#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b0h s ILE 1838N 0.00 -0.04 0.19 -0.61 2.07 -1.26 -5.14 121.20 116.41 2b0h s ILE 1838Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 2b0h s ILE 1838Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 2b0h s ILE 1838CO 0.00 0.00 1.52 -0.62 -1.91 0.00 0.00 174.94 173.93 2b0h s ASP 1839N 1.56 6.61 0.00 4.50 2.15 -1.26 -4.90 116.67 125.34 2b0h s ASP 1839Ca -0.09 2.63 0.31 0.00 0.43 0.00 0.00 52.55 55.83 2b0h s ASP 1839Cb -0.05 -2.60 1.75 0.00 -0.30 0.00 0.00 42.92 41.72 2b0h s ASP 1839CO -0.18 -0.78 2.16 -0.81 -0.17 0.00 0.00 175.17 175.39 2b0h n PRO 1840N 3.39 0.79 0.00 4.34 -0.04 -1.26 -2.72 135.00 139.49 2b0h n PRO 1840Ca 0.11 -0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 2b0h n PRO 1840Cb 0.39 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.50 2b0h n PRO 1840CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2b0h n PHE 1841N -1.09 0.00 -0.08 0.54 7.35 -1.26 -4.39 117.46 118.53 2b0h n PHE 1841Ca 0.20 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.77 2b0h n PHE 1841Cb 0.16 -0.07 -0.08 0.00 0.35 0.00 0.00 39.48 39.84 2b0h n PHE 1841CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 2b0h h THR 1842N 1.42 0.92 -3.01 -2.13 1.35 -1.92 -3.47 112.91 106.07 2b0h h THR 1842Ca 0.00 -1.82 -0.61 0.00 -0.55 0.00 0.00 66.41 63.42 2b0h h THR 1842Cb 0.61 1.87 -0.08 0.00 -1.73 0.00 0.00 68.15 68.81 2b0h h THR 1842CO 0.00 0.31 -0.59 -0.04 -0.25 0.00 0.00 175.52 174.95 2b0h s MET 1843N -2.12 2.90 0.00 4.72 -1.94 -1.26 -5.05 119.30 116.54 2b0h s MET 1843Ca -0.17 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.06 2b0h s MET 1843Cb 0.01 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.14 2b0h s MET 1843CO 0.45 0.54 0.00 0.41 -0.01 0.00 0.00 175.02 176.41 2b0h n GLY 1844N 0.17 -1.79 3.11 -0.03 0.00 -1.26 -4.94 105.19 100.46 2b0h n GLY 1844Ca -0.08 0.95 -0.33 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 4.43 0.56 1.61 1.01 -1.26 -4.97 116.67 118.05 2b0h s ASP 1845Ca 0.00 -1.25 0.34 0.00 0.71 0.00 0.00 52.55 52.36 2b0h s ASP 1845Cb 0.00 -1.60 1.56 0.00 1.01 0.00 0.00 42.92 43.89 2b0h s ASP 1845CO 0.00 -0.18 2.06 -0.65 0.21 0.00 0.00 175.17 176.61 2b0h h PRO 1846N 7.87 0.00 -0.62 8.23 0.11 -2.00 -1.25 132.00 144.34 2b0h h PRO 1846Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2b0h h PRO 1846Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2b0h h PRO 1846CO 0.51 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 2b0h n GLU 1847N -3.20 2.65 -1.27 1.05 0.28 -1.26 -3.49 120.64 115.41 2b0h n GLU 1847Ca -0.01 -2.25 -0.33 0.00 -0.16 0.00 0.00 57.16 54.41 2b0h n GLU 1847Cb 0.26 -1.56 0.11 0.00 1.43 0.00 0.00 31.44 31.68 2b0h n GLU 1847CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2b0h s GLY 1848N -0.95 2.19 0.00 -1.84 0.00 -0.47 -2.96 107.32 103.28 2b0h s GLY 1848Ca 0.41 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.93 2b0h s GLY 1848CO 0.26 1.21 0.00 -1.14 0.00 0.00 0.00 173.10 173.42 2b0h n SER 1849N -3.06 0.00 0.28 1.64 3.41 -1.26 -4.63 113.62 109.99 2b0h n SER 1849Ca 0.13 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.88 2b0h n SER 1849Cb 0.51 -0.18 0.81 0.00 -0.26 0.00 0.00 64.21 65.08 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2b0h h PHE 1850N 0.00 0.00 -0.57 7.33 3.57 -1.74 -2.56 116.94 122.98 2b0h h PHE 1850Ca 0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2b0h h PHE 1850Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2b0h h PHE 1850CO 0.00 0.07 0.38 -0.39 -2.23 0.00 0.00 178.31 176.14 2b0h h VAL 1851N 0.00 0.93 -0.02 1.41 -1.51 -1.82 0.93 116.25 116.17 2b0h h VAL 1851Ca -0.00 -0.15 -0.02 0.00 -1.23 0.00 0.00 66.70 65.29 2b0h h VAL 1851Cb 0.18 0.46 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 2b0h h VAL 1851CO 0.01 0.08 -0.08 -0.78 -1.23 0.00 0.00 177.57 175.57 2b0h h ASP 1852N 0.44 0.11 -0.65 4.19 3.58 -1.85 -1.77 116.42 120.46 2b0h h ASP 1852Ca 0.25 -0.65 -0.05 0.00 0.42 0.00 0.00 57.03 57.01 2b0h h ASP 1852Cb 0.43 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 2b0h h ASP 1852CO -0.07 0.74 0.22 1.88 -2.88 0.00 0.00 179.24 179.13 2b0h h TYR 1853N -0.52 1.03 0.35 0.28 0.05 -1.56 -0.65 116.97 115.95 2b0h h TYR 1853Ca -0.00 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 2b0h h TYR 1853Cb 0.74 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 2b0h h TYR 1853CO 0.15 0.83 -0.40 0.37 -1.05 0.00 0.00 178.16 178.05 2b0h h GLN 1854N 0.93 -0.76 -0.14 4.88 4.15 -0.86 -1.26 115.11 122.04 2b0h h GLN 1854Ca 0.21 0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.72 2b0h h GLN 1854Cb 0.27 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2b0h h GLN 1854CO -0.01 -0.51 0.10 1.15 -1.93 0.00 0.00 178.83 177.64 2b0h h THR 1855N -0.79 0.93 0.47 2.39 2.02 -1.11 -2.30 112.91 114.53 2b0h h THR 1855Ca -0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2b0h h THR 1855Cb 0.72 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2b0h h THR 1855CO -0.10 0.00 -0.23 0.74 0.37 0.00 0.00 175.52 176.31 2b0h h THR 1856N 0.01 0.19 0.00 3.16 2.02 -0.48 -3.29 112.91 114.52 2b0h h THR 1856Ca 0.07 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2b0h h THR 1856Cb 0.26 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2b0h h THR 1856CO -0.00 0.04 0.00 0.00 0.37 0.00 0.00 175.52 175.93 2b0h h MET 1857N -1.10 0.00 -0.22 6.66 -0.00 -1.08 -2.26 114.93 116.93 2b0h h MET 1857Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.56 2b0h h MET 1857Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.14 2b0h h MET 1857CO 0.11 0.00 -0.20 -0.39 -0.00 0.00 0.00 176.91 176.43 2b0h h VAL 1858N 0.00 1.24 -0.35 -0.10 -1.51 -1.55 -0.48 116.25 113.50 2b0h h VAL 1858Ca 0.00 -1.10 -0.12 0.00 -1.23 0.00 0.00 66.70 64.25 2b0h h VAL 1858Cb 0.82 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.27 2b0h h VAL 1858CO 0.00 0.35 -0.24 0.03 -1.23 0.00 0.00 177.57 176.48 2b0h h ARG 1859N 0.36 0.78 -0.57 5.19 2.47 -1.48 -2.15 114.38 118.98 2b0h h ARG 1859Ca 0.06 -0.37 0.01 0.00 -1.26 0.00 0.00 59.98 58.42 2b0h h ARG 1859Cb 0.56 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 2b0h h ARG 1859CO 0.04 1.00 0.37 1.15 0.56 0.00 0.00 179.97 183.09 2b0h h THR 1860N 0.57 1.12 -0.85 2.04 2.02 -1.35 0.86 112.91 117.32 2b0h h THR 1860Ca 0.07 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 67.04 2b0h h THR 1860Cb 0.80 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2b0h h THR 1860CO 0.07 0.14 0.53 0.00 0.37 0.00 0.00 175.52 176.63 2b0h h ALA 1861N 1.22 1.15 -0.44 6.16 0.00 -0.94 0.24 119.26 126.66 2b0h h ALA 1861Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2b0h h ALA 1861Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2b0h h ALA 1861CO -0.06 0.31 0.05 0.87 0.00 0.00 0.00 179.25 180.42 2b0h h LYS 1862N 1.00 0.74 -0.47 0.00 1.57 -0.71 0.22 116.57 118.92 2b0h h LYS 1862Ca 0.36 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2b0h h LYS 1862Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2b0h h LYS 1862CO -0.15 0.78 0.03 0.00 -0.57 0.00 0.00 179.45 179.54 2b0h h ALA 1863N 0.93 1.19 -0.09 3.86 0.00 -0.16 -1.46 119.26 123.53 2b0h h ALA 1863Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2b0h h ALA 1863Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2b0h h ALA 1863CO 0.01 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.61 2b0h h ILE 1864N 0.71 1.27 -0.66 0.00 2.04 -0.31 -2.68 117.51 117.88 2b0h h ILE 1864Ca 0.15 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2b0h h ILE 1864Cb 0.39 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 2b0h h ILE 1864CO 0.01 0.24 0.39 0.00 0.00 0.00 0.00 178.15 178.79 2b0h h ALA 1865N 0.70 0.87 -0.22 1.87 0.00 -0.63 0.25 119.26 122.10 2b0h h ALA 1865Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2b0h h ALA 1865Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2b0h h ALA 1865CO 0.01 0.10 -0.24 -0.24 0.00 0.00 0.00 179.25 178.88 2b0h h VAL 1866N 0.74 1.26 0.15 0.00 3.04 -1.32 -2.14 116.25 117.97 2b0h h VAL 1866Ca 0.28 -1.21 -0.01 0.00 -1.01 0.00 0.00 66.70 64.75 2b0h h VAL 1866Cb 0.10 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2b0h h VAL 1866CO -0.14 0.38 -0.07 0.74 -1.01 0.00 0.00 177.57 177.47 2b0h h THR 1867N 0.37 0.99 0.00 3.17 2.02 -0.86 -1.58 112.91 117.02 2b0h h THR 1867Ca 0.06 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2b0h h THR 1867Cb 0.63 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2b0h h THR 1867CO 0.05 0.18 -0.05 -0.37 0.37 0.00 0.00 175.52 175.69 2b0h h VAL 1868N -0.59 1.00 0.00 3.16 -1.51 -0.97 0.14 116.25 117.47 2b0h h VAL 1868Ca -0.02 -0.18 -0.16 0.00 -1.23 0.00 0.00 66.70 65.12 2b0h h VAL 1868Cb 0.45 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.68 2b0h h VAL 1868CO 0.03 0.05 -0.74 -0.61 -1.23 0.00 0.00 177.57 175.07 2b0h h GLN 1869N 0.00 0.00 -0.07 5.19 5.75 -1.27 -2.37 115.11 122.33 2b0h h GLN 1869Ca -0.00 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.32 2b0h h GLN 1869Cb 0.09 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.65 2b0h h GLN 1869CO 0.01 0.74 -0.66 0.93 -2.65 0.00 0.00 178.83 177.19 2b0h h GLU 1870N 0.00 0.58 -0.80 1.69 5.08 0.04 -2.98 114.58 118.20 2b0h h GLU 1870Ca -0.01 -0.53 0.09 0.00 -1.00 0.00 0.00 59.36 57.91 2b0h h GLU 1870Cb 1.32 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.63 2b0h h GLU 1870CO 0.10 1.15 0.45 0.52 -1.00 0.00 0.00 179.01 180.23 2b0h h MET 1871N 0.20 0.75 0.00 2.33 2.86 -0.62 0.56 114.93 121.01 2b0h h MET 1871Ca -0.06 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 2b0h h MET 1871Cb 1.32 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 2b0h h MET 1871CO 0.13 0.50 -0.60 -0.39 1.06 0.00 0.00 176.91 177.61 2b0h h VAL 1872N 0.77 1.28 -0.08 -2.22 -1.51 -1.53 -2.26 116.25 110.70 2b0h h VAL 1872Ca 0.38 -2.18 -0.17 0.00 -1.23 0.00 0.00 66.70 63.50 2b0h h VAL 1872Cb 0.33 2.22 0.01 0.00 -2.13 0.00 0.00 31.29 31.72 2b0h h VAL 1872CO -0.24 0.59 -0.60 0.74 -1.23 0.00 0.00 177.57 176.83 2b0h h THR 1873N 0.00 1.36 0.03 7.19 2.02 -0.88 -3.34 112.91 119.29 2b0h h THR 1873Ca -0.01 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.24 2b0h h THR 1873Cb 1.18 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2b0h h THR 1873CO 0.08 0.58 -0.01 0.11 0.37 0.00 0.00 175.52 176.65 2b0h h LYS 1874N 0.16 -0.04 -0.03 6.66 1.79 0.04 -3.24 116.57 121.91 2b0h h LYS 1874Ca -0.05 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2b0h h LYS 1874Cb 1.26 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2b0h h LYS 1874CO 0.12 0.27 0.31 0.66 -1.08 0.00 0.00 179.45 179.73 2b0h h SER 1875N -0.34 0.00 -0.02 0.86 4.64 -1.35 1.07 113.55 118.41 2b0h h SER 1875Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2b0h h SER 1875Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2b0h h SER 1875CO 0.01 0.00 -0.07 0.78 -0.87 0.00 0.00 176.83 176.67 2b0h h ASN 1876N 0.00 0.21 0.00 4.97 2.35 -1.69 -3.40 115.58 118.02 2b0h h ASN 1876Ca 0.02 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2b0h h ASN 1876Cb 0.63 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2b0h h ASN 1876CO -0.00 0.32 -0.15 0.35 -1.65 0.00 0.00 177.43 176.30 2b0h n THR 1877N -4.33 0.00 -3.63 2.81 -2.24 0.50 -5.02 114.28 102.37 2b0h n THR 1877Ca -0.01 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 2b0h n THR 1877Cb 0.22 -0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.77 5.55 0.06 3.42 0.01 0.34 -4.91 113.70 115.39 2b0h s SER 1878Ca 0.00 -2.00 0.25 0.00 1.31 0.00 0.00 55.95 55.51 2b0h s SER 1878Cb 0.00 -1.95 0.43 0.00 0.21 0.00 0.00 66.02 64.72 2b0h s SER 1878CO 0.00 -0.63 1.37 -0.81 0.41 0.00 0.00 173.24 173.58 2b0h n PRO 1879N 4.74 0.15 0.01 12.44 -0.04 -1.26 -3.13 135.00 147.91 2b0h n PRO 1879Ca -0.05 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2b0h n PRO 1879Cb 0.41 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 2b0h n PRO 1879CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b0h n GLU 1880N -1.80 0.64 0.09 0.54 1.02 -1.26 -3.55 120.64 116.33 2b0h n GLU 1880Ca 0.04 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 2b0h n GLU 1880Cb 0.39 -1.66 0.42 0.00 -0.02 0.00 0.00 31.44 30.57 2b0h n GLU 1880CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b0h n GLU 1881N -2.60 0.12 0.15 3.49 1.02 -1.26 -2.42 120.64 119.14 2b0h n GLU 1881Ca -0.10 0.42 0.13 0.00 -0.02 0.00 0.00 57.16 57.60 2b0h n GLU 1881Cb 0.74 -1.76 0.40 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.59 -4.62 3.38 -1.76 -3.32 115.31 109.58 2b0h h LEU 1882Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2b0h h LEU 1882Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2b0h h LEU 1882CO 0.00 0.00 -0.44 1.23 0.09 0.00 0.00 178.44 179.32 2b0h h GLY 1883N 3.69 -1.22 1.86 0.83 0.00 -1.70 -0.03 103.07 106.50 2b0h h GLY 1883Ca 0.00 0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 2b0h h GLY 1883CO 0.00 -0.39 0.04 -0.56 0.00 0.00 0.00 176.54 175.63 2b0h h PRO 1884N -0.99 0.18 -0.51 4.80 0.13 -1.81 -2.79 132.00 131.01 2b0h h PRO 1884Ca -0.08 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 2b0h h PRO 1884Cb 0.82 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 2b0h h PRO 1884CO 0.03 0.17 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.85 2b0h h LEU 1885N 0.19 0.93 -0.35 1.56 3.38 -1.57 0.18 115.31 119.62 2b0h h LEU 1885Ca 0.05 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2b0h h LEU 1885Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2b0h h LEU 1885CO -0.00 1.03 0.16 0.00 0.09 0.00 0.00 178.44 179.72 2b0h h ALA 1886N 0.93 0.46 -0.30 1.53 0.00 -0.74 0.09 119.26 121.23 2b0h h ALA 1886Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2b0h h ALA 1886Cb 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2b0h h ALA 1886CO 0.03 0.04 -0.19 -0.97 0.00 0.00 0.00 179.25 178.16 2b0h h ASN 1887N 0.43 0.54 -0.03 0.00 -1.24 -1.39 -1.75 115.58 112.14 2b0h h ASN 1887Ca 0.12 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 56.96 2b0h h ASN 1887Cb 0.15 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 2b0h h ASN 1887CO -0.01 0.74 0.01 -0.61 -1.29 0.00 0.00 177.43 176.27 2b0h h GLN 1888N 0.49 0.05 -0.40 6.67 5.75 -0.21 0.11 115.11 127.57 2b0h h GLN 1888Ca 0.08 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.60 2b0h h GLN 1888Cb 0.61 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 2b0h h GLN 1888CO 0.04 0.26 0.19 1.25 -2.65 0.00 0.00 178.83 177.93 2b0h h LEU 1889N -0.16 0.27 -0.60 -2.39 6.46 -0.90 -1.89 115.31 116.09 2b0h h LEU 1889Ca 0.01 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 2b0h h LEU 1889Cb 0.23 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 2b0h h LEU 1889CO 0.00 0.20 0.34 0.74 -0.62 0.00 0.00 178.44 179.10 2b0h h THR 1890N 0.39 1.00 0.03 1.05 2.02 -1.09 -0.82 112.91 115.49 2b0h h THR 1890Ca 0.17 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2b0h h THR 1890Cb 0.09 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2b0h h THR 1890CO -0.13 0.12 -0.01 0.28 0.37 0.00 0.00 175.52 176.15 2b0h h SER 1891N 0.65 -0.03 -0.54 4.18 0.02 -0.30 -2.33 113.55 115.20 2b0h h SER 1891Ca 0.26 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2b0h h SER 1891Cb 0.11 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2b0h h SER 1891CO -0.15 0.07 0.12 0.44 -1.14 0.00 0.00 176.83 176.18 2b0h h ASP 1892N -0.13 0.83 -0.61 3.07 3.32 -1.17 -2.46 116.42 119.26 2b0h h ASP 1892Ca -0.00 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 56.87 2b0h h ASP 1892Cb 0.12 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2b0h h ASP 1892CO 0.01 0.86 0.41 0.22 -1.72 0.00 0.00 179.24 179.01 2b0h h TYR 1893N 0.77 0.57 -0.84 4.55 3.20 -1.05 -0.36 116.97 123.81 2b0h h TYR 1893Ca 0.17 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2b0h h TYR 1893Cb 0.36 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.36 2b0h h TYR 1893CO 0.03 0.30 0.47 0.78 -1.64 0.00 0.00 178.16 178.09 2b0h h GLY 1894N 0.56 1.33 0.64 1.82 0.00 -0.92 0.15 103.07 106.66 2b0h h GLY 1894Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2b0h h GLY 1894CO -0.08 0.07 -0.03 3.21 0.00 0.00 0.00 176.54 179.72 2b0h h ARG 1895N 0.74 0.12 -0.24 4.80 -0.00 -1.10 -2.71 114.38 115.98 2b0h h ARG 1895Ca 0.42 -0.05 0.05 0.00 -0.50 0.00 0.00 59.98 59.91 2b0h h ARG 1895Cb 0.47 -0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.38 2b0h h ARG 1895CO -0.29 0.50 -0.10 1.25 0.00 0.00 0.00 179.97 181.33 2b0h h LEU 1896N -0.27 -0.34 -1.58 3.04 5.85 -0.66 -0.08 115.31 121.28 2b0h h LEU 1896Ca 0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2b0h h LEU 1896Cb 0.46 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2b0h h LEU 1896CO 0.01 -0.13 -0.20 0.00 -0.34 0.00 0.00 178.44 177.78 2b0h h ALA 1897N 1.15 1.24 0.12 1.25 0.00 -0.78 -2.85 119.26 119.40 2b0h h ALA 1897Ca 0.13 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 2b0h h ALA 1897Cb 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2b0h h ALA 1897CO -0.28 0.25 -0.87 0.77 0.00 0.00 0.00 179.25 179.11 2b0h h SER 1898N 0.00 0.39 0.54 0.00 0.02 -0.94 -3.26 113.55 110.30 2b0h h SER 1898Ca -0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 2b0h h SER 1898Cb 0.50 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2b0h h SER 1898CO 0.03 1.41 0.00 0.00 -1.14 0.00 0.00 176.83 177.12 2b0h n GLN 1899N -4.14 0.12 0.22 3.45 1.13 -0.14 -1.81 117.38 116.20 2b0h n GLN 1899Ca -0.16 0.40 0.07 0.00 -1.94 0.00 0.00 57.00 55.37 2b0h n GLN 1899Cb 0.80 -1.75 0.49 0.00 0.11 0.00 0.00 30.24 29.89 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 2.29 1.27 0.36 -1.58 0.00 -1.54 -2.16 119.26 117.89 2b0h h ALA 1900Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2b0h h ALA 1900Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2b0h h ALA 1900CO 0.00 0.34 -0.17 -0.22 0.00 0.00 0.00 179.25 179.20 2b0h h LYS 1901N 0.00 -0.47 0.00 0.00 1.63 -1.53 -2.36 116.57 113.85 2b0h h LYS 1901Ca -0.00 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 2b0h h LYS 1901Cb 0.59 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2b0h h LYS 1901CO 0.04 -0.17 -0.23 -1.35 -3.45 0.00 0.00 179.45 174.29 2b0h h PRO 1902N -0.99 0.00 -0.05 1.90 0.11 -1.72 -2.50 132.00 128.75 2b0h h PRO 1902Ca -0.05 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 2b0h h PRO 1902Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2b0h h PRO 1902CO 0.08 0.23 -0.54 0.00 -0.21 0.00 0.00 178.00 177.56 2b0h h ALA 1903N 1.77 1.00 -0.04 -0.75 0.00 -1.44 -2.44 119.26 117.36 2b0h h ALA 1903Ca -0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 2b0h h ALA 1903Cb 0.62 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2b0h h ALA 1903CO 0.03 0.68 -0.91 0.00 0.00 0.00 0.00 179.25 179.06 2b0h h ALA 1904N 1.33 0.32 0.00 0.00 0.00 -0.97 -2.75 119.26 117.19 2b0h h ALA 1904Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2b0h h ALA 1904Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2b0h h ALA 1904CO 0.08 0.74 -0.08 1.33 0.00 0.00 0.00 179.25 181.32 2b0h n VAL 1905N -3.83 0.39 0.41 0.00 0.24 -1.11 -3.03 118.33 111.40 2b0h n VAL 1905Ca -0.08 -0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.12 2b0h n VAL 1905Cb 0.81 -0.48 0.14 0.00 -1.47 0.00 0.00 33.84 32.84 2b0h n VAL 1905CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2b0h n ALA 1906N -1.70 2.41 -2.62 2.33 0.00 -0.92 -4.93 120.51 115.07 2b0h n ALA 1906Ca 0.06 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.24 2b0h n ALA 1906Cb 0.40 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.37 3.60 0.46 0.00 0.00 -1.04 -4.42 121.76 119.00 2b0h s ALA 1907Ca 0.28 -0.44 0.16 0.00 0.00 0.00 0.00 51.96 51.96 2b0h s ALA 1907Cb 0.17 -3.07 1.08 0.00 0.00 0.00 0.00 23.12 21.30 2b0h s ALA 1907CO 0.24 -0.87 2.03 1.05 0.00 0.00 0.00 175.76 178.21 2b0h h GLU 1908N 7.93 0.00 -5.71 0.00 4.11 -1.90 -3.42 114.58 115.58 2b0h h GLU 1908Ca -0.26 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.56 2b0h h GLU 1908Cb 1.12 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 2b0h h GLU 1908CO 0.79 0.15 -0.28 -0.80 0.07 0.00 0.00 179.01 178.94 2b0h s ASN 1909N -6.95 6.59 0.16 3.06 0.02 -1.26 -4.99 114.94 111.56 2b0h s ASN 1909Ca -0.04 0.69 -0.17 0.00 -1.02 0.00 0.00 52.86 52.32 2b0h s ASN 1909Cb 0.16 -2.20 0.07 0.00 0.02 0.00 0.00 41.25 39.29 2b0h s ASN 1909CO 0.68 0.20 1.69 -0.08 0.02 0.00 0.00 177.10 179.62 2b0h h GLU 1910N 5.80 0.04 -0.02 -0.60 4.81 -1.97 -2.80 114.58 119.84 2b0h h GLU 1910Ca -0.46 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2b0h h GLU 1910Cb 1.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2b0h h GLU 1910CO 0.69 0.02 -0.66 0.93 -0.73 0.00 0.00 179.01 179.26 2b0h h GLU 1911N 0.04 0.08 0.09 1.92 5.08 -1.95 -2.99 114.58 116.84 2b0h h GLU 1911Ca 0.17 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2b0h h GLU 1911Cb 0.25 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2b0h h GLU 1911CO -0.33 0.71 -0.25 0.82 -1.00 0.00 0.00 179.01 178.96 2b0h h ILE 1912N 0.05 0.44 -0.45 3.13 2.04 -1.79 0.35 117.51 121.28 2b0h h ILE 1912Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 2b0h h ILE 1912Cb 1.17 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2b0h h ILE 1912CO 0.09 0.00 0.01 1.23 0.00 0.00 0.00 178.15 179.49 2b0h h GLY 1913N -0.44 0.79 1.06 5.37 0.00 -1.57 -2.15 103.07 106.12 2b0h h GLY 1913Ca 0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 2b0h h GLY 1913CO -0.17 0.47 -0.28 0.00 0.00 0.00 0.00 176.54 176.56 2b0h h ALA 1914N 1.33 0.55 -0.73 3.60 0.00 -1.28 -2.75 119.26 119.98 2b0h h ALA 1914Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2b0h h ALA 1914Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2b0h h ALA 1914CO 0.01 0.57 0.24 0.45 0.00 0.00 0.00 179.25 180.53 2b0h h HIS 1915N 0.67 1.16 0.32 0.00 -0.00 -0.04 0.77 115.15 118.03 2b0h h HIS 1915Ca 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2b0h h HIS 1915Cb 0.85 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.90 2b0h h HIS 1915CO 0.06 0.91 -0.38 0.82 -0.00 0.00 0.00 177.93 179.35 2b0h h ILE 1916N 1.07 0.23 0.00 2.45 2.04 -1.29 0.28 117.51 122.29 2b0h h ILE 1916Ca 0.24 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.06 2b0h h ILE 1916Cb 0.28 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2b0h h ILE 1916CO -0.01 0.00 -0.20 0.11 0.00 0.00 0.00 178.15 178.05 2b0h h LYS 1917N -0.74 0.00 -0.24 2.37 1.57 -1.35 -0.76 116.57 117.43 2b0h h LYS 1917Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2b0h h LYS 1917Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2b0h h LYS 1917CO -0.10 0.20 -0.12 1.25 -0.57 0.00 0.00 179.45 180.11 2b0h h HIS 1918N 0.00 0.58 -0.04 -1.35 2.76 -0.24 -2.39 115.15 114.48 2b0h h HIS 1918Ca -0.00 -0.15 -0.18 0.00 -2.20 0.00 0.00 60.37 57.85 2b0h h HIS 1918Cb 0.35 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2b0h h HIS 1918CO 0.00 0.78 -0.75 0.00 -1.30 0.00 0.00 177.93 176.66 2b0h h ARG 1919N 0.22 0.25 0.00 5.26 2.47 0.16 -0.54 114.38 122.20 2b0h h ARG 1919Ca 0.05 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.44 2b0h h ARG 1919Cb 0.63 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 2b0h h ARG 1919CO 0.04 0.89 -0.54 -0.39 0.56 0.00 0.00 179.97 180.53 2b0h h VAL 1920N 0.17 1.24 -0.38 2.04 -1.51 -1.20 0.41 116.25 117.01 2b0h h VAL 1920Ca -0.03 -1.93 -0.16 0.00 -1.23 0.00 0.00 66.70 63.35 2b0h h VAL 1920Cb 1.32 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 32.56 2b0h h VAL 1920CO 0.12 0.53 -0.38 -0.61 -1.23 0.00 0.00 177.57 176.00 2b0h h GLN 1921N 0.00 0.93 -0.05 5.19 -0.00 -1.23 0.22 115.11 120.16 2b0h h GLN 1921Ca -0.01 -0.49 -0.01 0.00 -0.00 0.00 0.00 58.65 58.15 2b0h h GLN 1921Cb 1.04 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.54 2b0h h GLN 1921CO 0.07 1.14 -0.01 1.49 0.00 0.00 0.00 178.83 181.53 2b0h h GLU 1922N 0.74 0.10 -0.36 1.69 4.81 -0.59 -1.76 114.58 119.22 2b0h h GLU 1922Ca 0.06 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 2b0h h GLU 1922Cb 0.97 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2b0h h GLU 1922CO 0.09 0.41 -0.30 1.25 -0.73 0.00 0.00 179.01 179.74 2b0h h LEU 1923N -0.22 0.80 0.20 1.64 6.46 -0.26 -2.99 115.31 120.94 2b0h h LEU 1923Ca 0.01 -0.32 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 2b0h h LEU 1923Cb 0.37 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2b0h h LEU 1923CO 0.00 1.05 -0.30 1.23 -0.62 0.00 0.00 178.44 179.81 2b0h h GLY 1924N 0.94 -0.61 2.00 3.75 0.00 -0.13 0.57 103.07 109.60 2b0h h GLY 1924Ca 0.08 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2b0h h GLY 1924CO 0.07 -0.25 -0.01 1.12 0.00 0.00 0.00 176.54 177.48 2b0h h HIS 1925N -0.56 0.00 0.01 5.60 2.07 -1.41 -0.64 115.15 120.21 2b0h h HIS 1925Ca 0.01 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.49 2b0h h HIS 1925Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 2b0h h HIS 1925CO -0.23 0.01 -0.18 0.78 -3.07 0.00 0.00 177.93 175.24 2b0h h GLY 1926N 2.02 0.11 1.50 6.13 0.00 -1.09 -2.83 103.07 108.90 2b0h h GLY 1926Ca -0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2b0h h GLY 1926CO 0.00 0.20 -0.49 0.00 0.00 0.00 0.00 176.54 176.25 2b0h h SER 1928N 0.43 1.01 -0.16 0.00 0.87 -1.24 0.18 113.55 114.64 2b0h h SER 1928Ca 0.02 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.30 2b0h h SER 1928Cb 1.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2b0h h SER 1928CO 0.09 0.89 -0.36 0.00 -0.53 0.00 0.00 176.83 176.93 2b0h h ALA 1929N 1.25 0.81 0.28 6.23 0.00 -1.23 -2.61 119.26 124.00 2b0h h ALA 1929Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2b0h h ALA 1929Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b0h h ALA 1929CO -0.02 0.65 -0.14 1.25 0.00 0.00 0.00 179.25 180.99 2b0h h LEU 1930N 0.57 -0.32 -1.65 0.00 6.46 -0.33 -2.64 115.31 117.40 2b0h h LEU 1930Ca 0.06 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 2b0h h LEU 1930Cb 0.87 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 2b0h h LEU 1930CO 0.08 -0.12 -0.19 -0.37 -0.62 0.00 0.00 178.44 177.22 2b0h h VAL 1931N -0.50 1.08 -0.38 1.05 -1.51 -0.67 0.50 116.25 115.82 2b0h h VAL 1931Ca -0.04 -0.65 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 2b0h h VAL 1931Cb 0.38 1.36 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 2b0h h VAL 1931CO 0.06 0.18 0.16 0.74 -1.23 0.00 0.00 177.57 177.49 2b0h h THR 1932N 0.00 1.18 -0.01 7.19 2.02 -1.35 0.57 112.91 122.51 2b0h h THR 1932Ca -0.00 -0.54 -0.21 0.00 0.77 0.00 0.00 66.41 66.42 2b0h h THR 1932Cb 0.34 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2b0h h THR 1932CO 0.02 0.20 -0.88 0.11 0.37 0.00 0.00 175.52 175.34 2b0h h LYS 1933N 0.47 0.34 -0.37 6.66 1.79 -0.88 -0.80 116.57 123.77 2b0h h LYS 1933Ca 0.13 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2b0h h LYS 1933Cb 0.16 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2b0h h LYS 1933CO -0.01 1.03 0.24 0.00 -1.08 0.00 0.00 179.45 179.62 2b0h h ALA 1934N 0.85 0.47 -0.34 3.86 0.00 0.08 0.24 119.26 124.41 2b0h h ALA 1934Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 2b0h h ALA 1934Cb 1.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2b0h h ALA 1934CO 0.15 -0.05 -0.25 0.78 0.00 0.00 0.00 179.25 179.87 2b0h h GLY 1935N 0.50 0.75 0.86 0.00 0.00 -0.84 -0.96 103.07 103.38 2b0h h GLY 1935Ca 0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2b0h h GLY 1935CO -0.03 0.59 0.06 0.00 0.00 0.00 0.00 176.54 177.16 2b0h h ALA 1936N 1.12 0.27 0.00 3.60 0.00 -0.72 -1.26 119.26 122.26 2b0h h ALA 1936Ca 0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2b0h h ALA 1936Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2b0h h ALA 1936CO 0.06 -0.10 -0.36 1.25 0.00 0.00 0.00 179.25 180.10 2b0h h LEU 1937N 0.15 0.00 -0.73 0.00 5.85 -0.51 0.48 115.31 120.55 2b0h h LEU 1937Ca 0.06 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 2b0h h LEU 1937Cb 0.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2b0h h LEU 1937CO -0.00 0.36 -0.45 -0.61 -0.34 0.00 0.00 178.44 177.39 2b0h h GLN 1938N 0.00 0.42 0.09 1.25 -0.00 -0.85 -2.78 115.11 113.23 2b0h h GLN 1938Ca -0.00 -0.22 -0.30 0.00 -0.00 0.00 0.00 58.65 58.12 2b0h h GLN 1938Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.20 2b0h h GLN 1938CO 0.05 0.79 -1.60 0.00 0.00 0.00 0.00 178.83 178.07 2b0h s SER 1940N -6.78 4.63 0.16 0.00 0.01 0.16 -4.91 113.70 106.97 2b0h s SER 1940Ca -0.09 -3.44 0.22 0.00 1.31 0.00 0.00 55.95 53.95 2b0h s SER 1940Cb 0.07 -1.65 0.89 0.00 0.21 0.00 0.00 66.02 65.53 2b0h s SER 1940CO 0.83 -0.16 1.68 -2.65 0.41 0.00 0.00 173.24 173.35 2b0h n PRO 1941N 2.54 0.14 -0.18 12.44 -0.02 -1.06 -2.65 135.00 146.21 2b0h n PRO 1941Ca 0.13 0.30 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 2b0h n PRO 1941Cb 0.34 -1.73 0.21 0.00 -0.02 0.00 0.00 33.50 32.30 2b0h n PRO 1941CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2b0h n SER 1942N -1.98 2.12 -4.11 2.55 7.64 -1.26 -4.66 113.62 113.91 2b0h n SER 1942Ca 0.04 -1.95 -0.36 0.00 1.01 0.00 0.00 58.87 57.61 2b0h n SER 1942Cb 0.26 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.11 5.24 0.46 6.43 -1.08 -1.08 -4.93 116.67 120.59 2b0h s ASP 1943Ca 0.28 -2.24 0.26 0.00 -0.52 0.00 0.00 52.55 50.33 2b0h s ASP 1943Cb 0.15 -1.83 0.91 0.00 -1.46 0.00 0.00 42.92 40.69 2b0h s ASP 1943CO 0.20 -0.50 1.82 1.62 0.52 0.00 0.00 175.17 178.83 2b0h h VAL 1944N 6.10 0.38 -0.53 1.11 3.04 -1.88 -2.99 116.25 121.48 2b0h h VAL 1944Ca -0.10 -1.03 -0.10 0.00 -1.01 0.00 0.00 66.70 64.45 2b0h h VAL 1944Cb 1.02 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 2b0h h VAL 1944CO 0.70 0.16 -0.08 1.88 -1.01 0.00 0.00 177.57 179.23 2b0h h TYR 1945N 0.00 1.09 -0.89 3.17 0.05 -1.97 0.25 116.97 118.67 2b0h h TYR 1945Ca -0.00 -0.22 0.04 0.00 0.05 0.00 0.00 58.73 58.60 2b0h h TYR 1945Cb 0.76 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 2b0h h TYR 1945CO 0.00 1.02 0.58 1.15 -1.05 0.00 0.00 178.16 179.85 2b0h h THR 1946N 0.85 1.14 -0.46 -2.88 2.02 -1.91 -1.97 112.91 109.70 2b0h h THR 1946Ca 0.14 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 2b0h h THR 1946Cb 0.63 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2b0h h THR 1946CO 0.04 0.20 0.19 0.50 0.37 0.00 0.00 175.52 176.83 2b0h h LYS 1947N 1.11 0.69 -0.12 6.66 3.64 -1.33 -1.44 116.57 125.78 2b0h h LYS 1947Ca 0.36 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2b0h h LYS 1947Cb 0.02 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2b0h h LYS 1947CO -0.12 0.62 -0.10 0.87 -2.27 0.00 0.00 179.45 178.44 2b0h h LYS 1948N 0.60 -0.12 0.00 1.90 1.79 -0.48 -1.90 116.57 118.36 2b0h h LYS 1948Ca 0.15 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.58 2b0h h LYS 1948Cb 0.18 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2b0h h LYS 1948CO -0.01 -0.08 -0.26 0.93 -1.08 0.00 0.00 179.45 178.95 2b0h h GLU 1949N -0.12 0.00 0.19 3.15 5.08 -1.22 0.74 114.58 122.39 2b0h h GLU 1949Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2b0h h GLU 1949Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2b0h h GLU 1949CO -0.20 0.26 -0.09 1.25 -1.00 0.00 0.00 179.01 179.23 2b0h h LEU 1950N 0.00 -0.21 -0.46 1.33 6.46 -0.52 0.75 115.31 122.66 2b0h h LEU 1950Ca -0.00 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2b0h h LEU 1950Cb 0.50 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2b0h h LEU 1950CO 0.03 -0.07 0.17 0.40 -0.62 0.00 0.00 178.44 178.35 2b0h h ILE 1951N -0.34 1.21 0.00 4.05 5.03 -0.90 -0.84 117.51 125.72 2b0h h ILE 1951Ca -0.03 -0.67 -0.02 0.00 -0.12 0.00 0.00 64.86 64.02 2b0h h ILE 1951Cb 0.27 0.79 -0.00 0.00 -3.03 0.00 0.00 36.82 34.85 2b0h h ILE 1951CO 0.04 0.25 -0.11 -0.33 -0.68 0.00 0.00 178.15 177.32 2b0h h GLU 1952N 0.60 0.00 0.11 2.37 4.39 -0.73 -1.98 114.58 119.34 2b0h h GLU 1952Ca 0.15 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.54 2b0h h GLU 1952Cb 0.22 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2b0h h GLU 1952CO -0.01 0.11 -1.67 0.00 -1.16 0.00 0.00 179.01 176.28 2b0h h ALA 1954N -0.06 1.32 -0.04 0.00 0.00 -0.93 -1.47 119.26 118.08 2b0h h ALA 1954Ca -0.37 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2b0h h ALA 1954Cb 1.83 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2b0h h ALA 1954CO 0.03 0.52 0.04 0.07 0.00 0.00 0.00 179.25 179.92 2b0h h ARG 1955N 0.91 0.00 0.04 0.00 0.11 -1.54 -1.63 114.38 112.27 2b0h h ARG 1955Ca 0.22 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.06 2b0h h ARG 1955Cb 0.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 2b0h h ARG 1955CO -0.03 0.00 -1.20 0.00 0.10 0.00 0.00 179.97 178.84 2b0h h ARG 1956N 0.00 0.09 0.00 0.08 3.08 -1.44 -3.32 114.38 112.87 2b0h h ARG 1956Ca 0.02 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2b0h h ARG 1956Cb 0.10 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2b0h h ARG 1956CO -0.00 1.00 -0.67 -0.39 -1.07 0.00 0.00 179.97 178.84 2b0h h VAL 1957N 0.02 0.49 -0.49 2.04 -1.51 -1.18 -3.21 116.25 112.42 2b0h h VAL 1957Ca -0.10 -1.76 0.01 0.00 -1.23 0.00 0.00 66.70 63.62 2b0h h VAL 1957Cb 1.87 2.13 -0.02 0.00 -2.13 0.00 0.00 31.29 33.13 2b0h h VAL 1957CO 0.14 0.28 0.32 0.28 -1.23 0.00 0.00 177.57 177.37 2b0h h SER 1958N 0.00 0.53 1.28 4.19 0.02 -1.49 -0.16 113.55 117.93 2b0h h SER 1958Ca -0.04 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 2b0h h SER 1958Cb 1.30 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2b0h h SER 1958CO 0.04 0.38 -0.73 1.05 -1.14 0.00 0.00 176.83 176.43 2b0h h GLU 1959N 0.63 0.00 -0.03 3.45 4.11 -1.72 -3.28 114.58 117.74 2b0h h GLU 1959Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.53 2b0h h GLU 1959Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2b0h h GLU 1959CO -0.04 0.58 -0.39 0.87 0.07 0.00 0.00 179.01 180.11 2b0h h LYS 1960N 0.00 0.06 -0.38 1.06 1.57 -1.07 0.04 116.57 117.86 2b0h h LYS 1960Ca -0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2b0h h LYS 1960Cb 1.50 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 2b0h h LYS 1960CO 0.08 0.44 -0.06 -0.39 -0.57 0.00 0.00 179.45 178.95 2b0h h VAL 1961N 0.05 1.23 0.00 0.50 -1.51 -1.33 -1.46 116.25 113.74 2b0h h VAL 1961Ca 0.00 -1.00 -0.06 0.00 -1.23 0.00 0.00 66.70 64.42 2b0h h VAL 1961Cb 0.71 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 2b0h h VAL 1961CO 0.05 0.34 -0.27 0.28 -1.23 0.00 0.00 177.57 176.74 2b0h h SER 1962N 0.59 0.00 0.43 4.19 0.02 -1.30 -2.61 113.55 114.87 2b0h h SER 1962Ca 0.11 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 2b0h h SER 1962Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2b0h h SER 1962CO 0.02 0.27 -0.73 0.45 -1.14 0.00 0.00 176.83 175.70 2b0h h HIS 1963N 0.00 0.34 -0.54 3.45 -0.00 -0.02 -0.97 115.15 117.41 2b0h h HIS 1963Ca -0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 60.37 60.12 2b0h h HIS 1963Cb 0.79 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.13 2b0h h HIS 1963CO 0.00 0.89 -0.02 0.28 -0.00 0.00 0.00 177.93 179.09 2b0h h VAL 1964N 0.17 1.27 -0.06 2.45 2.07 -1.07 -0.72 116.25 120.35 2b0h h VAL 1964Ca -0.03 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.37 2b0h h VAL 1964Cb 1.30 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2b0h h VAL 1964CO 0.11 0.41 -0.02 -0.07 0.02 0.00 0.00 177.57 178.02 2b0h h LEU 1965N 0.85 -0.07 -0.56 2.57 3.38 -1.24 -2.27 115.31 117.97 2b0h h LEU 1965Ca 0.15 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2b0h h LEU 1965Cb 0.56 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2b0h h LEU 1965CO 0.03 -0.03 -0.30 0.00 0.09 0.00 0.00 178.44 178.24 2b0h h ALA 1966N 1.04 0.74 -0.83 1.53 0.00 -1.08 -1.71 119.26 118.95 2b0h h ALA 1966Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2b0h h ALA 1966Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2b0h h ALA 1966CO -0.07 0.66 0.48 0.00 0.00 0.00 0.00 179.25 180.33 2b0h h ALA 1967N 0.95 1.06 -0.25 0.00 0.00 -1.04 -2.66 119.26 117.31 2b0h h ALA 1967Ca 0.08 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2b0h h ALA 1967Cb 0.85 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2b0h h ALA 1967CO 0.07 0.54 -0.60 -0.07 0.00 0.00 0.00 179.25 179.19 2b0h h LEU 1968N 1.14 0.94 -3.21 0.00 4.07 -1.26 -3.14 115.31 113.86 2b0h h LEU 1968Ca 0.30 -0.53 -0.30 0.00 0.08 0.00 0.00 57.88 57.42 2b0h h LEU 1968Cb -0.02 -0.27 -0.16 0.00 1.08 0.00 0.00 40.66 41.29 2b0h h LEU 1968CO -0.05 1.33 0.39 0.00 -1.08 0.00 0.00 178.44 179.02 2b0h n GLN 1969N -3.99 1.74 -1.51 1.13 6.02 -0.66 -4.39 117.38 115.72 2b0h n GLN 1969Ca -0.05 -1.65 -0.33 0.00 -0.01 0.00 0.00 57.00 54.97 2b0h n GLN 1969Cb 0.66 -1.65 0.06 0.00 1.02 0.00 0.00 30.24 30.33 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 -0.19 6.07 -1.00 -1.58 0.00 -1.02 -4.96 120.51 117.82 2b0h n ALA 1970Ca 0.32 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 50.18 2b0h n ALA 1970Cb 0.95 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.85 -1.06 0.23 0.00 0.00 -1.26 -4.84 105.19 97.41 2b0h n GLY 1971Ca 0.58 -1.60 0.09 0.00 0.00 0.00 0.00 46.02 45.09 2b0h n GLY 1971CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2b0h h ASN 1972N -0.03 0.00 -0.02 1.61 -1.07 -1.99 -3.53 115.58 110.54 2b0h h ASN 1972Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2b0h h ASN 1972Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2b0h h ASN 1972CO 0.00 0.21 0.00 -1.14 0.07 0.00 0.00 177.43 176.57