#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h n ILE 1838N 0.00-12.15 -4.06 -0.61 2.08 -1.26 -5.04 119.36 98.32 2b0h n ILE 1838Ca 0.00 2.18 -0.27 0.00 0.56 0.00 0.00 62.75 65.22 2b0h n ILE 1838Cb 0.00 -6.71 -0.05 0.00 -0.75 0.00 0.00 39.64 32.13 2b0h n ILE 1838CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2b0h s ASP 1839N -1.20 5.63 0.00 4.38 1.01 -1.26 -4.99 116.67 120.24 2b0h s ASP 1839Ca -0.12 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.08 2b0h s ASP 1839Cb 0.01 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.42 2b0h s ASP 1839CO 0.77 0.09 1.49 -2.65 0.21 0.00 0.00 175.17 175.07 2b0h n PRO 1840N -0.22 0.80 -4.14 8.23 -0.02 -1.26 -4.76 135.00 133.62 2b0h n PRO 1840Ca -0.08 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.26 2b0h n PRO 1840Cb 0.54 -1.10 -0.11 0.00 -0.02 0.00 0.00 33.50 32.81 2b0h n PRO 1840CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2b0h s PHE 1841N 0.38 0.93 0.00 6.00 0.08 -1.26 -4.71 117.98 119.40 2b0h s PHE 1841Ca 0.00 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.42 2b0h s PHE 1841Cb 0.00 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.92 2b0h s PHE 1841CO 0.00 -0.04 0.00 0.25 -0.10 0.00 0.00 175.22 175.33 2b0h n THR 1842N 0.79 0.00 -1.53 0.64 -2.24 -1.26 -4.91 114.28 105.76 2b0h n THR 1842Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2b0h n THR 1842Cb 0.57 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.50 3.65 0.00 -0.78 2.81 -1.26 -4.83 117.12 116.21 2b0h n MET 1843Ca 0.00 -2.50 0.00 0.00 -1.81 0.00 0.00 57.70 53.39 2b0h n MET 1843Cb 0.00 -2.56 0.00 0.00 -0.71 0.00 0.00 33.22 29.95 2b0h n MET 1843CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2b0h n GLY 1844N 2.46 1.62 3.67 3.03 0.00 -1.26 -4.67 105.19 110.05 2b0h n GLY 1844Ca 0.65 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 46.48 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 6.16 0.00 1.61 1.11 -1.26 -4.74 116.67 115.54 2b0h s ASP 1845Ca 0.00 0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.89 2b0h s ASP 1845Cb 0.00 -2.11 0.00 0.00 1.07 0.00 0.00 42.92 41.88 2b0h s ASP 1845CO 0.00 0.08 0.00 -2.65 1.18 0.00 0.00 175.17 173.78 2b0h n PRO 1846N 4.14 1.81 -0.30 8.23 -0.02 -1.26 -4.83 135.00 142.77 2b0h n PRO 1846Ca -0.15 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.37 2b0h n PRO 1846Cb 0.52 0.00 0.16 0.00 -0.02 0.00 0.00 33.50 34.16 2b0h n PRO 1846CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2b0h n GLU 1847N 0.00 2.32 -0.74 -0.52 0.00 -1.26 -4.62 120.64 115.81 2b0h n GLU 1847Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 57.16 55.80 2b0h n GLU 1847Cb 0.00 -1.61 -0.12 0.00 0.00 0.00 0.00 31.44 29.71 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 0.55 2.51 2.00 -1.84 0.00 -1.26 -3.00 105.19 104.16 2b0h n GLY 1848Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2b0h n GLY 1848CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b0h n SER 1849N 2.50 -0.01 0.20 1.61 2.88 -1.26 -4.81 113.62 114.73 2b0h n SER 1849Ca 0.30 0.02 0.08 0.00 -1.33 0.00 0.00 58.87 57.94 2b0h n SER 1849Cb 0.69 0.02 0.61 0.00 -0.75 0.00 0.00 64.21 64.78 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2b0h h PHE 1850N 0.00 0.08 -0.02 0.66 3.57 -1.73 -1.87 116.94 117.62 2b0h h PHE 1850Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2b0h h PHE 1850Cb 0.00 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2b0h h PHE 1850CO 0.00 0.05 0.03 -0.39 -2.23 0.00 0.00 178.31 175.77 2b0h h VAL 1851N 0.08 0.39 -0.01 1.41 -1.51 -1.87 0.49 116.25 115.23 2b0h h VAL 1851Ca 0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.51 2b0h h VAL 1851Cb 0.08 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 2b0h h VAL 1851CO -0.01 0.00 -0.01 -0.78 -1.23 0.00 0.00 177.57 175.54 2b0h h ASP 1852N 0.00 0.02 -0.66 4.19 3.58 -1.67 -0.38 116.42 121.50 2b0h h ASP 1852Ca 0.01 -0.60 -0.01 0.00 0.42 0.00 0.00 57.03 56.85 2b0h h ASP 1852Cb 0.07 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 2b0h h ASP 1852CO -0.00 0.62 0.37 1.88 -2.88 0.00 0.00 179.24 179.23 2b0h h TYR 1853N -0.57 0.90 -0.11 0.28 0.05 -1.51 -1.55 116.97 114.47 2b0h h TYR 1853Ca -0.00 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.79 2b0h h TYR 1853Cb 0.61 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 38.00 2b0h h TYR 1853CO 0.13 0.63 -0.54 0.37 -1.05 0.00 0.00 178.16 177.70 2b0h h GLN 1854N 0.90 -0.58 -0.90 4.88 4.15 -0.89 0.06 115.11 122.73 2b0h h GLN 1854Ca 0.23 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.82 2b0h h GLN 1854Cb 0.02 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 2b0h h GLN 1854CO -0.04 -0.39 0.58 1.15 -1.93 0.00 0.00 178.83 178.20 2b0h h THR 1855N -0.60 0.88 0.48 2.39 2.02 -0.75 -1.18 112.91 116.15 2b0h h THR 1855Ca 0.03 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2b0h h THR 1855Cb 0.69 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2b0h h THR 1855CO -0.42 0.14 -0.23 0.74 0.37 0.00 0.00 175.52 176.12 2b0h h THR 1856N 0.78 0.29 0.00 3.16 2.02 -0.38 -2.96 112.91 115.83 2b0h h THR 1856Ca 0.44 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2b0h h THR 1856Cb 0.60 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2b0h h THR 1856CO -0.21 0.05 0.00 0.00 0.37 0.00 0.00 175.52 175.74 2b0h h MET 1857N -1.04 0.00 -0.10 6.66 -0.00 -0.82 -1.60 114.93 118.03 2b0h h MET 1857Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.48 2b0h h MET 1857Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.17 2b0h h MET 1857CO 0.11 0.00 -0.59 -0.39 -0.00 0.00 0.00 176.91 176.04 2b0h h VAL 1858N 0.00 1.36 -0.62 -0.10 -1.51 -1.32 0.68 116.25 114.75 2b0h h VAL 1858Ca 0.00 -1.92 -0.09 0.00 -1.23 0.00 0.00 66.70 63.46 2b0h h VAL 1858Cb 0.86 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.93 2b0h h VAL 1858CO 0.00 0.58 0.04 0.03 -1.23 0.00 0.00 177.57 176.98 2b0h h ARG 1859N 0.25 1.07 -0.35 5.19 2.47 -1.18 -0.33 114.38 121.49 2b0h h ARG 1859Ca -0.00 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.39 2b0h h ARG 1859Cb 1.10 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.30 2b0h h ARG 1859CO 0.10 1.02 0.20 1.15 0.56 0.00 0.00 179.97 182.99 2b0h h THR 1860N 0.98 1.14 -0.51 2.04 2.02 -1.09 0.14 112.91 117.63 2b0h h THR 1860Ca 0.18 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 67.02 2b0h h THR 1860Cb 0.51 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2b0h h THR 1860CO 0.02 0.14 0.32 0.00 0.37 0.00 0.00 175.52 176.37 2b0h h ALA 1861N 1.06 0.64 -0.79 6.16 0.00 -0.63 0.26 119.26 125.97 2b0h h ALA 1861Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2b0h h ALA 1861Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2b0h h ALA 1861CO -0.02 0.04 0.38 0.87 0.00 0.00 0.00 179.25 180.51 2b0h h LYS 1862N 0.63 1.13 -0.37 0.00 1.57 -0.81 0.21 116.57 118.94 2b0h h LYS 1862Ca 0.20 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2b0h h LYS 1862Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2b0h h LYS 1862CO -0.07 0.87 0.05 0.00 -0.57 0.00 0.00 179.45 179.73 2b0h h ALA 1863N 1.29 0.49 -0.64 3.86 0.00 0.04 0.50 119.26 124.80 2b0h h ALA 1863Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2b0h h ALA 1863Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2b0h h ALA 1863CO -0.03 0.20 0.36 0.82 0.00 0.00 0.00 179.25 180.60 2b0h h ILE 1864N 0.45 1.20 -0.06 0.00 2.04 -0.19 0.07 117.51 121.01 2b0h h ILE 1864Ca 0.11 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2b0h h ILE 1864Cb 0.37 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2b0h h ILE 1864CO 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 178.35 2b0h h ALA 1865N 1.18 0.04 -0.13 1.87 0.00 -0.22 0.25 119.26 122.25 2b0h h ALA 1865Ca 0.23 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2b0h h ALA 1865Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2b0h h ALA 1865CO -0.04 -0.50 -0.34 -0.24 0.00 0.00 0.00 179.25 178.13 2b0h h VAL 1866N -0.01 1.28 0.23 0.00 3.04 -0.79 -0.93 116.25 119.08 2b0h h VAL 1866Ca 0.03 -1.35 -0.01 0.00 -1.01 0.00 0.00 66.70 64.36 2b0h h VAL 1866Cb 0.06 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 2b0h h VAL 1866CO -0.07 0.41 -0.11 0.74 -1.01 0.00 0.00 177.57 177.53 2b0h h THR 1867N 0.23 0.83 -0.31 3.17 2.02 -0.39 -0.14 112.91 118.31 2b0h h THR 1867Ca 0.03 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 2b0h h THR 1867Cb 0.71 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2b0h h THR 1867CO 0.05 0.11 0.04 -0.37 0.37 0.00 0.00 175.52 175.72 2b0h h VAL 1868N -0.59 1.17 0.00 3.16 -1.51 -0.41 -0.28 116.25 117.79 2b0h h VAL 1868Ca -0.03 -0.64 -0.08 0.00 -1.23 0.00 0.00 66.70 64.72 2b0h h VAL 1868Cb 0.43 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 2b0h h VAL 1868CO 0.05 0.22 -0.39 0.06 -1.23 0.00 0.00 177.57 176.28 2b0h h GLN 1869N 0.46 0.00 -0.29 5.19 3.07 -1.10 -2.60 115.11 119.84 2b0h h GLN 1869Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.68 2b0h h GLN 1869Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 2b0h h GLN 1869CO 0.00 0.39 -0.47 0.93 0.09 0.00 0.00 178.83 179.78 2b0h h GLU 1870N 0.00 0.76 -0.99 0.06 5.08 0.37 -2.73 114.58 117.13 2b0h h GLU 1870Ca -0.00 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 2b0h h GLU 1870Cb 1.13 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2b0h h GLU 1870CO 0.05 1.06 0.65 0.52 -1.00 0.00 0.00 179.01 180.29 2b0h h MET 1871N 0.60 1.21 0.00 2.33 2.86 -0.73 0.59 114.93 121.80 2b0h h MET 1871Ca 0.03 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2b0h h MET 1871Cb 1.03 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2b0h h MET 1871CO 0.10 0.80 -0.62 -0.39 1.06 0.00 0.00 176.91 177.86 2b0h h VAL 1872N 1.25 1.37 0.12 -2.22 -1.51 -1.48 -2.61 116.25 111.17 2b0h h VAL 1872Ca 0.39 -2.19 -0.16 0.00 -1.23 0.00 0.00 66.70 63.51 2b0h h VAL 1872Cb 0.01 2.21 0.02 0.00 -2.13 0.00 0.00 31.29 31.39 2b0h h VAL 1872CO -0.12 0.61 -0.72 0.74 -1.23 0.00 0.00 177.57 176.85 2b0h h THR 1873N 0.00 1.54 -0.66 7.19 2.02 -0.88 -3.34 112.91 118.78 2b0h h THR 1873Ca -0.01 -2.51 -0.07 0.00 0.77 0.00 0.00 66.41 64.60 2b0h h THR 1873Cb 1.16 3.22 -0.03 0.00 -1.74 0.00 0.00 68.15 70.76 2b0h h THR 1873CO 0.08 0.70 0.15 0.11 0.37 0.00 0.00 175.52 176.93 2b0h h LYS 1874N -0.46 1.06 0.00 6.66 1.79 0.08 -3.02 116.57 122.69 2b0h h LYS 1874Ca -0.13 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2b0h h LYS 1874Cb 1.56 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 2b0h h LYS 1874CO 0.13 0.96 0.05 0.66 -1.08 0.00 0.00 179.45 180.17 2b0h h SER 1875N 0.99 0.00 1.42 0.86 4.64 -1.51 1.04 113.55 120.98 2b0h h SER 1875Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2b0h h SER 1875Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2b0h h SER 1875CO 0.00 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.74 2b0h h ASN 1876N 0.00 0.00 0.00 4.97 2.35 -1.68 -3.41 115.58 117.80 2b0h h ASN 1876Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2b0h h ASN 1876Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2b0h h ASN 1876CO 0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 2b0h n THR 1877N -2.47 0.00 -3.69 2.81 -2.24 0.31 -5.05 114.28 103.96 2b0h n THR 1877Ca 0.04 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 2b0h n THR 1877Cb 0.41 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 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 -4.12 5.44 0.06 3.42 0.01 0.33 -4.89 113.70 113.95 2b0h s SER 1878Ca 0.00 -1.85 0.25 0.00 1.31 0.00 0.00 55.95 55.66 2b0h s SER 1878Cb 0.00 -1.90 0.49 0.00 0.21 0.00 0.00 66.02 64.82 2b0h s SER 1878CO 0.00 -0.57 1.42 -0.81 0.41 0.00 0.00 173.24 173.69 2b0h n PRO 1879N 4.75 0.15 0.04 12.44 -0.04 -1.26 -3.56 135.00 147.52 2b0h n PRO 1879Ca -0.06 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.26 2b0h n PRO 1879Cb 0.42 -1.60 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.00 0.65 0.00 0.54 4.11 -1.90 -3.11 114.58 114.87 2b0h h GLU 1880Ca 0.00 -0.68 0.00 0.00 0.07 0.00 0.00 59.36 58.75 2b0h h GLU 1880Cb 0.62 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2b0h h GLU 1880CO 0.00 1.27 0.00 0.39 0.07 0.00 0.00 179.01 180.74 2b0h n GLU 1881N -3.84 0.11 0.15 1.06 1.02 -1.26 -2.23 120.64 115.66 2b0h n GLU 1881Ca -0.10 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.57 2b0h n GLU 1881Cb 0.86 -1.72 0.49 0.00 -0.02 0.00 0.00 31.44 31.05 2b0h n GLU 1881CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2b0h h LEU 1882N 0.00 0.00 0.64 -4.62 3.38 -1.71 -3.04 115.31 109.95 2b0h h LEU 1882Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2b0h h LEU 1882Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 2b0h h LEU 1882CO 0.00 0.00 -0.31 1.23 0.09 0.00 0.00 178.44 179.45 2b0h h GLY 1883N 2.81 -0.90 0.95 0.83 0.00 -1.63 -1.27 103.07 103.87 2b0h h GLY 1883Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.75 2b0h h GLY 1883CO 0.00 -0.33 0.48 -2.55 0.00 0.00 0.00 176.54 174.15 2b0h h PRO 1884N -1.15 0.67 -0.53 4.80 0.11 -1.79 -2.35 132.00 131.77 2b0h h PRO 1884Ca -0.09 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 2b0h h PRO 1884Cb 0.66 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2b0h h PRO 1884CO 0.14 0.45 0.16 -0.07 -0.21 0.00 0.00 178.00 178.47 2b0h h LEU 1885N 0.69 0.77 -0.43 2.35 3.38 -1.52 0.33 115.31 120.88 2b0h h LEU 1885Ca 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2b0h h LEU 1885Cb 0.38 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2b0h h LEU 1885CO -0.12 0.77 0.24 0.00 0.09 0.00 0.00 178.44 179.42 2b0h h ALA 1886N 1.03 0.55 -0.64 1.53 0.00 -0.73 0.36 119.26 121.35 2b0h h ALA 1886Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2b0h h ALA 1886Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2b0h h ALA 1886CO -0.01 0.07 0.19 -0.97 0.00 0.00 0.00 179.25 178.54 2b0h h ASN 1887N 0.56 0.91 -0.04 0.00 -0.73 -1.20 -1.48 115.58 113.61 2b0h h ASN 1887Ca 0.15 -0.16 -0.00 0.00 1.87 0.00 0.00 56.30 58.16 2b0h h ASN 1887Cb 0.05 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.40 2b0h h ASN 1887CO -0.02 0.86 0.02 -0.61 -0.37 0.00 0.00 177.43 177.31 2b0h h GLN 1888N 0.95 0.05 -0.37 6.67 5.75 0.27 0.24 115.11 128.66 2b0h h GLN 1888Ca 0.21 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 2b0h h GLN 1888Cb 0.28 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 2b0h h GLN 1888CO -0.01 0.10 0.15 1.25 -2.65 0.00 0.00 178.83 177.67 2b0h h LEU 1889N -0.01 0.19 -0.64 -2.39 6.46 -0.79 -1.27 115.31 116.84 2b0h h LEU 1889Ca 0.01 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 2b0h h LEU 1889Cb 0.06 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 2b0h h LEU 1889CO -0.00 0.15 0.39 0.74 -0.62 0.00 0.00 178.44 179.10 2b0h h THR 1890N 0.32 1.07 -0.37 1.05 2.02 -0.80 -0.68 112.91 115.51 2b0h h THR 1890Ca 0.17 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 2b0h h THR 1890Cb 0.12 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 2b0h h THR 1890CO -0.15 0.14 -0.37 -1.28 0.37 0.00 0.00 175.52 174.23 2b0h h SER 1891N 0.76 0.97 1.51 4.18 0.87 -0.13 -3.16 113.55 118.56 2b0h h SER 1891Ca 0.26 -0.47 -0.10 0.00 -1.23 0.00 0.00 61.79 60.25 2b0h h SER 1891Cb 0.04 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2b0h h SER 1891CO -0.11 1.24 -0.48 0.44 -0.53 0.00 0.00 176.83 177.38 2b0h h ASP 1892N 0.72 0.00 -0.53 6.23 5.19 -1.03 -3.07 116.42 123.93 2b0h h ASP 1892Ca 0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2b0h h ASP 1892Cb 0.96 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.45 2b0h h ASP 1892CO 0.09 0.48 0.31 0.22 -3.12 0.00 0.00 179.24 177.22 2b0h h TYR 1893N 0.00 0.72 -0.81 4.55 3.20 -1.11 0.00 116.97 123.52 2b0h h TYR 1893Ca -0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2b0h h TYR 1893Cb 1.37 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 2b0h h TYR 1893CO 0.00 0.51 0.54 0.78 -1.64 0.00 0.00 178.16 178.34 2b0h h GLY 1894N 0.71 1.14 0.90 1.82 0.00 -1.52 0.27 103.07 106.39 2b0h h GLY 1894Ca 0.19 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2b0h h GLY 1894CO -0.03 0.37 -0.15 -0.09 0.00 0.00 0.00 176.54 176.63 2b0h h ARG 1895N 1.04 -0.36 -0.23 4.80 2.43 -1.33 -1.80 114.38 118.93 2b0h h ARG 1895Ca 0.31 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 2b0h h ARG 1895Cb -0.03 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2b0h h ARG 1895CO -0.08 -0.24 0.14 1.25 -1.51 0.00 0.00 179.97 179.52 2b0h h LEU 1896N -0.38 0.28 -1.98 3.80 5.85 -0.31 -2.59 115.31 119.98 2b0h h LEU 1896Ca -0.02 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2b0h h LEU 1896Cb 0.32 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2b0h h LEU 1896CO 0.01 0.26 -0.10 0.00 -0.34 0.00 0.00 178.44 178.27 2b0h h ALA 1897N 1.03 1.29 0.00 1.25 0.00 -0.44 -2.05 119.26 120.35 2b0h h ALA 1897Ca 0.08 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2b0h h ALA 1897Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2b0h h ALA 1897CO -0.01 0.13 -0.91 0.77 0.00 0.00 0.00 179.25 179.22 2b0h h SER 1898N 0.00 0.00 1.40 0.00 0.02 -0.95 -3.16 113.55 110.86 2b0h h SER 1898Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2b0h h SER 1898Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2b0h h SER 1898CO 0.01 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 176.47 2b0h n GLN 1899N -3.23 0.23 0.21 3.45 1.13 -0.79 -3.14 117.38 115.24 2b0h n GLN 1899Ca -0.02 0.20 0.07 0.00 -1.94 0.00 0.00 57.00 55.31 2b0h n GLN 1899Cb 0.86 -1.77 0.46 0.00 0.11 0.00 0.00 30.24 29.90 2b0h n GLN 1899CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b0h h ALA 1900N 2.57 1.23 0.25 -1.58 0.00 -1.46 -2.65 119.26 117.61 2b0h h ALA 1900Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2b0h h ALA 1900Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2b0h h ALA 1900CO 0.00 0.36 -0.12 -0.22 0.00 0.00 0.00 179.25 179.28 2b0h h LYS 1901N 0.00 -0.32 0.00 0.00 3.64 -1.70 -2.60 116.57 115.59 2b0h h LYS 1901Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2b0h h LYS 1901Cb 0.64 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2b0h h LYS 1901CO 0.04 -0.11 -0.09 -1.00 -2.27 0.00 0.00 179.45 176.02 2b0h h PRO 1902N -1.05 0.00 -0.03 1.90 0.13 -1.73 -2.14 132.00 129.08 2b0h h PRO 1902Ca -0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.87 2b0h h PRO 1902Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2b0h h PRO 1902CO 0.06 0.09 -0.90 0.00 -0.23 0.00 0.00 178.00 177.02 2b0h h ALA 1903N 1.91 0.37 -0.22 -0.56 0.00 -1.56 -2.34 119.26 116.87 2b0h h ALA 1903Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 2b0h h ALA 1903Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2b0h h ALA 1903CO 0.01 0.77 -0.38 0.00 0.00 0.00 0.00 179.25 179.65 2b0h h ALA 1904N 0.72 0.93 0.00 0.00 0.00 -0.97 -0.87 119.26 119.07 2b0h h ALA 1904Ca -0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2b0h h ALA 1904Cb 1.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2b0h h ALA 1904CO 0.16 0.62 -0.77 -0.39 0.00 0.00 0.00 179.25 178.88 2b0h h VAL 1905N 0.41 0.38 -0.01 0.00 -1.51 -1.58 -3.26 116.25 110.69 2b0h h VAL 1905Ca 0.04 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 2b0h h VAL 1905Cb 0.85 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 2b0h h VAL 1905CO 0.07 0.22 -0.31 0.00 -1.23 0.00 0.00 177.57 176.32 2b0h n ALA 1906N -2.23 3.20 -1.77 5.19 0.00 -0.88 -4.92 120.51 119.10 2b0h n ALA 1906Ca -0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.59 2b0h n ALA 1906Cb 0.68 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.50 3.09 -0.10 0.00 0.00 -0.35 -4.37 121.76 117.53 2b0h s ALA 1907Ca 0.23 1.08 0.18 0.00 0.00 0.00 0.00 51.96 53.45 2b0h s ALA 1907Cb 0.19 -3.43 0.31 0.00 0.00 0.00 0.00 23.12 20.18 2b0h s ALA 1907CO 0.53 -0.75 1.56 0.93 0.00 0.00 0.00 175.76 178.03 2b0h h GLU 1908N 2.34 0.00 -5.36 0.00 3.07 -1.91 -3.46 114.58 109.27 2b0h h GLU 1908Ca -0.49 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 57.97 2b0h h GLU 1908Cb 1.25 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.00 2b0h h GLU 1908CO 0.61 0.39 -0.74 -0.80 -1.40 0.00 0.00 179.01 177.07 2b0h s ASN 1909N -6.38 2.07 0.11 1.42 0.01 -1.26 -5.06 114.94 105.85 2b0h s ASN 1909Ca 0.03 -0.91 -0.27 0.00 -0.71 0.00 0.00 52.86 51.00 2b0h s ASN 1909Cb 0.08 -0.07 -0.10 0.00 0.41 0.00 0.00 41.25 41.57 2b0h s ASN 1909CO 0.71 -0.20 1.65 -0.08 -1.51 0.00 0.00 177.10 177.67 2b0h h GLU 1910N 3.11 -0.45 -0.92 -0.60 4.81 -1.94 -3.08 114.58 115.51 2b0h h GLU 1910Ca -0.39 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2b0h h GLU 1910Cb 1.20 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 2b0h h GLU 1910CO 0.57 -0.30 0.59 0.93 -0.73 0.00 0.00 179.01 180.07 2b0h h GLU 1911N -0.46 1.22 -0.04 1.92 5.08 -1.97 0.15 114.58 120.48 2b0h h GLU 1911Ca 0.02 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2b0h h GLU 1911Cb 0.46 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2b0h h GLU 1911CO -0.10 0.82 -0.21 0.82 -1.00 0.00 0.00 179.01 179.34 2b0h h ILE 1912N 1.25 0.49 -0.02 3.13 2.04 -1.86 0.52 117.51 123.07 2b0h h ILE 1912Ca 0.33 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.03 2b0h h ILE 1912Cb -0.12 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2b0h h ILE 1912CO -0.07 0.00 -0.72 1.23 0.00 0.00 0.00 178.15 178.59 2b0h h GLY 1913N -0.32 0.13 0.60 5.37 0.00 -1.43 -3.07 103.07 104.36 2b0h h GLY 1913Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2b0h h GLY 1913CO -0.22 0.17 -0.02 0.00 0.00 0.00 0.00 176.54 176.47 2b0h h ALA 1914N 1.18 0.05 -0.79 3.60 0.00 -0.18 -2.95 119.26 120.18 2b0h h ALA 1914Ca -0.02 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1914Cb 1.28 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2b0h h ALA 1914CO 0.10 -0.21 0.44 0.45 0.00 0.00 0.00 179.25 180.04 2b0h h HIS 1915N -0.34 0.80 -0.19 0.00 3.86 -0.02 -1.27 115.15 117.99 2b0h h HIS 1915Ca 0.01 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2b0h h HIS 1915Cb 0.47 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 2b0h h HIS 1915CO 0.08 0.33 -0.23 0.82 0.86 0.00 0.00 177.93 179.78 2b0h h ILE 1916N 0.75 0.42 0.00 2.45 2.04 -1.49 0.36 117.51 122.04 2b0h h ILE 1916Ca 0.38 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.18 2b0h h ILE 1916Cb 0.35 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2b0h h ILE 1916CO -0.25 0.00 -0.32 0.11 0.00 0.00 0.00 178.15 177.69 2b0h h LYS 1917N -0.26 0.00 -0.08 2.37 1.57 -1.14 -1.48 116.57 117.55 2b0h h LYS 1917Ca 0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 2b0h h LYS 1917Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2b0h h LYS 1917CO -0.34 0.32 -0.80 0.45 -0.57 0.00 0.00 179.45 178.50 2b0h h HIS 1918N 0.00 0.74 -0.17 -1.35 3.86 -0.57 -2.95 115.15 114.71 2b0h h HIS 1918Ca -0.00 -0.35 -0.20 0.00 -1.16 0.00 0.00 60.37 58.66 2b0h h HIS 1918Cb 0.63 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.00 2b0h h HIS 1918CO 0.00 1.14 -0.68 0.00 0.86 0.00 0.00 177.93 179.25 2b0h h ARG 1919N 0.35 0.76 0.00 2.45 2.47 -0.32 -2.58 114.38 117.51 2b0h h ARG 1919Ca -0.05 -0.59 -0.04 0.00 -1.26 0.00 0.00 59.98 58.04 2b0h h ARG 1919Cb 1.41 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.84 2b0h h ARG 1919CO 0.15 1.21 -0.17 -0.39 0.56 0.00 0.00 179.97 181.32 2b0h h VAL 1920N 0.48 0.55 -0.13 2.04 -1.51 -1.40 -2.15 116.25 114.12 2b0h h VAL 1920Ca -0.04 -0.82 -0.13 0.00 -1.23 0.00 0.00 66.70 64.48 2b0h h VAL 1920Cb 1.31 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 32.01 2b0h h VAL 1920CO 0.14 0.17 -0.48 -0.61 -1.23 0.00 0.00 177.57 175.56 2b0h h GLN 1921N 0.00 0.35 -0.35 5.19 5.75 -1.30 -2.57 115.11 122.17 2b0h h GLN 1921Ca -0.00 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 2b0h h GLN 1921Cb 0.53 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 2b0h h GLN 1921CO 0.02 0.76 0.17 0.93 -2.65 0.00 0.00 178.83 178.06 2b0h h GLU 1922N 0.28 0.50 0.00 1.69 5.08 -1.01 -2.71 114.58 118.41 2b0h h GLU 1922Ca 0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2b0h h GLU 1922Cb 0.96 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2b0h h GLU 1922CO 0.08 0.44 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.37 2b0h h LEU 1923N 0.43 0.00 -0.09 1.33 3.38 -1.35 -3.06 115.31 115.94 2b0h h LEU 1923Ca 0.12 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2b0h h LEU 1923Cb 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2b0h h LEU 1923CO -0.02 0.10 -0.20 1.23 0.09 0.00 0.00 178.44 179.64 2b0h h GLY 1924N 1.09 -0.21 2.00 0.83 0.00 -1.12 0.18 103.07 105.85 2b0h h GLY 1924Ca -0.00 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2b0h h GLY 1924CO 0.01 -0.18 -0.11 0.45 0.00 0.00 0.00 176.54 176.71 2b0h h HIS 1925N -0.28 0.00 0.03 5.60 3.86 -1.67 -3.19 115.15 119.49 2b0h h HIS 1925Ca 0.09 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.13 2b0h h HIS 1925Cb 0.41 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.89 2b0h h HIS 1925CO -0.29 0.11 -0.66 0.78 0.86 0.00 0.00 177.93 178.72 2b0h h GLY 1926N 3.78 0.45 0.95 2.45 0.00 -1.29 -2.90 103.07 106.50 2b0h h GLY 1926Ca -0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.43 2b0h h GLY 1926CO 0.01 0.74 0.05 0.00 0.00 0.00 0.00 176.54 177.34 2b0h h SER 1928N 0.55 1.05 -0.41 0.00 4.64 -1.66 -0.32 113.55 117.40 2b0h h SER 1928Ca 0.12 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 2b0h h SER 1928Cb 0.40 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2b0h h SER 1928CO 0.01 0.92 -0.15 0.00 -0.87 0.00 0.00 176.83 176.74 2b0h h ALA 1929N 1.23 0.58 0.06 5.18 0.00 -1.39 -2.77 119.26 122.15 2b0h h ALA 1929Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2b0h h ALA 1929Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2b0h h ALA 1929CO -0.02 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.95 2b0h h LEU 1930N 0.65 -0.07 -1.94 0.00 6.46 -0.83 -2.46 115.31 117.12 2b0h h LEU 1930Ca 0.10 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 2b0h h LEU 1930Cb 0.70 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2b0h h LEU 1930CO 0.05 0.24 -0.09 -0.37 -0.62 0.00 0.00 178.44 177.65 2b0h h VAL 1931N -0.38 0.86 -0.21 1.05 -1.51 -1.13 0.17 116.25 115.11 2b0h h VAL 1931Ca -0.01 -0.34 -0.04 0.00 -1.23 0.00 0.00 66.70 65.08 2b0h h VAL 1931Cb 0.34 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2b0h h VAL 1931CO 0.01 0.09 -0.01 0.74 -1.23 0.00 0.00 177.57 177.18 2b0h h THR 1932N 0.00 1.26 -0.03 7.19 2.02 -1.33 -2.27 112.91 119.75 2b0h h THR 1932Ca -0.00 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 66.14 2b0h h THR 1932Cb 0.19 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2b0h h THR 1932CO 0.01 0.28 -0.61 0.11 0.37 0.00 0.00 175.52 175.68 2b0h h LYS 1933N 0.12 0.11 -0.02 6.66 1.79 -0.73 0.10 116.57 124.60 2b0h h LYS 1933Ca 0.06 -0.08 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2b0h h LYS 1933Cb 0.41 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 2b0h h LYS 1933CO 0.01 0.68 -0.02 0.00 -1.08 0.00 0.00 179.45 179.05 2b0h h ALA 1934N 1.30 0.00 -0.48 3.86 0.00 -0.67 0.23 119.26 123.49 2b0h h ALA 1934Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2b0h h ALA 1934Cb 1.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2b0h h ALA 1934CO 0.09 -0.51 -0.19 0.78 0.00 0.00 0.00 179.25 179.42 2b0h h GLY 1935N -0.03 1.04 0.97 0.00 0.00 -1.22 -1.40 103.07 102.43 2b0h h GLY 1935Ca 0.02 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 2b0h h GLY 1935CO -0.04 0.81 0.18 0.00 0.00 0.00 0.00 176.54 177.49 2b0h h ALA 1936N 0.94 0.39 -0.29 3.60 0.00 -0.57 -1.55 119.26 121.79 2b0h h ALA 1936Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2b0h h ALA 1936Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2b0h h ALA 1936CO 0.06 -0.10 -0.22 1.25 0.00 0.00 0.00 179.25 180.23 2b0h h LEU 1937N 0.39 0.54 -1.64 0.00 5.85 -0.52 -0.79 115.31 119.14 2b0h h LEU 1937Ca 0.11 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2b0h h LEU 1937Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2b0h h LEU 1937CO -0.02 0.77 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.21 2b0h h GLN 1938N 0.48 0.19 0.00 1.25 4.15 -0.80 -0.62 115.11 119.76 2b0h h GLN 1938Ca 0.07 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2b0h h GLN 1938Cb 0.65 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.31 2b0h h GLN 1938CO 0.05 0.24 -0.55 0.00 -1.93 0.00 0.00 178.83 176.63 2b0h n SER 1940N -2.49 0.70 0.11 0.00 7.64 -0.29 -4.94 113.62 114.34 2b0h n SER 1940Ca 0.03 -2.76 0.12 0.00 1.01 0.00 0.00 58.87 57.27 2b0h n SER 1940Cb 0.49 -0.63 0.46 0.00 -1.01 0.00 0.00 64.21 63.52 2b0h n SER 1940CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2b0h n PRO 1941N 1.68 0.19 0.00 1.43 -0.02 -0.88 -2.21 135.00 135.19 2b0h n PRO 1941Ca 0.24 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 2b0h n PRO 1941Cb 0.49 -1.82 0.47 0.00 -0.02 0.00 0.00 33.50 32.63 2b0h n PRO 1941CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2b0h n SER 1942N -2.16 1.41 -4.32 2.55 3.41 -1.26 -4.75 113.62 108.50 2b0h n SER 1942Ca 0.03 -1.34 -0.41 0.00 -0.26 0.00 0.00 58.87 56.88 2b0h n SER 1942Cb 0.27 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.14 5.77 0.44 4.04 1.01 -0.94 -4.91 116.67 119.95 2b0h s ASP 1943Ca 0.34 -1.33 0.23 0.00 0.71 0.00 0.00 52.55 52.50 2b0h s ASP 1943Cb 0.20 -2.04 1.01 0.00 1.01 0.00 0.00 42.92 43.11 2b0h s ASP 1943CO 0.39 -0.52 1.88 1.62 0.21 0.00 0.00 175.17 178.75 2b0h h VAL 1944N 5.95 0.69 -0.48 -1.27 3.04 -1.86 -3.07 116.25 119.26 2b0h h VAL 1944Ca -0.25 -1.05 0.07 0.00 -1.01 0.00 0.00 66.70 64.46 2b0h h VAL 1944Cb 1.09 1.67 -0.06 0.00 -2.01 0.00 0.00 31.29 31.99 2b0h h VAL 1944CO 0.76 0.24 0.16 1.88 -1.01 0.00 0.00 177.57 179.59 2b0h h TYR 1945N 0.00 0.27 -0.39 3.17 0.05 -1.95 0.92 116.97 119.04 2b0h h TYR 1945Ca -0.00 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 2b0h h TYR 1945Cb 0.65 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 2b0h h TYR 1945CO 0.00 0.08 -0.28 1.15 -1.05 0.00 0.00 178.16 178.06 2b0h h THR 1946N 0.32 1.28 -0.54 -2.88 2.02 -1.89 -3.13 112.91 108.09 2b0h h THR 1946Ca 0.23 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 2b0h h THR 1946Cb 0.25 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2b0h h THR 1946CO -0.25 0.48 0.22 0.50 0.37 0.00 0.00 175.52 176.84 2b0h h LYS 1947N 0.71 0.81 -0.23 6.66 3.64 -1.27 -2.38 116.57 124.50 2b0h h LYS 1947Ca 0.08 -0.14 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2b0h h LYS 1947Cb 0.83 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 2b0h h LYS 1947CO 0.07 0.70 -0.16 0.87 -2.27 0.00 0.00 179.45 178.66 2b0h h LYS 1948N 0.74 -0.14 0.00 1.90 1.79 -0.81 -1.74 116.57 118.30 2b0h h LYS 1948Ca 0.18 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.61 2b0h h LYS 1948Cb 0.19 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2b0h h LYS 1948CO -0.02 -0.10 -0.22 0.93 -1.08 0.00 0.00 179.45 178.97 2b0h h GLU 1949N -0.15 0.00 0.17 3.15 5.08 -1.48 0.86 114.58 122.21 2b0h h GLU 1949Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2b0h h GLU 1949Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2b0h h GLU 1949CO -0.32 0.22 -0.08 1.25 -1.00 0.00 0.00 179.01 179.08 2b0h h LEU 1950N 0.00 -0.19 -0.46 1.33 6.46 -0.81 -0.07 115.31 121.57 2b0h h LEU 1950Ca -0.00 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 2b0h h LEU 1950Cb 0.42 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 2b0h h LEU 1950CO 0.03 0.06 0.20 0.40 -0.62 0.00 0.00 178.44 178.51 2b0h h ILE 1951N -0.45 1.20 -0.88 4.05 5.03 -1.01 -2.22 117.51 123.22 2b0h h ILE 1951Ca -0.02 -0.58 0.09 0.00 -0.12 0.00 0.00 64.86 64.23 2b0h h ILE 1951Cb 0.35 0.72 -0.06 0.00 -3.03 0.00 0.00 36.82 34.80 2b0h h ILE 1951CO 0.04 0.22 0.57 -0.33 -0.68 0.00 0.00 178.15 177.97 2b0h h GLU 1952N 0.60 0.86 -0.00 2.37 4.39 -0.75 -1.79 114.58 120.26 2b0h h GLU 1952Ca 0.16 -0.05 -0.26 0.00 0.34 0.00 0.00 59.36 59.55 2b0h h GLU 1952Cb 0.16 -0.19 0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2b0h h GLU 1952CO -0.02 0.57 -1.02 0.00 -1.16 0.00 0.00 179.01 177.38 2b0h h ALA 1954N 0.49 0.48 0.00 0.00 0.00 -0.85 0.10 119.26 119.47 2b0h h ALA 1954Ca -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2b0h h ALA 1954Cb 1.67 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2b0h h ALA 1954CO 0.19 0.26 -0.06 0.07 0.00 0.00 0.00 179.25 179.71 2b0h h ARG 1955N 0.44 0.00 0.04 0.00 0.11 -1.44 -0.07 114.38 113.45 2b0h h ARG 1955Ca 0.10 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.12 2b0h h ARG 1955Cb 0.49 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.57 2b0h h ARG 1955CO 0.02 0.06 -0.26 0.00 0.10 0.00 0.00 179.97 179.90 2b0h h ARG 1956N 0.00 0.08 0.00 0.08 3.08 -1.37 -3.34 114.38 112.91 2b0h h ARG 1956Ca -0.00 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2b0h h ARG 1956Cb 0.19 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2b0h h ARG 1956CO 0.01 1.07 -0.33 -0.39 -1.07 0.00 0.00 179.97 179.26 2b0h h VAL 1957N -0.82 1.14 0.00 2.04 -1.51 -0.56 -1.84 116.25 114.70 2b0h h VAL 1957Ca -0.05 -1.16 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 2b0h h VAL 1957Cb 1.19 1.64 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2b0h h VAL 1957CO 0.04 0.32 -0.10 -1.28 -1.23 0.00 0.00 177.57 175.32 2b0h h SER 1958N 0.00 0.00 -0.24 4.19 0.87 -1.16 0.16 113.55 117.37 2b0h h SER 1958Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 2b0h h SER 1958Cb 0.62 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2b0h h SER 1958CO 0.04 0.10 -0.55 -0.33 -0.53 0.00 0.00 176.83 175.56 2b0h h GLU 1959N 0.00 0.83 -0.32 2.24 4.39 -1.44 -2.21 114.58 118.06 2b0h h GLU 1959Ca -0.00 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 59.08 2b0h h GLU 1959Cb 0.32 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 2b0h h GLU 1959CO 0.01 1.16 -0.19 0.87 -1.16 0.00 0.00 179.01 179.71 2b0h h LYS 1960N 0.64 0.59 -0.16 2.33 6.56 -1.01 0.14 116.57 125.66 2b0h h LYS 1960Ca 0.01 -0.21 -0.08 0.00 -1.06 0.00 0.00 60.65 59.31 2b0h h LYS 1960Cb 1.15 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.75 2b0h h LYS 1960CO 0.12 0.74 -0.28 -0.39 -2.06 0.00 0.00 179.45 177.59 2b0h h VAL 1961N 0.53 1.26 0.00 0.50 -1.51 -1.08 -1.36 116.25 114.58 2b0h h VAL 1961Ca 0.08 -1.22 -0.08 0.00 -1.23 0.00 0.00 66.70 64.25 2b0h h VAL 1961Cb 0.62 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 2b0h h VAL 1961CO 0.04 0.37 -0.39 0.28 -1.23 0.00 0.00 177.57 176.65 2b0h h SER 1962N 0.26 0.00 0.31 4.19 0.02 -0.65 -2.23 113.55 115.46 2b0h h SER 1962Ca 0.04 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2b0h h SER 1962Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2b0h h SER 1962CO 0.05 0.39 -0.51 0.45 -1.14 0.00 0.00 176.83 176.06 2b0h h HIS 1963N 0.00 0.28 -0.42 3.45 -0.00 0.29 -0.80 115.15 117.94 2b0h h HIS 1963Ca -0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.22 2b0h h HIS 1963Cb 0.89 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 2b0h h HIS 1963CO 0.00 0.70 0.07 0.28 -0.00 0.00 0.00 177.93 178.97 2b0h h VAL 1964N 0.18 1.24 -0.42 2.45 2.07 -0.89 0.67 116.25 121.57 2b0h h VAL 1964Ca 0.01 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2b0h h VAL 1964Cb 0.97 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2b0h h VAL 1964CO 0.08 0.31 0.28 -0.07 0.02 0.00 0.00 177.57 178.18 2b0h h LEU 1965N 0.56 0.43 0.01 2.57 3.38 -1.03 -1.11 115.31 120.12 2b0h h LEU 1965Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2b0h h LEU 1965Cb 0.38 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2b0h h LEU 1965CO 0.01 0.31 -0.23 0.00 0.09 0.00 0.00 178.44 178.62 2b0h h ALA 1966N 1.75 0.01 -0.35 1.53 0.00 -0.78 -3.12 119.26 118.30 2b0h h ALA 1966Ca 0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2b0h h ALA 1966Cb 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2b0h h ALA 1966CO -0.04 0.07 0.21 0.00 0.00 0.00 0.00 179.25 179.49 2b0h h ALA 1967N 0.20 0.44 -0.11 0.00 0.00 -0.58 -2.18 119.26 117.02 2b0h h ALA 1967Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2b0h h ALA 1967Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2b0h h ALA 1967CO 0.04 -0.06 -0.32 -0.07 0.00 0.00 0.00 179.25 178.85 2b0h h LEU 1968N 0.45 0.22 -3.13 0.00 -0.00 -1.36 -2.52 115.31 108.97 2b0h h LEU 1968Ca 0.12 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.90 2b0h h LEU 1968Cb 0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 2b0h h LEU 1968CO -0.02 0.54 0.04 0.00 -0.00 0.00 0.00 178.44 178.99 2b0h n GLN 1969N -4.11 4.06 0.00 1.13 6.02 -1.04 -4.03 117.38 119.42 2b0h n GLN 1969Ca -0.01 -2.58 0.14 0.00 -0.01 0.00 0.00 57.00 54.55 2b0h n GLN 1969Cb 0.41 -2.12 0.63 0.00 1.02 0.00 0.00 30.24 30.18 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 0.42 2.63 -2.51 -1.58 0.00 -0.85 -4.80 120.51 113.83 2b0h n ALA 1970Ca 0.24 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 2b0h n ALA 1970Cb 1.06 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 2b0h n ALA 1970CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2b0h s GLY 1971N -2.05 1.20 0.27 0.00 0.00 -1.26 -4.81 107.32 100.67 2b0h s GLY 1971Ca 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2b0h s GLY 1971CO 0.36 2.56 0.00 0.70 0.00 0.00 0.00 173.10 176.72 2b0h n ASN 1972N 8.29 -4.40 -0.91 1.64 3.02 -1.26 -5.18 115.26 116.46 2b0h n ASN 1972Ca 0.13 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.38 2b0h n ASN 1972Cb 0.49 -2.44 0.14 0.00 -0.61 0.00 0.00 39.78 37.36 2b0h n ASN 1972CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53