLU 1949Cb 0.41 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2b0h h GLU 1949CO -0.43 0.79 -0.02 1.25 -1.00 0.00 0.00 179.01 179.60 2b0h h LEU 1950N 1.22 -0.04 -0.66 1.33 6.46 -0.94 0.13 115.31 122.81 2b0h h LEU 1950Ca 0.33 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2b0h h LEU 1950Cb -0.14 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 2b0h h LEU 1950CO -0.07 0.21 0.41 0.40 -0.62 0.00 0.00 178.44 178.77 2b0h h ILE 1951N -0.29 1.19 0.00 4.05 5.03 -1.04 -0.92 117.51 125.53 2b0h h ILE 1951Ca -0.00 -0.39 -0.05 0.00 -0.12 0.00 0.00 64.86 64.30 2b0h h ILE 1951Cb 0.27 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 34.31 2b0h h ILE 1951CO 0.01 0.19 -0.23 -0.33 -0.68 0.00 0.00 178.15 177.11 2b0h h GLU 1952N 0.90 0.00 0.02 2.37 4.39 -0.69 -2.07 114.58 119.51 2b0h h GLU 1952Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2b0h h GLU 1952Cb -0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2b0h h GLU 1952CO -0.05 0.23 -0.01 0.00 -1.16 0.00 0.00 179.01 178.02 2b0h h ALA 1954N 0.03 1.28 0.00 0.00 0.00 -1.01 0.15 119.26 119.71 2b0h h ALA 1954Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2b0h h ALA 1954Cb 0.73 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2b0h h ALA 1954CO 0.01 0.55 -0.16 0.07 0.00 0.00 0.00 179.25 179.71 2b0h h ARG 1955N 0.95 0.00 0.14 0.00 -0.00 -1.51 -1.00 114.38 112.96 2b0h h ARG 1955Ca 0.23 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.97 2b0h h ARG 1955Cb 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.11 2b0h h ARG 1955CO -0.03 0.16 -1.14 0.00 -0.00 0.00 0.00 179.97 178.97 2b0h h ARG 1956N 0.00 0.30 0.00 0.08 3.08 -1.19 -3.35 114.38 113.30 2b0h h ARG 1956Ca -0.00 -0.52 -0.08 0.00 0.07 0.00 0.00 59.98 59.45 2b0h h ARG 1956Cb 0.45 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2b0h h ARG 1956CO 0.02 1.25 -0.39 -0.39 -1.07 0.00 0.00 179.97 179.39 2b0h h VAL 1957N -0.28 1.21 0.00 2.04 -1.51 -0.74 -1.57 116.25 115.40 2b0h h VAL 1957Ca -0.22 -1.38 -0.02 0.00 -1.23 0.00 0.00 66.70 63.84 2b0h h VAL 1957Cb 1.75 1.76 -0.00 0.00 -2.13 0.00 0.00 31.29 32.67 2b0h h VAL 1957CO 0.13 0.39 -0.09 -1.28 -1.23 0.00 0.00 177.57 175.48 2b0h h SER 1958N 0.00 0.00 0.02 4.19 0.87 -1.33 0.64 113.55 117.94 2b0h h SER 1958Ca -0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 2b0h h SER 1958Cb 0.73 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.70 2b0h h SER 1958CO 0.05 0.09 -0.97 -0.33 -0.53 0.00 0.00 176.83 175.15 2b0h h GLU 1959N 0.00 0.68 -0.75 2.24 4.39 -1.42 -2.53 114.58 117.18 2b0h h GLU 1959Ca -0.00 -0.69 -0.02 0.00 0.34 0.00 0.00 59.36 59.00 2b0h h GLU 1959Cb 0.28 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2b0h h GLU 1959CO 0.01 1.28 0.41 0.87 -1.16 0.00 0.00 179.01 180.42 2b0h h LYS 1960N 0.41 1.05 -0.26 2.33 1.79 -0.85 -1.14 116.57 119.90 2b0h h LYS 1960Ca -0.11 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.17 2b0h h LYS 1960Cb 1.61 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 2b0h h LYS 1960CO 0.19 0.78 -0.16 -0.39 -1.08 0.00 0.00 179.45 178.79 2b0h h VAL 1961N 1.04 1.23 0.00 0.50 -1.51 -0.99 -1.38 116.25 115.14 2b0h h VAL 1961Ca 0.26 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.64 2b0h h VAL 1961Cb 0.04 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2b0h h VAL 1961CO -0.04 0.34 -0.19 0.28 -1.23 0.00 0.00 177.57 176.73 2b0h h SER 1962N 0.41 0.00 1.20 4.19 0.02 -0.87 -2.06 113.55 116.44 2b0h h SER 1962Ca 0.07 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 2b0h h SER 1962Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2b0h h SER 1962CO 0.03 0.19 -0.80 0.45 -1.14 0.00 0.00 176.83 175.56 2b0h h HIS 1963N 0.00 0.00 -0.17 3.45 -0.00 -0.15 -1.85 115.15 116.43 2b0h h HIS 1963Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2b0h h HIS 1963Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 2b0h h HIS 1963CO 0.00 0.80 0.04 0.28 -0.00 0.00 0.00 177.93 179.04 2b0h h VAL 1964N 0.00 1.21 -0.19 2.45 2.07 -0.80 0.16 116.25 121.15 2b0h h VAL 1964Ca -0.01 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.89 2b0h h VAL 1964Cb 1.62 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 2b0h h VAL 1964CO 0.10 0.20 -0.22 -0.07 0.02 0.00 0.00 177.57 177.61 2b0h h LEU 1965N 0.08 -0.68 -0.47 2.57 3.38 -1.37 -0.53 115.31 118.28 2b0h h LEU 1965Ca 0.05 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2b0h h LEU 1965Cb 0.28 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2b0h h LEU 1965CO 0.00 -0.26 0.22 0.00 0.09 0.00 0.00 178.44 178.49 2b0h h ALA 1966N 0.79 0.61 -0.39 1.53 0.00 -1.22 0.19 119.26 120.77 2b0h h ALA 1966Ca 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2b0h h ALA 1966Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1966CO -0.33 0.19 0.21 0.00 0.00 0.00 0.00 179.25 179.32 2b0h h ALA 1967N 1.06 0.49 -0.00 0.00 0.00 -0.29 -1.95 119.26 118.56 2b0h h ALA 1967Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2b0h h ALA 1967Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2b0h h ALA 1967CO -0.02 -0.14 -0.50 -0.07 0.00 0.00 0.00 179.25 178.52 2b0h h LEU 1968N 0.43 0.01 0.00 0.00 -0.00 -0.92 -2.61 115.31 112.21 2b0h h LEU 1968Ca 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2b0h h LEU 1968Cb 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2b0h h LEU 1968CO -0.10 0.51 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 2b0h n GLN 1969N -3.94 0.21 0.01 1.13 1.13 0.04 -1.83 117.38 114.12 2b0h n GLN 1969Ca -0.02 0.12 0.11 0.00 -1.94 0.00 0.00 57.00 55.28 2b0h n GLN 1969Cb 0.52 -1.50 0.48 0.00 0.11 0.00 0.00 30.24 29.85 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b0h n ALA 1970N -1.34 2.04 -1.11 -1.58 0.00 -0.96 -4.76 120.51 112.80 2b0h n ALA 1970Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2b0h n ALA 1970Cb 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.83 0.39 2.89 0.00 0.00 -0.76 -4.87 105.19 103.68 2b0h n GLY 1971Ca 0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.44 2b0h n GLY 1971CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b0h n ASN 1972N 0.00 -7.64 -0.28 1.61 4.13 -1.26 -5.14 115.26 106.69 2b0h n ASN 1972Ca 0.00 0.23 0.03 0.00 1.68 0.00 0.00 54.58 56.52 2b0h n ASN 1972Cb 0.00 -5.18 0.03 0.00 -1.54 0.00 0.00 39.78 33.09 2b0h n ASN 1972CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08