#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 0.13 0.26 -0.61 2.07 -1.26 -5.14 121.20 116.65 2b0h s ILE 1838Ca 0.00 -1.08 -0.30 0.00 -1.41 0.00 0.00 60.65 57.86 2b0h s ILE 1838Cb 0.00 -0.72 -0.10 0.00 0.13 0.00 0.00 42.46 41.77 2b0h s ILE 1838CO 0.00 -0.59 1.46 -1.81 -1.91 0.00 0.00 174.94 172.08 2b0h s ASP 1839N -1.93 6.62 0.00 4.50 1.01 -1.26 -4.88 116.67 120.73 2b0h s ASP 1839Ca -0.08 2.71 0.00 0.00 0.71 0.00 0.00 52.55 55.89 2b0h s ASP 1839Cb -0.04 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2b0h s ASP 1839CO -0.03 -0.73 0.38 -0.81 0.21 0.00 0.00 175.17 174.19 2b0h n PRO 1840N 2.27 0.76 0.17 8.23 -0.04 -1.26 -3.39 135.00 141.74 2b0h n PRO 1840Ca 0.07 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2b0h n PRO 1840Cb 0.40 -1.37 0.12 0.00 -0.04 0.00 0.00 33.50 32.61 2b0h n PRO 1840CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2b0h h PHE 1841N 0.25 0.00 -0.01 0.54 0.04 -1.96 -3.15 116.94 112.65 2b0h h PHE 1841Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2b0h h PHE 1841Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2b0h h PHE 1841CO 0.00 0.00 -0.29 0.25 -0.60 0.00 0.00 178.31 177.67 2b0h n THR 1842N -2.90 0.00 -0.02 -1.55 -2.24 -1.22 -4.29 114.28 102.06 2b0h n THR 1842Ca 0.03 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 2b0h n THR 1842Cb 0.53 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 2b0h n THR 1842CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 2b0h h MET 1843N 0.95 -0.07 -5.95 -0.78 2.86 -1.80 -3.41 114.93 106.72 2b0h h MET 1843Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.18 2b0h h MET 1843Cb 0.50 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 2b0h h MET 1843CO 0.00 -0.02 1.16 0.20 1.06 0.00 0.00 176.91 179.32 2b0h s GLY 1844N -3.49 0.77 -0.19 8.32 0.00 -1.25 -4.94 107.32 106.54 2b0h s GLY 1844Ca -0.02 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 42.55 2b0h s GLY 1844CO 0.05 3.04 1.77 0.99 0.00 0.00 0.00 173.10 178.95 2b0h s ASP 1845N 6.29 6.21 0.03 1.64 1.01 -1.26 -4.85 116.67 125.74 2b0h s ASP 1845Ca 0.56 1.79 0.24 0.00 0.71 0.00 0.00 52.55 55.85 2b0h s ASP 1845Cb -0.03 -2.53 0.29 0.00 1.01 0.00 0.00 42.92 41.66 2b0h s ASP 1845CO -0.04 -1.37 1.25 -0.81 0.21 0.00 0.00 175.17 174.41 2b0h n PRO 1846N 7.86 0.13 -2.67 8.23 -0.04 -1.26 -4.99 135.00 142.26 2b0h n PRO 1846Ca 0.21 0.02 -0.20 0.00 -0.04 0.00 0.00 63.50 63.49 2b0h n PRO 1846Cb 0.45 -1.56 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2b0h n PRO 1846CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2b0h n GLU 1847N -1.73 -1.01 0.00 0.54 0.28 -1.26 -3.10 120.64 114.36 2b0h n GLU 1847Ca 0.04 0.67 0.00 0.00 -0.16 0.00 0.00 57.16 57.71 2b0h n GLU 1847Cb 0.38 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 32.10 2b0h n GLU 1847CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2b0h n GLY 1848N -0.44 0.21 1.75 -1.84 0.00 -1.26 -3.21 105.19 100.40 2b0h n GLY 1848Ca -0.09 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.93 2b0h n GLY 1848CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b0h n SER 1849N 3.45 4.59 0.00 1.61 3.41 -1.26 -4.61 113.62 120.81 2b0h n SER 1849Ca 0.00 -3.22 0.20 0.00 -0.26 0.00 0.00 58.87 55.59 2b0h n SER 1849Cb 0.00 -0.70 0.68 0.00 -0.26 0.00 0.00 64.21 63.93 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 2.52 0.01 -0.84 7.33 3.57 -1.51 -1.82 116.94 126.22 2b0h h PHE 1850Ca 0.20 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.82 2b0h h PHE 1850Cb 2.11 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.79 2b0h h PHE 1850CO 1.13 0.01 0.54 -0.39 -2.23 0.00 0.00 178.31 177.37 2b0h h VAL 1851N 0.01 0.87 0.05 1.41 -1.51 -1.81 0.26 116.25 115.52 2b0h h VAL 1851Ca 0.25 -0.23 -0.07 0.00 -1.23 0.00 0.00 66.70 65.42 2b0h h VAL 1851Cb 0.99 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 30.30 2b0h h VAL 1851CO -0.01 0.12 -0.30 -0.78 -1.23 0.00 0.00 177.57 175.38 2b0h h ASP 1852N 0.67 0.18 -0.89 4.19 3.58 -1.70 -2.89 116.42 119.55 2b0h h ASP 1852Ca 0.41 -0.96 -0.02 0.00 0.42 0.00 0.00 57.03 56.88 2b0h h ASP 1852Cb 0.63 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 2b0h h ASP 1852CO -0.17 1.13 0.48 1.88 -2.88 0.00 0.00 179.24 179.68 2b0h h TYR 1853N -0.74 1.23 -0.22 0.28 0.05 -1.51 -0.25 116.97 115.81 2b0h h TYR 1853Ca -0.05 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.75 2b0h h TYR 1853Cb 1.21 -0.39 -0.06 0.00 1.01 0.00 0.00 36.73 38.50 2b0h h TYR 1853CO 0.24 0.86 -0.15 0.37 -1.05 0.00 0.00 178.16 178.43 2b0h h GLN 1854N 1.25 -0.14 -0.33 4.88 4.15 -0.59 -2.47 115.11 121.86 2b0h h GLN 1854Ca 0.31 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.62 2b0h h GLN 1854Cb 0.04 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2b0h h GLN 1854CO -0.05 -0.09 -0.29 1.15 -1.93 0.00 0.00 178.83 177.62 2b0h h THR 1855N -0.15 1.28 -0.10 2.39 2.02 -1.12 -3.07 112.91 114.16 2b0h h THR 1855Ca 0.13 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 2b0h h THR 1855Cb 0.34 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2b0h h THR 1855CO -0.31 0.46 -0.31 0.00 0.37 0.00 0.00 175.52 175.73 2b0h h THR 1856N 0.59 1.39 0.00 3.16 1.03 -0.87 -3.22 112.91 115.00 2b0h h THR 1856Ca 0.07 -1.64 -0.03 0.00 -0.01 0.00 0.00 66.41 64.80 2b0h h THR 1856Cb 0.79 2.18 -0.00 0.00 -1.07 0.00 0.00 68.15 70.04 2b0h h THR 1856CO 0.06 0.48 -0.14 0.00 -0.01 0.00 0.00 175.52 175.91 2b0h h MET 1857N -0.06 0.00 0.00 0.00 -0.00 -1.51 -2.39 114.93 110.97 2b0h h MET 1857Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.60 2b0h h MET 1857Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.51 2b0h h MET 1857CO 0.07 0.14 -0.44 -0.39 -0.00 0.00 0.00 176.91 176.28 2b0h h VAL 1858N 0.00 1.25 -0.25 -0.10 -1.51 -1.61 -1.28 116.25 112.75 2b0h h VAL 1858Ca -0.00 -1.55 -0.16 0.00 -1.23 0.00 0.00 66.70 63.76 2b0h h VAL 1858Cb 1.06 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2b0h h VAL 1858CO 0.02 0.43 -0.47 0.03 -1.23 0.00 0.00 177.57 176.35 2b0h h ARG 1859N 0.00 0.76 -0.67 5.19 2.47 -1.45 -3.04 114.38 117.64 2b0h h ARG 1859Ca -0.00 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2b0h h ARG 1859Cb 0.82 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.16 2b0h h ARG 1859CO 0.06 1.11 0.38 1.15 0.56 0.00 0.00 179.97 183.22 2b0h h THR 1860N 0.49 1.21 -0.95 2.04 2.02 -1.18 -2.29 112.91 114.25 2b0h h THR 1860Ca 0.01 -0.50 0.06 0.00 0.77 0.00 0.00 66.41 66.75 2b0h h THR 1860Cb 1.08 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 2b0h h THR 1860CO 0.11 0.22 0.62 0.00 0.37 0.00 0.00 175.52 176.84 2b0h h ALA 1861N 1.19 1.44 -0.43 6.16 0.00 -1.23 0.98 119.26 127.38 2b0h h ALA 1861Ca 0.24 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2b0h h ALA 1861Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2b0h h ALA 1861CO -0.04 0.43 -0.14 0.87 0.00 0.00 0.00 179.25 180.37 2b0h h LYS 1862N 1.12 0.78 -0.11 0.00 1.57 -1.33 0.04 116.57 118.66 2b0h h LYS 1862Ca 0.40 -0.28 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2b0h h LYS 1862Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2b0h h LYS 1862CO -0.14 0.88 -0.65 0.00 -0.57 0.00 0.00 179.45 178.97 2b0h h ALA 1863N 1.14 0.69 -0.25 3.86 0.00 -0.74 -1.76 119.26 122.20 2b0h h ALA 1863Ca 0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2b0h h ALA 1863Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2b0h h ALA 1863CO 0.04 0.73 0.03 0.82 0.00 0.00 0.00 179.25 180.88 2b0h h ILE 1864N 0.29 1.23 0.01 0.00 2.04 -0.60 -2.46 117.51 118.02 2b0h h ILE 1864Ca -0.01 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2b0h h ILE 1864Cb 1.19 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2b0h h ILE 1864CO 0.11 0.25 -0.09 0.00 0.00 0.00 0.00 178.15 178.42 2b0h h ALA 1865N 0.85 -0.11 -0.11 1.87 0.00 -0.83 -0.55 119.26 120.38 2b0h h ALA 1865Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2b0h h ALA 1865Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2b0h h ALA 1865CO 0.01 -0.59 0.00 -0.24 0.00 0.00 0.00 179.25 178.43 2b0h h VAL 1866N -0.16 1.08 0.16 0.00 3.04 -1.36 -0.23 116.25 118.77 2b0h h VAL 1866Ca 0.03 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.43 2b0h h VAL 1866Cb 0.20 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2b0h h VAL 1866CO -0.09 0.10 -0.08 0.74 -1.01 0.00 0.00 177.57 177.23 2b0h h THR 1867N 0.16 0.96 -0.05 3.17 2.02 -0.82 0.72 112.91 119.07 2b0h h THR 1867Ca 0.04 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2b0h h THR 1867Cb 0.11 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2b0h h THR 1867CO 0.00 0.15 -0.14 -0.37 0.37 0.00 0.00 175.52 175.53 2b0h h VAL 1868N -0.53 1.13 0.00 3.16 -1.51 -0.70 0.99 116.25 118.79 2b0h h VAL 1868Ca -0.02 -0.59 -0.14 0.00 -1.23 0.00 0.00 66.70 64.72 2b0h h VAL 1868Cb 0.41 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 2b0h h VAL 1868CO 0.04 0.18 -0.65 -0.61 -1.23 0.00 0.00 177.57 175.30 2b0h h GLN 1869N 0.08 0.00 -0.19 5.19 5.75 -0.93 -2.34 115.11 122.67 2b0h h GLN 1869Ca 0.02 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.35 2b0h h GLN 1869Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.85 2b0h h GLN 1869CO 0.02 0.65 -0.54 0.93 -2.65 0.00 0.00 178.83 177.23 2b0h h GLU 1870N 0.00 0.71 -0.74 1.69 5.08 0.73 -2.94 114.58 119.10 2b0h h GLU 1870Ca -0.01 -0.50 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2b0h h GLU 1870Cb 1.28 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2b0h h GLU 1870CO 0.08 1.12 0.45 0.52 -1.00 0.00 0.00 179.01 180.19 2b0h h MET 1871N 0.41 0.82 0.00 2.33 2.86 -0.60 0.53 114.93 121.29 2b0h h MET 1871Ca -0.01 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 2b0h h MET 1871Cb 1.16 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2b0h h MET 1871CO 0.12 0.55 -0.61 -0.39 1.06 0.00 0.00 176.91 177.63 2b0h h VAL 1872N 0.85 1.37 0.04 -2.22 -1.51 -1.52 -1.85 116.25 111.42 2b0h h VAL 1872Ca 0.31 -2.14 -0.25 0.00 -1.23 0.00 0.00 66.70 63.40 2b0h h VAL 1872Cb 0.11 2.18 0.02 0.00 -2.13 0.00 0.00 31.29 31.47 2b0h h VAL 1872CO -0.15 0.60 -0.99 0.74 -1.23 0.00 0.00 177.57 176.54 2b0h h THR 1873N 0.00 1.33 -0.22 7.19 2.02 -1.03 -3.33 112.91 118.86 2b0h h THR 1873Ca -0.01 -2.29 -0.12 0.00 0.77 0.00 0.00 66.41 64.77 2b0h h THR 1873Cb 1.13 2.57 -0.00 0.00 -1.74 0.00 0.00 68.15 70.11 2b0h h THR 1873CO 0.08 0.69 -0.31 0.11 0.37 0.00 0.00 175.52 176.46 2b0h h LYS 1874N 0.20 0.61 -0.02 6.66 1.79 0.00 -3.27 116.57 122.54 2b0h h LYS 1874Ca -0.14 -0.35 0.01 0.00 -2.18 0.00 0.00 60.65 57.99 2b0h h LYS 1874Cb 1.67 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 32.35 2b0h h LYS 1874CO 0.19 0.96 0.15 0.66 -1.08 0.00 0.00 179.45 180.33 2b0h h SER 1875N 0.30 0.00 -0.58 0.86 4.64 -1.35 0.81 113.55 118.23 2b0h h SER 1875Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2b0h h SER 1875Cb 0.89 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 2b0h h SER 1875CO 0.07 0.00 0.34 0.78 -0.87 0.00 0.00 176.83 177.15 2b0h h ASN 1876N 0.00 0.73 0.00 4.97 2.35 -1.69 -3.38 115.58 118.55 2b0h h ASN 1876Ca 0.01 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2b0h h ASN 1876Cb 0.30 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2b0h h ASN 1876CO -0.00 0.58 -0.55 0.35 -1.65 0.00 0.00 177.43 176.16 2b0h n THR 1877N -4.40 0.00 -3.80 2.81 -2.24 -0.30 -5.03 114.28 101.32 2b0h n THR 1877Ca 0.06 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 2b0h n THR 1877Cb 0.09 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 67.88 2b0h n THR 1877CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2b0h s SER 1878N -3.34 5.17 0.00 3.42 0.01 0.27 -4.90 113.70 114.34 2b0h s SER 1878Ca 0.00 -1.65 0.26 0.00 1.31 0.00 0.00 55.95 55.87 2b0h s SER 1878Cb 0.00 -1.81 0.61 0.00 0.21 0.00 0.00 66.02 65.03 2b0h s SER 1878CO 0.00 -0.43 1.48 -0.81 0.41 0.00 0.00 173.24 173.89 2b0h n PRO 1879N 4.65 0.32 0.09 12.44 -0.04 -1.26 -3.42 135.00 147.78 2b0h n PRO 1879Ca -0.07 -0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.14 2b0h n PRO 1879Cb 0.42 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.46 0.19 0.00 0.54 4.11 -1.91 -2.93 114.58 115.03 2b0h h GLU 1880Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2b0h h GLU 1880Cb 0.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2b0h h GLU 1880CO 0.00 0.80 0.00 0.39 0.07 0.00 0.00 179.01 180.27 2b0h n GLU 1881N -3.80 0.20 0.00 1.06 -0.58 -1.25 -3.16 120.64 113.10 2b0h n GLU 1881Ca -0.02 0.41 0.14 0.00 -0.42 0.00 0.00 57.16 57.27 2b0h n GLU 1881Cb 0.67 -1.86 0.62 0.00 -0.57 0.00 0.00 31.44 30.30 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 -2.23 0.50 0.06 -4.62 4.77 -1.11 -2.89 117.00 111.48 2b0h n LEU 1882Ca 0.02 -0.02 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2b0h n LEU 1882Cb 0.24 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2b0h n LEU 1882CO 0.20 0.09 0.11 1.23 -1.33 0.00 0.00 177.39 177.69 2b0h h GLY 1883N 4.96 -0.26 0.56 -0.72 0.00 -1.72 -2.88 103.07 103.00 2b0h h GLY 1883Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.52 2b0h h GLY 1883CO 0.00 -0.09 0.48 -2.55 0.00 0.00 0.00 176.54 174.38 2b0h h PRO 1884N -0.99 0.79 -0.96 4.80 0.11 -1.80 -2.53 132.00 131.42 2b0h h PRO 1884Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2b0h h PRO 1884Cb 0.19 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.07 2b0h h PRO 1884CO 0.04 0.53 0.61 -0.07 -0.21 0.00 0.00 178.00 178.90 2b0h h LEU 1885N 0.82 1.13 -0.31 2.35 3.38 -1.66 0.34 115.31 121.36 2b0h h LEU 1885Ca 0.39 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2b0h h LEU 1885Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2b0h h LEU 1885CO -0.23 0.84 0.02 0.00 0.09 0.00 0.00 178.44 179.16 2b0h h ALA 1886N 1.34 0.41 -0.34 1.53 0.00 -1.23 0.72 119.26 121.69 2b0h h ALA 1886Ca 0.35 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2b0h h ALA 1886Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2b0h h ALA 1886CO -0.07 0.14 -0.10 -0.91 0.00 0.00 0.00 179.25 178.31 2b0h h ASN 1887N 0.34 0.56 -0.03 0.00 2.35 -1.11 -1.61 115.58 116.08 2b0h h ASN 1887Ca 0.09 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2b0h h ASN 1887Cb 0.39 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2b0h h ASN 1887CO 0.01 0.70 0.01 -0.61 -1.65 0.00 0.00 177.43 175.88 2b0h h GLN 1888N 0.54 0.05 -0.53 0.81 5.75 0.03 0.14 115.11 121.89 2b0h h GLN 1888Ca 0.10 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.62 2b0h h GLN 1888Cb 0.49 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 2b0h h GLN 1888CO 0.03 0.27 0.30 1.25 -2.65 0.00 0.00 178.83 178.03 2b0h h LEU 1889N -0.19 0.46 -0.55 -2.39 6.46 -0.75 0.13 115.31 118.48 2b0h h LEU 1889Ca 0.01 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2b0h h LEU 1889Cb 0.25 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 2b0h h LEU 1889CO 0.00 0.32 0.36 0.74 -0.62 0.00 0.00 178.44 179.24 2b0h h THR 1890N 0.58 1.12 -0.20 1.05 2.02 -1.09 0.51 112.91 116.91 2b0h h THR 1890Ca 0.23 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2b0h h THR 1890Cb 0.08 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2b0h h THR 1890CO -0.13 0.13 -0.10 -1.28 0.37 0.00 0.00 175.52 174.52 2b0h h SER 1891N 0.73 0.43 -0.62 4.18 0.87 -0.18 -2.02 113.55 116.93 2b0h h SER 1891Ca 0.21 -0.42 -0.09 0.00 -1.23 0.00 0.00 61.79 60.26 2b0h h SER 1891Cb -0.06 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2b0h h SER 1891CO -0.06 0.75 0.03 0.44 -0.53 0.00 0.00 176.83 177.46 2b0h h ASP 1892N 0.10 1.06 -0.61 6.23 5.19 -0.61 -2.09 116.42 125.69 2b0h h ASP 1892Ca 0.04 -0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2b0h h ASP 1892Cb 0.59 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 2b0h h ASP 1892CO 0.03 1.09 0.40 0.22 -3.12 0.00 0.00 179.24 177.86 2b0h h TYR 1893N 0.99 0.77 -0.73 4.55 3.20 -0.89 0.20 116.97 125.07 2b0h h TYR 1893Ca 0.18 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.12 2b0h h TYR 1893Cb 0.53 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2b0h h TYR 1893CO 0.04 0.49 0.48 0.78 -1.64 0.00 0.00 178.16 178.31 2b0h h GLY 1894N 0.83 0.98 0.72 1.82 0.00 -0.89 0.23 103.07 106.76 2b0h h GLY 1894Ca 0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2b0h h GLY 1894CO -0.05 0.25 -0.10 -0.09 0.00 0.00 0.00 176.54 176.56 2b0h h ARG 1895N 0.81 0.30 -0.35 4.80 2.43 -0.78 -2.38 114.38 119.20 2b0h h ARG 1895Ca 0.31 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2b0h h ARG 1895Cb 0.18 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2b0h h ARG 1895CO -0.10 0.67 0.15 1.25 -1.51 0.00 0.00 179.97 180.44 2b0h h LEU 1896N -0.07 0.21 -1.99 3.80 5.85 -0.07 -1.18 115.31 121.86 2b0h h LEU 1896Ca 0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2b0h h LEU 1896Cb 0.60 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2b0h h LEU 1896CO 0.03 0.16 -0.10 0.00 -0.34 0.00 0.00 178.44 178.19 2b0h h ALA 1897N 1.20 1.25 0.00 1.25 0.00 -0.60 -1.49 119.26 120.87 2b0h h ALA 1897Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1897Cb 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b0h h ALA 1897CO -0.13 0.12 -0.11 1.03 0.00 0.00 0.00 179.25 180.16 2b0h h SER 1898N 0.00 0.00 0.39 0.00 0.87 -0.69 -3.09 113.55 111.04 2b0h h SER 1898Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2b0h h SER 1898Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2b0h h SER 1898CO 0.01 0.11 -1.29 0.00 -0.53 0.00 0.00 176.83 175.14 2b0h n GLN 1899N -3.13 0.43 0.10 2.24 6.02 -0.63 -3.89 117.38 118.52 2b0h n GLN 1899Ca 0.03 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2b0h n GLN 1899Cb 0.56 -1.61 0.07 0.00 1.02 0.00 0.00 30.24 30.28 2b0h n GLN 1899CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h h ALA 1900N 2.32 0.73 0.72 -1.58 0.00 -1.29 -3.13 119.26 117.04 2b0h h ALA 1900Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2b0h h ALA 1900Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2b0h h ALA 1900CO 0.00 0.88 -0.38 -0.22 0.00 0.00 0.00 179.25 179.53 2b0h h LYS 1901N 0.06 -0.98 0.00 0.00 1.63 -1.66 -2.20 116.57 113.41 2b0h h LYS 1901Ca -0.02 0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2b0h h LYS 1901Cb 1.31 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 33.17 2b0h h LYS 1901CO 0.10 -0.65 -0.02 -1.35 -3.45 0.00 0.00 179.45 174.08 2b0h h PRO 1902N -1.02 0.00 -0.16 1.90 0.11 -1.76 -3.14 132.00 127.93 2b0h h PRO 1902Ca -0.09 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.84 2b0h h PRO 1902Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2b0h h PRO 1902CO 0.13 0.02 -0.62 0.00 -0.21 0.00 0.00 178.00 177.32 2b0h h ALA 1903N 1.98 0.61 -0.05 -0.75 0.00 -1.48 -1.22 119.26 118.35 2b0h h ALA 1903Ca -0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 2b0h h ALA 1903Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2b0h h ALA 1903CO 0.00 0.71 -0.66 0.00 0.00 0.00 0.00 179.25 179.30 2b0h h ALA 1904N 0.89 0.79 0.00 0.00 0.00 -1.35 -1.81 119.26 117.78 2b0h h ALA 1904Ca -0.01 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.15 2b0h h ALA 1904Cb 1.19 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2b0h h ALA 1904CO 0.12 0.77 -1.10 -0.39 0.00 0.00 0.00 179.25 178.64 2b0h h VAL 1905N 0.16 0.88 -0.04 0.00 -1.51 -1.56 -3.35 116.25 110.83 2b0h h VAL 1905Ca -0.01 -2.42 -0.10 0.00 -1.23 0.00 0.00 66.70 62.94 2b0h h VAL 1905Cb 1.18 2.35 0.01 0.00 -2.13 0.00 0.00 31.29 32.70 2b0h h VAL 1905CO 0.10 0.50 -0.35 0.00 -1.23 0.00 0.00 177.57 176.59 2b0h h ALA 1906N 1.31 0.10 -2.64 5.19 0.00 -1.12 -3.45 119.26 118.65 2b0h h ALA 1906Ca -0.10 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 53.78 2b0h h ALA 1906Cb 1.62 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.51 2b0h h ALA 1906CO 0.07 0.19 0.68 0.00 0.00 0.00 0.00 179.25 180.19 2b0h n ALA 1907N -2.53 1.80 0.78 0.00 0.00 -0.69 -4.11 120.51 115.76 2b0h n ALA 1907Ca -0.09 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2b0h n ALA 1907Cb 0.53 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.71 2b0h n ALA 1907CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2b0h n GLU 1908N 1.20 0.15 -3.02 0.00 0.28 -1.26 -4.85 120.64 113.13 2b0h n GLU 1908Ca 0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.67 2b0h n GLU 1908Cb 0.36 -1.55 -0.05 0.00 1.43 0.00 0.00 31.44 31.63 2b0h n GLU 1908CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2b0h s ASN 1909N -3.49 7.05 0.12 -1.84 0.01 -1.26 -4.97 114.94 110.55 2b0h s ASN 1909Ca 0.07 1.26 -0.22 0.00 -0.71 0.00 0.00 52.86 53.26 2b0h s ASN 1909Cb 0.16 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 2b0h s ASN 1909CO 0.78 -0.09 1.69 -0.08 -1.51 0.00 0.00 177.10 177.89 2b0h h GLU 1910N 6.53 -0.09 -0.75 -0.60 4.81 -1.98 -2.87 114.58 119.63 2b0h h GLU 1910Ca -0.42 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 2b0h h GLU 1910Cb 1.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 2b0h h GLU 1910CO 0.74 -0.06 0.25 0.93 -0.73 0.00 0.00 179.01 180.14 2b0h h GLU 1911N -0.10 1.16 0.32 1.92 5.08 -1.98 -1.73 114.58 119.24 2b0h h GLU 1911Ca 0.08 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2b0h h GLU 1911Cb 0.21 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2b0h h GLU 1911CO -0.18 0.97 -0.19 0.82 -1.00 0.00 0.00 179.01 179.44 2b0h h ILE 1912N 1.11 0.61 -0.26 3.13 2.04 -1.84 0.44 117.51 122.74 2b0h h ILE 1912Ca 0.24 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.11 2b0h h ILE 1912Cb 0.29 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2b0h h ILE 1912CO -0.01 0.00 0.17 1.23 0.00 0.00 0.00 178.15 179.54 2b0h h GLY 1913N -0.49 0.34 0.61 5.37 0.00 -1.32 -0.66 103.07 106.92 2b0h h GLY 1913Ca -0.04 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 2b0h h GLY 1913CO 0.04 0.12 -0.35 0.00 0.00 0.00 0.00 176.54 176.35 2b0h h ALA 1914N 1.84 0.08 -0.40 3.60 0.00 -0.79 -3.25 119.26 120.35 2b0h h ALA 1914Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2b0h h ALA 1914Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2b0h h ALA 1914CO -0.02 0.18 0.17 0.45 0.00 0.00 0.00 179.25 180.02 2b0h h HIS 1915N -0.29 0.59 -0.10 0.00 -0.00 0.39 -0.66 115.15 115.09 2b0h h HIS 1915Ca -0.04 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2b0h h HIS 1915Cb 1.05 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 28.22 2b0h h HIS 1915CO 0.15 0.52 -0.38 0.82 -0.00 0.00 0.00 177.93 179.04 2b0h h ILE 1916N 0.50 0.20 0.00 2.45 2.04 -1.24 -0.14 117.51 121.31 2b0h h ILE 1916Ca 0.13 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2b0h h ILE 1916Cb 0.17 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2b0h h ILE 1916CO -0.01 0.00 -0.33 0.11 0.00 0.00 0.00 178.15 177.92 2b0h h LYS 1917N -0.48 0.00 -0.07 2.37 1.57 -1.57 -2.79 116.57 115.60 2b0h h LYS 1917Ca 0.08 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2b0h h LYS 1917Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2b0h h LYS 1917CO -0.36 0.33 -0.45 1.25 -0.57 0.00 0.00 179.45 179.66 2b0h h HIS 1918N 0.00 0.19 -0.00 -1.35 2.76 -0.19 -0.51 115.15 116.04 2b0h h HIS 1918Ca -0.00 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 2b0h h HIS 1918Cb 0.95 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.87 2b0h h HIS 1918CO 0.00 0.58 -0.09 0.00 -1.30 0.00 0.00 177.93 177.13 2b0h h ARG 1919N 0.13 0.06 0.00 5.26 2.47 -0.79 -3.16 114.38 118.35 2b0h h ARG 1919Ca 0.01 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2b0h h ARG 1919Cb 0.85 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 2b0h h ARG 1919CO 0.07 0.83 -0.14 -0.39 0.56 0.00 0.00 179.97 180.90 2b0h h VAL 1920N -0.68 0.52 -0.02 2.04 -1.51 -1.54 -2.26 116.25 112.80 2b0h h VAL 1920Ca -0.01 -0.67 0.03 0.00 -1.23 0.00 0.00 66.70 64.82 2b0h h VAL 1920Cb 0.86 1.45 -0.04 0.00 -2.13 0.00 0.00 31.29 31.42 2b0h h VAL 1920CO 0.02 0.14 -0.24 -0.61 -1.23 0.00 0.00 177.57 175.65 2b0h h GLN 1921N 0.00 -0.35 -0.01 5.19 4.15 -1.05 -0.20 115.11 122.84 2b0h h GLN 1921Ca -0.00 0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.26 2b0h h GLN 1921Cb 0.44 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2b0h h GLN 1921CO 0.02 -0.23 -0.83 1.49 -1.93 0.00 0.00 178.83 177.35 2b0h h GLU 1922N -0.36 0.19 -0.05 1.69 4.57 -1.47 -2.98 114.58 116.17 2b0h h GLU 1922Ca 0.07 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2b0h h GLU 1922Cb 0.45 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2b0h h GLU 1922CO -0.23 0.91 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.38 2b0h h LEU 1923N 0.11 0.06 -0.73 1.64 3.38 -1.15 -1.24 115.31 117.38 2b0h h LEU 1923Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2b0h h LEU 1923Cb 1.44 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 2b0h h LEU 1923CO 0.13 0.13 0.36 1.23 0.09 0.00 0.00 178.44 180.38 2b0h h GLY 1924N 0.33 1.12 0.85 0.83 0.00 -0.87 0.30 103.07 105.62 2b0h h GLY 1924Ca 0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 2b0h h GLY 1924CO 0.01 0.52 -0.26 0.45 0.00 0.00 0.00 176.54 177.26 2b0h h HIS 1925N 1.02 0.63 -0.74 5.60 3.86 -1.45 -2.05 115.15 122.01 2b0h h HIS 1925Ca 0.25 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2b0h h HIS 1925Cb 0.10 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 2b0h h HIS 1925CO 0.01 0.90 0.32 0.78 0.86 0.00 0.00 177.93 180.80 2b0h h GLY 1926N 0.17 1.16 0.82 2.45 0.00 -1.05 -0.25 103.07 106.38 2b0h h GLY 1926Ca 0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2b0h h GLY 1926CO 0.06 0.57 -0.10 0.00 0.00 0.00 0.00 176.54 177.06 2b0h h SER 1928N -0.47 0.49 -0.02 0.00 4.64 -1.19 -1.50 113.55 115.50 2b0h h SER 1928Ca -0.03 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 2b0h h SER 1928Cb 0.36 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2b0h h SER 1928CO 0.05 0.51 -0.09 0.00 -0.87 0.00 0.00 176.83 176.43 2b0h h ALA 1929N 1.55 0.04 -0.36 5.18 0.00 -0.98 -3.11 119.26 121.59 2b0h h ALA 1929Ca 0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2b0h h ALA 1929Cb 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2b0h h ALA 1929CO 0.00 -0.07 0.20 1.25 0.00 0.00 0.00 179.25 180.63 2b0h h LEU 1930N -0.49 0.44 -1.63 0.00 6.46 -0.59 0.10 115.31 119.60 2b0h h LEU 1930Ca -0.00 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 2b0h h LEU 1930Cb 0.73 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 2b0h h LEU 1930CO 0.02 0.40 -0.20 -0.37 -0.62 0.00 0.00 178.44 177.66 2b0h h VAL 1931N 0.45 1.04 0.01 1.05 -1.51 -1.40 0.28 116.25 116.17 2b0h h VAL 1931Ca 0.13 -0.72 -0.24 0.00 -1.23 0.00 0.00 66.70 64.63 2b0h h VAL 1931Cb 0.05 1.40 0.02 0.00 -2.13 0.00 0.00 31.29 30.63 2b0h h VAL 1931CO -0.02 0.20 -0.96 0.74 -1.23 0.00 0.00 177.57 176.30 2b0h h THR 1932N 0.00 1.31 -0.53 7.19 2.02 -1.32 -1.79 112.91 119.79 2b0h h THR 1932Ca -0.00 -2.22 -0.06 0.00 0.77 0.00 0.00 66.41 64.89 2b0h h THR 1932Cb 0.38 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2b0h h THR 1932CO 0.03 0.68 0.06 0.11 0.37 0.00 0.00 175.52 176.77 2b0h h LYS 1933N 0.27 0.84 0.05 6.66 1.79 -0.27 0.24 116.57 126.16 2b0h h LYS 1933Ca -0.12 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2b0h h LYS 1933Cb 1.63 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 2b0h h LYS 1933CO 0.19 0.80 -0.02 0.00 -1.08 0.00 0.00 179.45 179.34 2b0h h ALA 1934N 1.27 -0.07 -0.23 3.86 0.00 -0.46 0.56 119.26 124.18 2b0h h ALA 1934Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2b0h h ALA 1934Cb 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2b0h h ALA 1934CO 0.01 -0.50 -0.14 0.78 0.00 0.00 0.00 179.25 179.41 2b0h h GLY 1935N -0.15 0.42 0.79 0.00 0.00 -1.06 0.60 103.07 103.67 2b0h h GLY 1935Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2b0h h GLY 1935CO 0.01 0.26 0.01 0.00 0.00 0.00 0.00 176.54 176.83 2b0h h ALA 1936N 1.50 0.15 -0.11 3.60 0.00 -0.29 -1.44 119.26 122.68 2b0h h ALA 1936Ca 0.07 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2b0h h ALA 1936Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2b0h h ALA 1936CO 0.03 -0.18 -0.30 1.25 0.00 0.00 0.00 179.25 180.05 2b0h h LEU 1937N -0.04 0.21 -1.34 0.00 5.85 -0.67 0.79 115.31 120.10 2b0h h LEU 1937Ca 0.03 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2b0h h LEU 1937Cb 0.31 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2b0h h LEU 1937CO 0.00 0.51 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.71 2b0h h GLN 1938N 0.19 0.00 0.12 1.25 4.15 -0.70 -0.91 115.11 119.22 2b0h h GLN 1938Ca 0.03 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.15 2b0h h GLN 1938Cb 0.63 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 2b0h h GLN 1938CO 0.05 0.29 -1.45 0.00 -1.93 0.00 0.00 178.83 175.79 2b0h s SER 1940N -7.04 3.53 0.52 0.00 0.01 0.18 -4.96 113.70 105.94 2b0h s SER 1940Ca -0.07 -3.26 0.30 0.00 1.31 0.00 0.00 55.95 54.23 2b0h s SER 1940Cb 0.07 -1.13 1.22 0.00 0.21 0.00 0.00 66.02 66.39 2b0h s SER 1940CO 0.86 -0.17 1.94 1.55 0.41 0.00 0.00 173.24 177.83 2b0h h PRO 1941N 5.88 0.00 -0.01 12.44 0.13 -1.41 -2.74 132.00 146.29 2b0h h PRO 1941Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2b0h h PRO 1941Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2b0h h PRO 1941CO 0.55 0.07 -0.05 0.43 -0.23 0.00 0.00 178.00 178.78 2b0h n SER 1942N -3.20 0.66 -4.51 1.44 7.64 -1.26 -4.71 113.62 109.67 2b0h n SER 1942Ca 0.00 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.46 2b0h n SER 1942Cb 0.34 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.18 6.25 0.25 6.43 2.15 -1.03 -4.92 116.67 123.61 2b0h s ASP 1943Ca 0.37 -0.41 0.12 0.00 0.43 0.00 0.00 52.55 53.06 2b0h s ASP 1943Cb 0.21 -2.25 0.21 0.00 -0.30 0.00 0.00 42.92 40.78 2b0h s ASP 1943CO 0.40 -0.58 1.51 1.62 -0.17 0.00 0.00 175.17 177.95 2b0h h VAL 1944N 5.72 1.35 -0.48 1.11 3.04 -1.88 -3.18 116.25 121.94 2b0h h VAL 1944Ca -0.27 -2.42 -0.05 0.00 -1.01 0.00 0.00 66.70 62.95 2b0h h VAL 1944Cb 1.11 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.73 2b0h h VAL 1944CO 0.80 0.66 0.10 1.88 -1.01 0.00 0.00 177.57 180.00 2b0h h TYR 1945N 0.00 0.82 -0.91 3.17 0.05 -1.97 0.30 116.97 118.43 2b0h h TYR 1945Ca -0.01 -0.11 0.03 0.00 0.05 0.00 0.00 58.73 58.69 2b0h h TYR 1945Cb 1.30 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.76 2b0h h TYR 1945CO 0.00 0.75 0.60 1.15 -1.05 0.00 0.00 178.16 179.61 2b0h h THR 1946N 0.65 1.18 -0.43 -2.88 2.02 -1.93 -1.76 112.91 109.77 2b0h h THR 1946Ca 0.15 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 2b0h h THR 1946Cb 0.36 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2b0h h THR 1946CO 0.01 0.21 -0.18 0.50 0.37 0.00 0.00 175.52 176.43 2b0h h LYS 1947N 1.17 0.83 -0.11 6.66 3.64 -1.33 -2.17 116.57 125.27 2b0h h LYS 1947Ca 0.36 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2b0h h LYS 1947Cb -0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2b0h h LYS 1947CO -0.11 0.94 -0.01 0.87 -2.27 0.00 0.00 179.45 178.88 2b0h h LYS 1948N 0.73 0.02 0.00 1.90 1.79 0.19 -1.49 116.57 119.70 2b0h h LYS 1948Ca 0.11 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2b0h h LYS 1948Cb 0.70 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.33 2b0h h LYS 1948CO 0.05 0.02 -0.22 0.93 -1.08 0.00 0.00 179.45 179.14 2b0h h GLU 1949N 0.02 0.00 -0.20 3.15 5.08 -1.20 0.27 114.58 121.71 2b0h h GLU 1949Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2b0h h GLU 1949Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2b0h h GLU 1949CO -0.09 0.22 0.07 1.25 -1.00 0.00 0.00 179.01 179.46 2b0h h LEU 1950N 0.00 0.28 -0.42 1.33 6.46 -0.81 0.03 115.31 122.18 2b0h h LEU 1950Ca -0.00 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 2b0h h LEU 1950Cb 0.45 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2b0h h LEU 1950CO 0.03 0.38 0.16 0.40 -0.62 0.00 0.00 178.44 178.79 2b0h h ILE 1951N 0.16 1.20 -1.00 4.05 5.03 -0.25 -1.26 117.51 125.45 2b0h h ILE 1951Ca 0.07 -0.64 0.10 0.00 -0.12 0.00 0.00 64.86 64.27 2b0h h ILE 1951Cb 0.19 0.84 -0.08 0.00 -3.03 0.00 0.00 36.82 34.74 2b0h h ILE 1951CO -0.00 0.23 0.64 -0.33 -0.68 0.00 0.00 178.15 178.00 2b0h h GLU 1952N 0.53 1.02 -0.06 2.37 4.39 -0.34 -0.97 114.58 121.52 2b0h h GLU 1952Ca 0.14 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.60 2b0h h GLU 1952Cb 0.21 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2b0h h GLU 1952CO -0.01 0.67 -0.66 0.00 -1.16 0.00 0.00 179.01 177.85 2b0h h ALA 1954N 0.43 0.81 0.00 0.00 0.00 -0.73 -1.32 119.26 118.44 2b0h h ALA 1954Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2b0h h ALA 1954Cb 1.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2b0h h ALA 1954CO 0.13 0.52 -0.16 0.07 0.00 0.00 0.00 179.25 179.81 2b0h h ARG 1955N 0.89 0.00 0.00 0.00 0.11 -1.28 -0.70 114.38 113.40 2b0h h ARG 1955Ca 0.19 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.05 2b0h h ARG 1955Cb 0.35 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 2b0h h ARG 1955CO 0.00 0.16 -1.09 0.00 0.10 0.00 0.00 179.97 179.14 2b0h h ARG 1956N 0.00 0.00 0.01 0.08 3.08 -1.22 -3.35 114.38 112.98 2b0h h ARG 1956Ca -0.00 -0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 2b0h h ARG 1956Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 2b0h h ARG 1956CO 0.02 0.94 -1.66 -0.39 -1.07 0.00 0.00 179.97 177.81 2b0h h VAL 1957N 0.00 0.92 0.00 2.04 -1.51 -0.85 -3.36 116.25 113.49 2b0h h VAL 1957Ca -0.05 -2.74 -0.02 0.00 -1.23 0.00 0.00 66.70 62.67 2b0h h VAL 1957Cb 1.80 2.47 -0.00 0.00 -2.13 0.00 0.00 31.29 33.43 2b0h h VAL 1957CO 0.12 0.57 -0.08 0.77 -1.23 0.00 0.00 177.57 177.73 2b0h h SER 1958N 0.01 0.00 0.60 4.19 4.64 -1.27 0.43 113.55 122.15 2b0h h SER 1958Ca -0.27 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.82 2b0h h SER 1958Cb 1.99 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.08 2b0h h SER 1958CO 0.09 0.08 -1.03 1.05 -0.87 0.00 0.00 176.83 176.14 2b0h h GLU 1959N 0.00 0.24 -0.08 4.77 4.11 -1.71 -3.28 114.58 118.62 2b0h h GLU 1959Ca -0.00 -0.32 -0.07 0.00 0.07 0.00 0.00 59.36 59.03 2b0h h GLU 1959Cb 0.25 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2b0h h GLU 1959CO 0.01 1.08 -0.29 0.87 0.07 0.00 0.00 179.01 180.75 2b0h h LYS 1960N 0.11 0.15 -0.50 1.06 6.56 -1.07 -1.75 116.57 121.12 2b0h h LYS 1960Ca -0.08 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.39 2b0h h LYS 1960Cb 1.71 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 33.34 2b0h h LYS 1960CO 0.16 0.43 0.03 -0.39 -2.06 0.00 0.00 179.45 177.62 2b0h h VAL 1961N 0.13 1.24 0.00 0.50 -1.51 -1.48 -0.34 116.25 114.79 2b0h h VAL 1961Ca 0.02 -0.98 -0.07 0.00 -1.23 0.00 0.00 66.70 64.44 2b0h h VAL 1961Cb 0.58 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.56 2b0h h VAL 1961CO 0.04 0.35 -0.32 0.28 -1.23 0.00 0.00 177.57 176.69 2b0h h SER 1962N 0.77 0.00 0.58 4.19 0.02 -1.52 -2.41 113.55 115.19 2b0h h SER 1962Ca 0.15 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 2b0h h SER 1962Cb 0.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2b0h h SER 1962CO 0.02 0.32 -0.61 0.45 -1.14 0.00 0.00 176.83 175.87 2b0h h HIS 1963N 0.00 0.04 -0.34 3.45 -0.00 -0.33 -1.69 115.15 116.29 2b0h h HIS 1963Ca -0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 2b0h h HIS 1963Cb 0.90 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 2b0h h HIS 1963CO 0.00 0.63 0.04 0.28 -0.00 0.00 0.00 177.93 178.89 2b0h h VAL 1964N 0.02 1.24 -0.55 2.45 2.07 -0.68 0.39 116.25 121.20 2b0h h VAL 1964Ca -0.01 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.75 2b0h h VAL 1964Cb 1.09 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2b0h h VAL 1964CO 0.08 0.28 0.17 -0.07 0.02 0.00 0.00 177.57 178.06 2b0h h LEU 1965N 0.39 0.13 -0.35 2.57 3.38 -1.10 -1.44 115.31 118.90 2b0h h LEU 1965Ca 0.10 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2b0h h LEU 1965Cb 0.37 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2b0h h LEU 1965CO 0.01 0.09 -0.83 0.00 0.09 0.00 0.00 178.44 177.80 2b0h h ALA 1966N 1.40 0.61 -0.27 1.53 0.00 -1.22 -2.81 119.26 118.50 2b0h h ALA 1966Ca 0.28 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2b0h h ALA 1966Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2b0h h ALA 1966CO -0.31 0.96 0.09 0.00 0.00 0.00 0.00 179.25 179.99 2b0h h ALA 1967N 1.10 0.35 0.00 0.00 0.00 -0.20 -0.83 119.26 119.68 2b0h h ALA 1967Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2b0h h ALA 1967Cb 1.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2b0h h ALA 1967CO 0.12 -0.02 -0.57 -0.07 0.00 0.00 0.00 179.25 178.71 2b0h h LEU 1968N 0.27 0.00 -2.46 0.00 -0.00 -1.35 -2.81 115.31 108.96 2b0h h LEU 1968Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2b0h h LEU 1968Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2b0h h LEU 1968CO -0.00 0.57 0.00 0.00 -0.00 0.00 0.00 178.44 179.01 2b0h n GLN 1969N -3.82 3.07 0.23 1.13 6.02 -1.06 -4.19 117.38 118.76 2b0h n GLN 1969Ca -0.01 -2.18 0.15 0.00 -0.01 0.00 0.00 57.00 54.96 2b0h n GLN 1969Cb 0.58 -1.74 0.61 0.00 1.02 0.00 0.00 30.24 30.71 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h h ALA 1970N 3.78 1.00 0.00 -1.58 0.00 -0.88 -1.39 119.26 120.19 2b0h h ALA 1970Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2b0h h ALA 1970Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2b0h h ALA 1970CO 0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2b0h n GLY 1971N 0.09 -1.30 7.00 0.00 0.00 -1.26 -4.94 105.19 104.78 2b0h n GLY 1971Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.60 0.00 0.00 1.61 4.13 -0.53 -5.11 115.26 113.76 2b0h n ASN 1972Ca 0.05 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2b0h n ASN 1972Cb 0.27 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 2b0h n ASN 1972CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40