#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 -0.01 0.85 -0.61 1.10 -1.26 -5.16 121.20 116.11 2b0h s ILE 1838Ca 0.00 0.02 -0.10 0.00 -0.51 0.00 0.00 60.65 60.06 2b0h s ILE 1838Cb 0.00 -0.70 0.10 0.00 0.15 0.00 0.00 42.46 42.01 2b0h s ILE 1838CO 0.00 0.01 1.13 -1.81 -2.11 0.00 0.00 174.94 172.15 2b0h s ASP 1839N 0.65 3.63 0.00 4.50 1.01 -1.26 -4.87 116.67 120.33 2b0h s ASP 1839Ca -0.03 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.27 2b0h s ASP 1839Cb -0.05 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2b0h s ASP 1839CO -0.04 -2.62 0.65 -0.81 0.21 0.00 0.00 175.17 172.55 2b0h n PRO 1840N -3.88 0.76 -0.08 8.23 -0.04 -1.26 -2.77 135.00 135.96 2b0h n PRO 1840Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 2b0h n PRO 1840Cb 0.52 -1.19 0.10 0.00 -0.04 0.00 0.00 33.50 32.89 2b0h n PRO 1840CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2b0h n PHE 1841N 0.48 0.00 -1.16 0.54 3.72 -1.26 -5.11 117.46 114.67 2b0h n PHE 1841Ca 0.00 -0.82 0.15 0.00 -0.05 0.00 0.00 57.45 56.73 2b0h n PHE 1841Cb 0.33 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 2b0h n PHE 1841CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2b0h n THR 1842N -1.14 0.00 -3.99 4.37 -2.24 -1.11 -4.82 114.28 105.34 2b0h n THR 1842Ca 0.12 0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.86 2b0h n THR 1842Cb 0.57 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 2b0h n THR 1842CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2b0h s MET 1843N -2.73 1.54 -1.12 -0.78 1.75 -1.26 -4.76 119.30 111.95 2b0h s MET 1843Ca 0.00 -1.88 -0.06 0.00 -1.25 0.00 0.00 55.69 52.50 2b0h s MET 1843Cb 0.00 -3.25 0.01 0.00 2.84 0.00 0.00 34.83 34.42 2b0h s MET 1843CO 0.00 -0.96 0.97 0.41 -0.65 0.00 0.00 175.02 174.79 2b0h n GLY 1844N 4.28 -0.29 3.66 2.11 0.00 -1.26 -4.95 105.19 108.74 2b0h n GLY 1844Ca 0.03 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2b0h n GLY 1844CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b0h s ASP 1845N -3.44 7.05 0.08 1.61 2.15 -1.26 -4.97 116.67 117.89 2b0h s ASP 1845Ca 0.40 1.30 -0.34 0.00 0.43 0.00 0.00 52.55 54.34 2b0h s ASP 1845Cb -0.18 -2.51 -0.17 0.00 -0.30 0.00 0.00 42.92 39.77 2b0h s ASP 1845CO 0.61 -0.56 1.53 1.55 -0.17 0.00 0.00 175.17 178.13 2b0h h PRO 1846N 7.42 -0.96 -0.01 4.34 0.13 -1.98 -3.22 132.00 137.72 2b0h h PRO 1846Ca -0.23 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2b0h h PRO 1846Cb 1.09 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2b0h h PRO 1846CO 0.92 -0.64 -0.44 -0.85 -0.23 0.00 0.00 178.00 176.76 2b0h n GLU 1847N -5.41 1.38 0.27 0.86 0.00 -1.26 -4.30 120.64 112.19 2b0h n GLU 1847Ca -0.12 -0.89 0.16 0.00 0.00 0.00 0.00 57.16 56.31 2b0h n GLU 1847Cb 0.45 -1.40 0.72 0.00 0.00 0.00 0.00 31.44 31.22 2b0h n GLU 1847CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2b0h h GLY 1848N 4.30 0.00 0.82 -1.84 0.00 -1.93 -2.27 103.07 102.15 2b0h h GLY 1848Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b0h h GLY 1848CO 0.00 0.00 -1.01 1.44 0.00 0.00 0.00 176.54 176.97 2b0h n SER 1849N -3.20 0.67 0.29 0.19 7.64 -1.25 -3.96 113.62 114.01 2b0h n SER 1849Ca -0.00 0.09 0.16 0.00 1.01 0.00 0.00 58.87 60.14 2b0h n SER 1849Cb 0.29 0.62 0.91 0.00 -1.01 0.00 0.00 64.21 65.02 2b0h n SER 1849CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2b0h h PHE 1850N 0.00 0.00 -0.09 1.43 3.57 -1.64 -2.29 116.94 117.91 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 0.86 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2b0h h PHE 1850CO 0.00 0.04 0.06 -0.39 -2.23 0.00 0.00 178.31 175.80 2b0h h VAL 1851N 0.00 1.01 0.21 1.41 -1.51 -1.69 0.12 116.25 115.80 2b0h h VAL 1851Ca -0.00 -0.04 -0.27 0.00 -1.23 0.00 0.00 66.70 65.16 2b0h h VAL 1851Cb 0.17 0.90 0.03 0.00 -2.13 0.00 0.00 31.29 30.27 2b0h h VAL 1851CO 0.01 0.02 -1.20 -0.78 -1.23 0.00 0.00 177.57 174.38 2b0h h ASP 1852N 0.10 0.69 0.37 4.19 3.58 -1.69 -2.20 116.42 121.47 2b0h h ASP 1852Ca 0.04 -0.94 -0.08 0.00 0.42 0.00 0.00 57.03 56.48 2b0h h ASP 1852Cb 0.02 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 2b0h h ASP 1852CO -0.01 1.58 -0.36 1.88 -2.88 0.00 0.00 179.24 179.45 2b0h h TYR 1853N -0.08 0.00 0.90 0.28 0.05 -1.54 -1.53 116.97 115.06 2b0h h TYR 1853Ca -0.21 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.53 2b0h h TYR 1853Cb 1.95 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.70 2b0h h TYR 1853CO 0.16 0.36 -0.43 0.37 -1.05 0.00 0.00 178.16 177.57 2b0h h GLN 1854N 0.00 -1.16 -0.27 4.88 4.15 -0.78 -3.28 115.11 118.64 2b0h h GLN 1854Ca -0.00 0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 2b0h h GLN 1854Cb 0.64 0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 2b0h h GLN 1854CO 0.05 -0.77 0.14 1.15 -1.93 0.00 0.00 178.83 177.47 2b0h h THR 1855N -1.32 1.09 0.03 2.39 2.02 -1.12 -2.74 112.91 113.26 2b0h h THR 1855Ca -0.12 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2b0h h THR 1855Cb 0.92 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2b0h h THR 1855CO 0.20 0.10 -0.01 0.00 0.37 0.00 0.00 175.52 176.18 2b0h h THR 1856N 0.38 1.19 0.00 3.16 1.03 -1.35 -3.13 112.91 114.19 2b0h h THR 1856Ca 0.10 -0.68 -0.12 0.00 -0.01 0.00 0.00 66.41 65.70 2b0h h THR 1856Cb 0.02 1.65 -0.02 0.00 -1.07 0.00 0.00 68.15 68.73 2b0h h THR 1856CO -0.02 0.17 -0.76 0.00 -0.01 0.00 0.00 175.52 174.91 2b0h h MET 1857N -0.33 0.00 0.00 0.00 -0.00 -1.60 -3.18 114.93 109.82 2b0h h MET 1857Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.65 2b0h h MET 1857Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.90 2b0h h MET 1857CO 0.01 0.44 -0.24 -0.39 -0.00 0.00 0.00 176.91 176.72 2b0h h VAL 1858N 0.00 1.15 -0.23 -0.10 -1.51 -1.53 0.15 116.25 114.17 2b0h h VAL 1858Ca -0.05 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.58 2b0h h VAL 1858Cb 1.43 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 2b0h h VAL 1858CO 0.06 0.24 0.10 0.03 -1.23 0.00 0.00 177.57 176.76 2b0h h ARG 1859N 0.00 0.35 -0.60 5.19 2.47 -1.52 -1.74 114.38 118.53 2b0h h ARG 1859Ca -0.00 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2b0h h ARG 1859Cb 0.43 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 2b0h h ARG 1859CO 0.03 0.39 0.37 1.15 0.56 0.00 0.00 179.97 182.47 2b0h h THR 1860N 0.23 1.17 -0.72 2.04 2.02 -1.36 -0.76 112.91 115.54 2b0h h THR 1860Ca 0.08 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.92 2b0h h THR 1860Cb 0.17 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 2b0h h THR 1860CO -0.01 0.18 0.44 0.00 0.37 0.00 0.00 175.52 176.50 2b0h h ALA 1861N 1.19 0.96 -0.59 6.16 0.00 -0.57 0.55 119.26 126.95 2b0h h ALA 1861Ca 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2b0h h ALA 1861Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2b0h h ALA 1861CO -0.04 0.18 0.20 0.87 0.00 0.00 0.00 179.25 180.46 2b0h h LYS 1862N 0.83 0.92 -0.54 0.00 1.57 -0.97 -0.86 116.57 117.52 2b0h h LYS 1862Ca 0.30 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2b0h h LYS 1862Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2b0h h LYS 1862CO -0.14 0.81 0.08 0.00 -0.57 0.00 0.00 179.45 179.64 2b0h h ALA 1863N 1.06 0.72 -0.54 3.86 0.00 -0.12 -2.14 119.26 122.10 2b0h h ALA 1863Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2b0h h ALA 1863Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2b0h h ALA 1863CO -0.01 0.47 0.30 0.82 0.00 0.00 0.00 179.25 180.83 2b0h h ILE 1864N 0.79 1.18 -0.55 0.00 2.04 0.25 -0.29 117.51 120.93 2b0h h ILE 1864Ca 0.16 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.63 2b0h h ILE 1864Cb 0.41 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2b0h h ILE 1864CO 0.01 0.19 0.30 0.00 0.00 0.00 0.00 178.15 178.65 2b0h h ALA 1865N 1.14 0.71 -0.04 1.87 0.00 -0.87 0.38 119.26 122.44 2b0h h ALA 1865Ca 0.19 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2b0h h ALA 1865Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2b0h h ALA 1865CO -0.03 -0.03 -0.69 -0.24 0.00 0.00 0.00 179.25 178.25 2b0h h VAL 1866N 0.57 1.43 -0.16 0.00 3.04 -1.21 -1.48 116.25 118.44 2b0h h VAL 1866Ca 0.24 -2.21 -0.05 0.00 -1.01 0.00 0.00 66.70 63.67 2b0h h VAL 1866Cb 0.11 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2b0h h VAL 1866CO -0.15 0.65 -0.09 0.74 -1.01 0.00 0.00 177.57 177.72 2b0h h THR 1867N 0.14 1.32 -0.29 3.17 2.02 -0.32 0.45 112.91 119.39 2b0h h THR 1867Ca -0.02 -1.15 -0.10 0.00 0.77 0.00 0.00 66.41 65.92 2b0h h THR 1867Cb 1.24 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 2b0h h THR 1867CO 0.11 0.34 -0.22 -0.37 0.37 0.00 0.00 175.52 175.74 2b0h h VAL 1868N 0.01 1.26 -0.00 3.16 -1.51 -0.26 -1.02 116.25 117.90 2b0h h VAL 1868Ca 0.03 -1.25 -0.15 0.00 -1.23 0.00 0.00 66.70 64.11 2b0h h VAL 1868Cb 0.57 1.29 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2b0h h VAL 1868CO 0.03 0.40 -0.70 0.06 -1.23 0.00 0.00 177.57 176.13 2b0h h GLN 1869N 0.49 0.01 -0.71 5.19 3.07 -1.21 -2.48 115.11 119.47 2b0h h GLN 1869Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.78 2b0h h GLN 1869Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.19 2b0h h GLN 1869CO 0.05 0.70 0.32 0.93 0.09 0.00 0.00 178.83 180.92 2b0h h GLU 1870N 0.00 1.04 -0.67 0.06 5.08 -0.38 -0.41 114.58 119.30 2b0h h GLU 1870Ca -0.01 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2b0h h GLU 1870Cb 1.23 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 2b0h h GLU 1870CO 0.09 0.83 0.33 0.52 -1.00 0.00 0.00 179.01 179.78 2b0h h MET 1871N 1.00 0.56 0.00 2.33 2.86 -0.75 0.81 114.93 121.73 2b0h h MET 1871Ca 0.24 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.70 2b0h h MET 1871Cb 0.15 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2b0h h MET 1871CO -0.03 0.37 -0.69 -0.39 1.06 0.00 0.00 176.91 177.23 2b0h h VAL 1872N 0.57 1.41 0.11 -2.22 -1.51 -1.26 -2.58 116.25 110.78 2b0h h VAL 1872Ca 0.32 -2.42 -0.18 0.00 -1.23 0.00 0.00 66.70 63.19 2b0h h VAL 1872Cb 0.32 2.34 0.02 0.00 -2.13 0.00 0.00 31.29 31.83 2b0h h VAL 1872CO -0.25 0.67 -0.77 0.74 -1.23 0.00 0.00 177.57 176.73 2b0h h THR 1873N 0.00 1.49 -0.54 7.19 2.02 0.03 -3.34 112.91 119.77 2b0h h THR 1873Ca -0.01 -2.44 -0.11 0.00 0.77 0.00 0.00 66.41 64.62 2b0h h THR 1873Cb 1.28 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 70.75 2b0h h THR 1873CO 0.09 0.69 -0.11 0.11 0.37 0.00 0.00 175.52 176.67 2b0h h LYS 1874N -0.31 1.02 0.00 6.66 1.79 0.54 -3.15 116.57 123.13 2b0h h LYS 1874Ca -0.13 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2b0h h LYS 1874Cb 1.57 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2b0h h LYS 1874CO 0.15 1.07 0.07 -1.13 -1.08 0.00 0.00 179.45 178.53 2b0h n SER 1875N -4.16 0.51 -0.19 0.86 3.41 -0.97 0.15 113.62 113.23 2b0h n SER 1875Ca 0.01 0.71 -0.08 0.00 -0.26 0.00 0.00 58.87 59.26 2b0h n SER 1875Cb 0.40 -0.76 0.02 0.00 -0.26 0.00 0.00 64.21 63.61 2b0h n SER 1875CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2b0h h ASN 1876N 0.00 0.78 0.00 4.04 2.35 -1.70 -3.39 115.58 117.66 2b0h h ASN 1876Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2b0h h ASN 1876Cb 0.15 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2b0h h ASN 1876CO 0.00 0.78 -0.86 0.35 -1.65 0.00 0.00 177.43 176.05 2b0h n THR 1877N -4.47 0.00 -4.02 2.81 -2.24 -0.04 -5.01 114.28 101.31 2b0h n THR 1877Ca 0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 2b0h n THR 1877Cb 0.19 -0.85 -0.15 0.00 -2.10 0.00 0.00 70.33 67.42 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 -2.73 4.62 0.00 3.42 0.01 0.39 -4.90 113.70 114.50 2b0h s SER 1878Ca 0.00 -1.89 0.25 0.00 1.31 0.00 0.00 55.95 55.62 2b0h s SER 1878Cb 0.00 -1.56 0.43 0.00 0.21 0.00 0.00 66.02 65.10 2b0h s SER 1878CO 0.00 -0.32 1.36 -0.81 0.41 0.00 0.00 173.24 173.87 2b0h n PRO 1879N 4.34 0.42 -0.05 12.44 -0.04 -1.26 -3.20 135.00 147.65 2b0h n PRO 1879Ca -0.02 -0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 63.01 2b0h n PRO 1879Cb 0.42 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2b0h n PRO 1879CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2b0h h GLU 1880N 0.68 0.62 0.00 0.54 5.08 -1.92 -3.03 114.58 116.55 2b0h h GLU 1880Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2b0h h GLU 1880Cb 0.53 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2b0h h GLU 1880CO 0.00 1.07 0.00 0.39 -1.00 0.00 0.00 179.01 179.47 2b0h n GLU 1881N -4.19 0.15 0.00 2.33 -0.58 -1.26 -2.51 120.64 114.58 2b0h n GLU 1881Ca -0.07 0.56 0.14 0.00 -0.42 0.00 0.00 57.16 57.37 2b0h n GLU 1881Cb 0.59 -1.91 0.62 0.00 -0.57 0.00 0.00 31.44 30.16 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 0.05 0.06 -4.62 4.77 -1.14 -2.47 117.00 111.43 2b0h n LEU 1882Ca -0.00 0.41 -0.04 0.00 -0.03 0.00 0.00 56.01 56.35 2b0h n LEU 1882Cb 0.10 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2b0h n LEU 1882CO 0.13 0.01 0.11 1.23 -1.33 0.00 0.00 177.39 177.54 2b0h h GLY 1883N 5.00 -0.27 0.74 -0.72 0.00 -1.66 -2.93 103.07 103.23 2b0h h GLY 1883Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.49 2b0h h GLY 1883CO 0.00 -0.10 0.59 -2.55 0.00 0.00 0.00 176.54 174.48 2b0h h PRO 1884N -1.05 1.05 -0.77 4.80 0.11 -1.78 -2.41 132.00 131.95 2b0h h PRO 1884Ca -0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2b0h h PRO 1884Cb 0.20 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 2b0h h PRO 1884CO 0.04 0.69 0.48 -0.07 -0.21 0.00 0.00 178.00 178.94 2b0h h LEU 1885N 1.08 0.90 0.03 2.35 3.38 -1.62 0.32 115.31 121.75 2b0h h LEU 1885Ca 0.40 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2b0h h LEU 1885Cb 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2b0h h LEU 1885CO -0.17 0.67 -0.01 0.00 0.09 0.00 0.00 178.44 179.02 2b0h h ALA 1886N 1.48 -0.04 -0.77 1.53 0.00 -1.24 -0.17 119.26 120.06 2b0h h ALA 1886Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2b0h h ALA 1886Cb -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2b0h h ALA 1886CO -0.06 -0.43 0.31 -0.97 0.00 0.00 0.00 179.25 178.10 2b0h h ASN 1887N -0.21 1.06 -0.13 0.00 -1.24 -1.18 -1.97 115.58 111.92 2b0h h ASN 1887Ca -0.00 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 56.83 2b0h h ASN 1887Cb 0.20 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 2b0h h ASN 1887CO 0.01 0.94 0.07 -0.61 -1.29 0.00 0.00 177.43 176.56 2b0h h GLN 1888N 1.12 0.18 -0.37 6.67 5.75 -0.19 0.25 115.11 128.52 2b0h h GLN 1888Ca 0.26 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.79 2b0h h GLN 1888Cb 0.21 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 2b0h h GLN 1888CO -0.02 0.17 0.08 1.25 -2.65 0.00 0.00 178.83 177.67 2b0h h LEU 1889N 0.13 0.04 -0.80 -2.39 6.46 -0.89 -1.41 115.31 116.45 2b0h h LEU 1889Ca 0.05 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2b0h h LEU 1889Cb 0.05 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.00 2b0h h LEU 1889CO -0.01 0.06 0.51 0.74 -0.62 0.00 0.00 178.44 179.12 2b0h h THR 1890N 0.21 1.14 -0.06 1.05 2.02 -0.87 -1.14 112.91 115.26 2b0h h THR 1890Ca 0.17 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2b0h h THR 1890Cb 0.19 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2b0h h THR 1890CO -0.22 0.18 0.02 0.28 0.37 0.00 0.00 175.52 176.16 2b0h h SER 1891N 1.01 0.09 0.08 4.18 0.02 0.21 -2.78 113.55 116.36 2b0h h SER 1891Ca 0.31 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 2b0h h SER 1891Cb -0.02 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2b0h h SER 1891CO -0.10 0.25 -0.36 0.44 -1.14 0.00 0.00 176.83 175.92 2b0h h ASP 1892N -0.08 0.40 -0.47 3.07 3.32 -1.11 -2.40 116.42 119.16 2b0h h ASP 1892Ca 0.02 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.94 2b0h h ASP 1892Cb 0.19 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2b0h h ASP 1892CO -0.00 0.74 0.31 0.22 -1.72 0.00 0.00 179.24 178.79 2b0h h TYR 1893N 0.33 0.50 -0.94 4.55 3.20 -1.10 -0.62 116.97 122.89 2b0h h TYR 1893Ca 0.04 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.02 2b0h h TYR 1893Cb 0.79 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.82 2b0h h TYR 1893CO 0.02 0.29 0.60 0.78 -1.64 0.00 0.00 178.16 178.22 2b0h h GLY 1894N 0.52 1.42 0.66 1.82 0.00 -1.15 0.10 103.07 106.44 2b0h h GLY 1894Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2b0h h GLY 1894CO -0.05 0.22 -0.11 3.21 0.00 0.00 0.00 176.54 179.81 2b0h h ARG 1895N 0.96 -0.30 -0.40 4.80 3.08 -1.19 -2.79 114.38 118.54 2b0h h ARG 1895Ca 0.44 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.59 2b0h h ARG 1895Cb 0.39 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 2b0h h ARG 1895CO -0.20 0.02 -0.06 1.25 -1.07 0.00 0.00 179.97 179.91 2b0h h LEU 1896N -0.66 -0.29 -1.42 3.04 5.85 -0.80 -0.33 115.31 120.70 2b0h h LEU 1896Ca -0.03 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2b0h h LEU 1896Cb 0.47 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2b0h h LEU 1896CO 0.05 -0.10 -0.29 0.00 -0.34 0.00 0.00 178.44 177.76 2b0h h ALA 1897N 1.38 1.50 0.06 1.25 0.00 -0.88 -2.68 119.26 119.90 2b0h h ALA 1897Ca 0.20 -0.27 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 2b0h h ALA 1897Cb 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2b0h h ALA 1897CO -0.38 0.36 -1.19 0.77 0.00 0.00 0.00 179.25 178.82 2b0h h SER 1898N 0.00 0.20 0.97 0.00 0.02 -0.95 -3.16 113.55 110.63 2b0h h SER 1898Ca -0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2b0h h SER 1898Cb 0.52 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2b0h h SER 1898CO 0.04 1.18 0.00 0.00 -1.14 0.00 0.00 176.83 176.91 2b0h n GLN 1899N -3.41 0.02 0.19 3.45 1.13 -0.25 -2.93 117.38 115.58 2b0h n GLN 1899Ca -0.06 0.05 0.05 0.00 -1.94 0.00 0.00 57.00 55.10 2b0h n GLN 1899Cb 0.99 -1.53 0.37 0.00 0.11 0.00 0.00 30.24 30.18 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 2.90 1.08 0.34 -1.58 0.00 -1.44 -2.62 119.26 117.94 2b0h h ALA 1900Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2b0h h ALA 1900Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2b0h h ALA 1900CO 0.00 0.46 -0.16 -0.22 0.00 0.00 0.00 179.25 179.33 2b0h h LYS 1901N 0.00 -0.44 0.00 0.00 3.64 -1.69 -2.59 116.57 115.49 2b0h h LYS 1901Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2b0h h LYS 1901Cb 0.82 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2b0h h LYS 1901CO 0.05 -0.17 -0.07 -1.00 -2.27 0.00 0.00 179.45 175.99 2b0h h PRO 1902N -1.03 0.00 -0.02 1.90 0.13 -1.73 -1.44 132.00 129.82 2b0h h PRO 1902Ca -0.05 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.93 2b0h h PRO 1902Cb 0.48 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2b0h h PRO 1902CO 0.08 0.07 -0.69 0.00 -0.23 0.00 0.00 178.00 177.22 2b0h h ALA 1903N 1.93 0.80 0.04 -0.56 0.00 -1.51 -2.56 119.26 117.40 2b0h h ALA 1903Ca -0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 54.91 54.06 2b0h h ALA 1903Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2b0h h ALA 1903CO 0.01 0.82 -1.02 0.00 0.00 0.00 0.00 179.25 179.07 2b0h h ALA 1904N 1.21 0.33 0.00 0.00 0.00 -0.86 -2.30 119.26 117.65 2b0h h ALA 1904Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2b0h h ALA 1904Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2b0h h ALA 1904CO 0.10 0.93 -0.03 1.33 0.00 0.00 0.00 179.25 181.57 2b0h n VAL 1905N -3.62 0.26 0.12 0.00 0.24 -0.93 -2.56 118.33 111.83 2b0h n VAL 1905Ca -0.06 -0.13 0.08 0.00 -2.04 0.00 0.00 64.34 62.20 2b0h n VAL 1905Cb 0.89 -0.50 0.16 0.00 -1.47 0.00 0.00 33.84 32.92 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 -1.63 2.35 -2.57 2.33 0.00 -0.97 -4.97 120.51 115.05 2b0h n ALA 1906Ca 0.06 -0.98 -0.41 0.00 0.00 0.00 0.00 53.44 52.11 2b0h n ALA 1906Cb 0.38 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.15 3.24 0.11 0.00 0.00 -0.87 -4.65 121.76 118.44 2b0h s ALA 1907Ca 0.28 0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.73 2b0h s ALA 1907Cb 0.16 -3.20 -0.22 0.00 0.00 0.00 0.00 23.12 19.85 2b0h s ALA 1907CO 0.22 -0.12 1.23 0.93 0.00 0.00 0.00 175.76 178.03 2b0h h GLU 1908N 6.35 0.05 -6.33 0.00 4.39 -1.90 -3.47 114.58 113.66 2b0h h GLU 1908Ca -0.42 -0.09 -0.60 0.00 0.34 0.00 0.00 59.36 58.60 2b0h h GLU 1908Cb 1.21 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 2b0h h GLU 1908CO 0.74 1.03 -0.68 -0.80 -1.16 0.00 0.00 179.01 178.14 2b0h s ASN 1909N -6.77 4.52 0.16 1.42 0.01 -1.26 -5.03 114.94 107.99 2b0h s ASN 1909Ca -0.00 -0.53 -0.22 0.00 -0.71 0.00 0.00 52.86 51.39 2b0h s ASN 1909Cb 0.09 -0.86 0.05 0.00 0.41 0.00 0.00 41.25 40.94 2b0h s ASN 1909CO 0.83 0.07 1.62 -0.08 -1.51 0.00 0.00 177.10 178.03 2b0h h GLU 1910N 2.53 -0.23 0.00 -0.60 4.57 -2.00 -2.93 114.58 115.92 2b0h h GLU 1910Ca -0.46 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 57.59 2b0h h GLU 1910Cb 1.22 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2b0h h GLU 1910CO 0.57 -0.15 -0.69 0.93 -1.18 0.00 0.00 179.01 178.49 2b0h h GLU 1911N -0.24 0.00 0.01 1.92 4.39 -1.97 -2.64 114.58 116.05 2b0h h GLU 1911Ca 0.15 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.88 2b0h h GLU 1911Cb 0.48 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 2b0h h GLU 1911CO -0.44 0.69 -0.22 0.82 -1.16 0.00 0.00 179.01 178.71 2b0h h ILE 1912N 0.00 0.50 -0.09 3.13 2.04 -1.85 0.55 117.51 121.79 2b0h h ILE 1912Ca -0.01 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 2b0h h ILE 1912Cb 1.30 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2b0h h ILE 1912CO 0.09 0.00 -0.58 1.23 0.00 0.00 0.00 178.15 178.89 2b0h h GLY 1913N -0.35 0.33 0.87 5.37 0.00 -1.60 -3.09 103.07 104.59 2b0h h GLY 1913Ca 0.06 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2b0h h GLY 1913CO -0.19 0.35 -0.17 0.00 0.00 0.00 0.00 176.54 176.53 2b0h h ALA 1914N 1.17 0.34 -0.47 3.60 0.00 -1.01 -2.48 119.26 120.42 2b0h h ALA 1914Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2b0h h ALA 1914Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2b0h h ALA 1914CO 0.09 0.25 0.31 0.45 0.00 0.00 0.00 179.25 180.35 2b0h h HIS 1915N 0.25 0.58 0.35 0.00 -0.00 0.05 0.86 115.15 117.23 2b0h h HIS 1915Ca 0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2b0h h HIS 1915Cb 0.70 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 2b0h h HIS 1915CO 0.07 0.36 -0.47 0.82 -0.00 0.00 0.00 177.93 178.70 2b0h h ILE 1916N 0.62 0.07 -0.33 2.45 2.04 -1.48 0.72 117.51 121.61 2b0h h ILE 1916Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 2b0h h ILE 1916Cb -0.05 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 2b0h h ILE 1916CO -0.05 0.00 0.17 0.11 0.00 0.00 0.00 178.15 178.38 2b0h h LYS 1917N -0.87 0.44 -0.17 2.37 1.57 -1.24 -1.30 116.57 117.37 2b0h h LYS 1917Ca -0.03 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2b0h h LYS 1917Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2b0h h LYS 1917CO -0.14 0.33 -0.35 0.45 -0.57 0.00 0.00 179.45 179.17 2b0h h HIS 1918N 0.45 0.68 -0.09 -1.35 3.86 -0.41 -2.60 115.15 115.69 2b0h h HIS 1918Ca 0.12 -0.25 -0.19 0.00 -1.16 0.00 0.00 60.37 58.89 2b0h h HIS 1918Cb 0.02 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2b0h h HIS 1918CO 0.00 0.98 -0.75 0.00 0.86 0.00 0.00 177.93 179.03 2b0h h ARG 1919N 0.18 0.47 0.00 2.45 2.47 -0.44 -2.28 114.38 117.23 2b0h h ARG 1919Ca 0.00 -0.39 -0.08 0.00 -1.26 0.00 0.00 59.98 58.25 2b0h h ARG 1919Cb 0.95 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 2b0h h ARG 1919CO 0.08 1.02 -0.40 -0.39 0.56 0.00 0.00 179.97 180.84 2b0h h VAL 1920N 0.32 1.26 -0.43 2.04 -1.51 -1.32 0.45 116.25 117.06 2b0h h VAL 1920Ca -0.04 -1.38 -0.11 0.00 -1.23 0.00 0.00 66.70 63.95 2b0h h VAL 1920Cb 1.33 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 32.23 2b0h h VAL 1920CO 0.13 0.39 -0.15 1.56 -1.23 0.00 0.00 177.57 178.28 2b0h h GLN 1921N 0.00 0.85 -0.39 5.19 1.08 -1.24 0.52 115.11 121.13 2b0h h GLN 1921Ca -0.00 -0.35 -0.11 0.00 -1.45 0.00 0.00 58.65 56.73 2b0h h GLN 1921Cb 0.72 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2b0h h GLN 1921CO 0.05 0.99 -0.22 0.93 -0.95 0.00 0.00 178.83 179.63 2b0h h GLU 1922N 0.68 0.78 -0.08 1.46 4.39 -1.01 -1.42 114.58 119.37 2b0h h GLU 1922Ca 0.10 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 2b0h h GLU 1922Cb 0.70 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2b0h h GLU 1922CO 0.05 0.92 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.56 2b0h h LEU 1923N 0.68 0.12 -0.34 1.33 3.38 -0.76 0.14 115.31 119.86 2b0h h LEU 1923Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2b0h h LEU 1923Cb 0.73 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2b0h h LEU 1923CO 0.06 0.33 0.09 1.23 0.09 0.00 0.00 178.44 180.23 2b0h h GLY 1924N 0.75 0.58 1.08 0.83 0.00 -0.10 0.22 103.07 106.44 2b0h h GLY 1924Ca 0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2b0h h GLY 1924CO 0.03 0.33 0.21 0.45 0.00 0.00 0.00 176.54 177.56 2b0h h HIS 1925N 0.40 1.19 0.18 5.60 3.86 -0.83 -2.45 115.15 123.09 2b0h h HIS 1925Ca 0.11 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2b0h h HIS 1925Cb 0.28 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2b0h h HIS 1925CO 0.01 0.95 -0.09 0.78 0.86 0.00 0.00 177.93 180.45 2b0h h GLY 1926N 1.11 -0.25 1.04 2.45 0.00 -0.47 -2.60 103.07 104.34 2b0h h GLY 1926Ca 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 2b0h h GLY 1926CO -0.00 -0.09 0.39 0.00 0.00 0.00 0.00 176.54 176.84 2b0h h SER 1928N 1.19 0.64 -0.32 0.00 0.87 -1.47 0.26 113.55 114.73 2b0h h SER 1928Ca 0.29 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.68 2b0h h SER 1928Cb 0.13 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2b0h h SER 1928CO -0.03 0.45 -0.43 0.00 -0.53 0.00 0.00 176.83 176.28 2b0h h ALA 1929N 1.26 0.48 0.33 6.23 0.00 -1.03 -2.81 119.26 123.72 2b0h h ALA 1929Ca 0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2b0h h ALA 1929Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2b0h h ALA 1929CO -0.09 0.61 -0.16 1.25 0.00 0.00 0.00 179.25 180.86 2b0h h LEU 1930N 0.63 -0.38 -1.73 0.00 6.46 0.01 -1.14 115.31 119.17 2b0h h LEU 1930Ca 0.04 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2b0h h LEU 1930Cb 1.03 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2b0h h LEU 1930CO 0.10 -0.20 -0.15 -0.37 -0.62 0.00 0.00 178.44 177.20 2b0h h VAL 1931N -0.53 1.06 -0.23 1.05 -1.51 -0.57 0.26 116.25 115.77 2b0h h VAL 1931Ca -0.05 -0.52 -0.07 0.00 -1.23 0.00 0.00 66.70 64.83 2b0h h VAL 1931Cb 0.40 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 2b0h h VAL 1931CO 0.07 0.15 -0.13 0.74 -1.23 0.00 0.00 177.57 177.18 2b0h h THR 1932N 0.00 1.30 -0.23 7.19 2.02 -1.24 -1.23 112.91 120.72 2b0h h THR 1932Ca -0.00 -1.21 -0.10 0.00 0.77 0.00 0.00 66.41 65.86 2b0h h THR 1932Cb 0.27 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2b0h h THR 1932CO 0.02 0.37 -0.29 0.11 0.37 0.00 0.00 175.52 176.10 2b0h h LYS 1933N 0.21 0.45 -0.12 6.66 1.79 -0.26 0.22 116.57 125.52 2b0h h LYS 1933Ca 0.05 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2b0h h LYS 1933Cb 0.63 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2b0h h LYS 1933CO 0.04 0.70 0.07 0.00 -1.08 0.00 0.00 179.45 179.18 2b0h h ALA 1934N 1.30 0.14 -0.44 3.86 0.00 -0.41 0.17 119.26 123.88 2b0h h ALA 1934Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2b0h h ALA 1934Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2b0h h ALA 1934CO 0.05 -0.37 -0.17 0.78 0.00 0.00 0.00 179.25 179.54 2b0h h GLY 1935N 0.15 0.98 1.02 0.00 0.00 -0.98 -1.13 103.07 103.10 2b0h h GLY 1935Ca 0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 2b0h h GLY 1935CO -0.02 0.78 0.43 0.00 0.00 0.00 0.00 176.54 177.73 2b0h h ALA 1936N 0.85 1.02 -0.17 3.60 0.00 -0.37 -1.07 119.26 123.12 2b0h h ALA 1936Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2b0h h ALA 1936Cb 0.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2b0h h ALA 1936CO 0.06 0.53 -0.50 1.25 0.00 0.00 0.00 179.25 180.59 2b0h h LEU 1937N 1.11 0.49 -1.71 0.00 5.85 -0.61 -2.73 115.31 117.70 2b0h h LEU 1937Ca 0.28 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2b0h h LEU 1937Cb 0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2b0h h LEU 1937CO -0.04 0.91 -0.18 -0.61 -0.34 0.00 0.00 178.44 178.18 2b0h h GLN 1938N 0.35 0.00 0.00 1.25 4.15 -0.49 0.21 115.11 120.59 2b0h h GLN 1938Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2b0h h GLN 1938Cb 1.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2b0h h GLN 1938CO 0.09 0.18 0.00 0.00 -1.93 0.00 0.00 178.83 177.17 2b0h s SER 1940N -4.19 -1.36 0.49 0.00 0.01 -0.01 -5.02 113.70 103.61 2b0h s SER 1940Ca 0.10 -1.36 0.31 0.00 1.31 0.00 0.00 55.95 56.32 2b0h s SER 1940Cb 0.13 1.85 1.22 0.00 0.21 0.00 0.00 66.02 69.43 2b0h s SER 1940CO 0.55 -0.11 1.91 1.55 0.41 0.00 0.00 173.24 177.55 2b0h h PRO 1941N 5.91 0.00 0.00 12.44 0.13 -1.59 -2.96 132.00 145.93 2b0h h PRO 1941Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 2b0h h PRO 1941Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2b0h h PRO 1941CO 0.06 0.00 -0.36 0.66 -0.23 0.00 0.00 178.00 178.13 2b0h h SER 1942N 0.00 0.00 -3.41 1.44 4.64 -1.96 -3.43 113.55 110.83 2b0h h SER 1942Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 2b0h h SER 1942Cb 0.53 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.56 2b0h h SER 1942CO 0.00 0.36 1.00 -1.81 -0.87 0.00 0.00 176.83 175.51 2b0h s ASP 1943N -6.39 6.52 0.25 4.97 1.01 -1.12 -4.89 116.67 117.03 2b0h s ASP 1943Ca 0.05 0.77 0.05 0.00 0.71 0.00 0.00 52.55 54.13 2b0h s ASP 1943Cb 0.07 -2.54 0.31 0.00 1.01 0.00 0.00 42.92 41.77 2b0h s ASP 1943CO 0.72 -1.29 1.60 1.62 0.21 0.00 0.00 175.17 178.03 2b0h h VAL 1944N 6.28 1.36 -0.19 -1.27 3.04 -1.89 -3.23 116.25 120.36 2b0h h VAL 1944Ca -0.25 -1.84 -0.00 0.00 -1.01 0.00 0.00 66.70 63.59 2b0h h VAL 1944Cb 1.09 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 32.27 2b0h h VAL 1944CO 1.09 0.55 0.11 1.88 -1.01 0.00 0.00 177.57 180.19 2b0h h TYR 1945N 0.18 0.25 -0.75 3.17 0.05 -1.97 -1.02 116.97 116.87 2b0h h TYR 1945Ca 0.00 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2b0h h TYR 1945Cb 1.02 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.64 2b0h h TYR 1945CO 0.02 0.20 0.50 1.15 -1.05 0.00 0.00 178.16 178.98 2b0h h THR 1946N 0.23 1.19 -0.15 -2.88 2.02 -1.94 -2.62 112.91 108.75 2b0h h THR 1946Ca 0.07 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2b0h h THR 1946Cb 0.02 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2b0h h THR 1946CO -0.01 0.19 0.09 0.50 0.37 0.00 0.00 175.52 176.65 2b0h h LYS 1947N 1.01 0.21 -0.61 6.66 3.64 -1.32 -2.85 116.57 123.31 2b0h h LYS 1947Ca 0.28 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2b0h h LYS 1947Cb -0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2b0h h LYS 1947CO -0.06 0.22 0.18 0.87 -2.27 0.00 0.00 179.45 178.39 2b0h h LYS 1948N 0.15 0.94 -0.15 1.90 1.57 -0.87 -0.93 116.57 119.18 2b0h h LYS 1948Ca 0.05 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 2b0h h LYS 1948Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2b0h h LYS 1948CO -0.01 0.81 -0.08 0.93 -0.57 0.00 0.00 179.45 180.53 2b0h h GLU 1949N 0.91 0.23 0.15 3.15 5.08 -1.40 0.27 114.58 122.97 2b0h h GLU 1949Ca 0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2b0h h GLU 1949Cb 0.28 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2b0h h GLU 1949CO -0.01 0.33 -0.07 1.25 -1.00 0.00 0.00 179.01 179.51 2b0h h LEU 1950N 0.23 -0.17 -0.50 1.33 6.46 -0.96 -1.03 115.31 120.67 2b0h h LEU 1950Ca 0.05 -0.24 0.03 0.00 -0.12 0.00 0.00 57.88 57.61 2b0h h LEU 1950Cb 0.30 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 2b0h h LEU 1950CO 0.01 0.15 0.27 0.40 -0.62 0.00 0.00 178.44 178.66 2b0h h ILE 1951N -0.50 1.00 -0.71 4.05 5.03 -0.94 -1.39 117.51 124.05 2b0h h ILE 1951Ca -0.02 -0.19 0.02 0.00 -0.12 0.00 0.00 64.86 64.55 2b0h h ILE 1951Cb 0.39 0.41 -0.04 0.00 -3.03 0.00 0.00 36.82 34.56 2b0h h ILE 1951CO 0.03 0.10 0.47 -0.33 -0.68 0.00 0.00 178.15 177.74 2b0h h GLU 1952N 0.54 0.89 -0.01 2.37 4.39 -0.42 -1.83 114.58 120.52 2b0h h GLU 1952Ca 0.21 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 2b0h h GLU 1952Cb 0.08 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2b0h h GLU 1952CO -0.12 0.59 -0.38 0.00 -1.16 0.00 0.00 179.01 177.93 2b0h h ALA 1954N 0.29 0.99 0.00 0.00 0.00 -1.05 -0.83 119.26 118.66 2b0h h ALA 1954Ca -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2b0h h ALA 1954Cb 1.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2b0h h ALA 1954CO 0.08 0.57 -0.16 0.07 0.00 0.00 0.00 179.25 179.80 2b0h h ARG 1955N 1.08 0.00 0.12 0.00 0.11 -1.45 0.24 114.38 114.49 2b0h h ARG 1955Ca 0.26 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 60.05 2b0h h ARG 1955Cb 0.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 2b0h h ARG 1955CO -0.03 0.16 -1.37 0.00 0.10 0.00 0.00 179.97 178.83 2b0h h ARG 1956N 0.00 0.25 0.00 0.08 3.08 -1.28 -3.26 114.38 113.24 2b0h h ARG 1956Ca -0.00 -0.43 -0.19 0.00 0.07 0.00 0.00 59.98 59.43 2b0h h ARG 1956Cb 0.29 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 2b0h h ARG 1956CO 0.02 1.15 -0.91 -0.39 -1.07 0.00 0.00 179.97 178.77 2b0h h VAL 1957N 0.07 1.52 0.00 2.04 -1.51 -0.88 -3.05 116.25 114.43 2b0h h VAL 1957Ca -0.18 -3.16 -0.03 0.00 -1.23 0.00 0.00 66.70 62.11 2b0h h VAL 1957Cb 1.99 2.75 -0.00 0.00 -2.13 0.00 0.00 31.29 33.89 2b0h h VAL 1957CO 0.18 0.86 -0.12 0.77 -1.23 0.00 0.00 177.57 178.03 2b0h h SER 1958N 0.00 0.00 -0.08 4.19 4.64 -1.05 0.29 113.55 121.54 2b0h h SER 1958Ca -0.02 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 2b0h h SER 1958Cb 1.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.80 2b0h h SER 1958CO 0.12 0.12 -0.86 -0.33 -0.87 0.00 0.00 176.83 175.01 2b0h h GLU 1959N 0.00 0.75 -0.13 4.77 4.39 -1.59 -3.29 114.58 119.49 2b0h h GLU 1959Ca -0.00 -0.67 -0.06 0.00 0.34 0.00 0.00 59.36 58.97 2b0h h GLU 1959Cb 0.38 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2b0h h GLU 1959CO 0.02 1.27 -0.20 0.87 -1.16 0.00 0.00 179.01 179.80 2b0h h LYS 1960N 0.49 0.22 -0.39 2.33 1.57 -0.90 -1.51 116.57 118.37 2b0h h LYS 1960Ca -0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2b0h h LYS 1960Cb 1.50 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 2b0h h LYS 1960CO 0.17 0.42 0.02 -0.39 -0.57 0.00 0.00 179.45 179.10 2b0h h VAL 1961N 0.20 1.21 0.00 0.50 -1.51 -1.23 -0.76 116.25 114.66 2b0h h VAL 1961Ca 0.04 -0.82 -0.06 0.00 -1.23 0.00 0.00 66.70 64.62 2b0h h VAL 1961Cb 0.48 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 2b0h h VAL 1961CO 0.03 0.29 -0.30 0.28 -1.23 0.00 0.00 177.57 176.64 2b0h h SER 1962N 0.59 0.00 0.76 4.19 0.02 -1.38 -2.06 113.55 115.68 2b0h h SER 1962Ca 0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 2b0h h SER 1962Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2b0h h SER 1962CO 0.01 0.30 -0.61 0.45 -1.14 0.00 0.00 176.83 175.84 2b0h h HIS 1963N 0.00 0.00 -0.05 3.45 -0.00 -0.35 -0.02 115.15 118.17 2b0h h HIS 1963Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2b0h h HIS 1963Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2b0h h HIS 1963CO 0.00 0.61 0.00 0.28 -0.00 0.00 0.00 177.93 178.82 2b0h h VAL 1964N 0.00 1.24 -0.61 2.45 2.07 -0.85 -2.12 116.25 118.44 2b0h h VAL 1964Ca -0.01 -0.74 0.12 0.00 0.82 0.00 0.00 66.70 66.90 2b0h h VAL 1964Cb 1.16 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 32.47 2b0h h VAL 1964CO 0.08 0.20 0.09 -0.07 0.02 0.00 0.00 177.57 177.89 2b0h h LEU 1965N -0.19 -0.08 -1.16 2.57 3.38 -1.05 -0.20 115.31 118.59 2b0h h LEU 1965Ca 0.02 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2b0h h LEU 1965Cb 0.32 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2b0h h LEU 1965CO 0.00 -0.03 0.14 0.00 0.09 0.00 0.00 178.44 178.64 2b0h h ALA 1966N 1.51 1.32 -0.28 1.53 0.00 -0.96 -1.32 119.26 121.05 2b0h h ALA 1966Ca 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2b0h h ALA 1966Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2b0h h ALA 1966CO -0.44 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.22 2b0h h ALA 1967N 1.44 0.39 0.00 0.00 0.00 -0.37 -2.18 119.26 118.54 2b0h h ALA 1967Ca 0.16 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2b0h h ALA 1967Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2b0h h ALA 1967CO -0.01 0.20 -0.50 -0.07 0.00 0.00 0.00 179.25 178.87 2b0h h LEU 1968N 0.30 0.00 -0.54 0.00 -0.00 -1.06 -2.57 115.31 111.45 2b0h h LEU 1968Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2b0h h LEU 1968Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2b0h h LEU 1968CO 0.03 0.50 -0.01 0.00 -0.00 0.00 0.00 178.44 178.96 2b0h n GLN 1969N -3.82 1.33 -2.59 1.13 6.02 -0.51 -4.77 117.38 114.17 2b0h n GLN 1969Ca -0.01 -0.54 -0.43 0.00 -0.01 0.00 0.00 57.00 56.01 2b0h n GLN 1969Cb 0.54 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 2b0h n GLN 1969CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b0h s ALA 1970N -2.04 3.17 0.06 -1.58 0.00 -0.83 -5.00 121.76 115.54 2b0h s ALA 1970Ca 0.41 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2b0h s ALA 1970Cb 0.21 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2b0h s ALA 1970CO 0.36 -2.21 -0.11 0.20 0.00 0.00 0.00 175.76 174.00 2b0h s GLY 1971N 2.50 0.72 0.00 0.00 0.00 -1.26 -4.95 107.32 104.33 2b0h s GLY 1971Ca 0.49 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 44.36 2b0h s GLY 1971CO 0.31 -0.98 0.84 1.16 0.00 0.00 0.00 173.10 174.43 2b0h n ASN 1972N 1.24 1.89 0.00 1.64 6.94 -1.26 -5.20 115.26 120.51 2b0h n ASN 1972Ca -0.21 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 2b0h n ASN 1972Cb 0.55 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 2b0h n ASN 1972CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09