#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 0.92 0.30 -0.61 1.01 -1.26 -5.11 121.20 116.45 2b0h s ILE 1838Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 2b0h s ILE 1838Cb 0.00 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.44 2b0h s ILE 1838CO 0.00 0.34 1.11 -1.81 0.00 0.00 0.00 174.94 174.58 2b0h s ASP 1839N 1.52 7.14 -0.08 3.58 1.11 -1.26 -4.09 116.67 124.60 2b0h s ASP 1839Ca 0.01 2.26 0.03 0.00 0.18 0.00 0.00 52.55 55.04 2b0h s ASP 1839Cb -0.13 -2.62 0.22 0.00 1.07 0.00 0.00 42.92 41.46 2b0h s ASP 1839CO -0.05 -0.24 0.92 -0.81 1.18 0.00 0.00 175.17 176.17 2b0h n PRO 1840N 0.94 1.95 -2.47 8.23 -0.05 -1.26 -4.45 135.00 137.90 2b0h n PRO 1840Ca 0.00 -0.86 -0.43 0.00 -0.05 0.00 0.00 63.50 62.16 2b0h n PRO 1840Cb 0.45 -1.64 -0.02 0.00 -0.05 0.00 0.00 33.50 32.24 2b0h n PRO 1840CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 175.50 175.57 2b0h s PHE 1841N -1.38 3.03 -0.51 0.54 5.36 -1.26 -3.60 117.98 120.15 2b0h s PHE 1841Ca 0.15 1.14 -0.22 0.00 -0.96 0.00 0.00 56.93 57.04 2b0h s PHE 1841Cb 0.12 -3.44 0.03 0.00 -0.34 0.00 0.00 43.02 39.39 2b0h s PHE 1841CO 0.04 -1.41 0.64 0.25 -1.46 0.00 0.00 175.22 173.28 2b0h n THR 1842N 5.09 -7.33 -2.79 0.12 -2.24 -1.26 -4.29 114.28 101.58 2b0h n THR 1842Ca 0.13 0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 62.19 2b0h n THR 1842Cb 0.46 -5.31 0.01 0.00 -2.10 0.00 0.00 70.33 63.39 2b0h n THR 1842CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2b0h n MET 1843N -0.66 -2.22 -3.78 -0.78 2.81 -1.26 -5.05 117.12 106.19 2b0h n MET 1843Ca -0.02 2.02 -0.15 0.00 -1.81 0.00 0.00 57.70 57.74 2b0h n MET 1843Cb 0.58 -5.48 -0.16 0.00 -0.71 0.00 0.00 33.22 27.45 2b0h n MET 1843CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2b0h s GLY 1844N -2.55 0.07 -0.19 3.03 0.00 -1.24 -5.00 107.32 101.44 2b0h s GLY 1844Ca 0.23 0.33 -0.01 0.00 0.00 0.00 0.00 44.72 45.26 2b0h s GLY 1844CO 0.73 0.67 -0.11 -0.35 0.00 0.00 0.00 173.10 174.04 2b0h s ASP 1845N 0.98 3.85 0.00 1.64 2.15 -1.26 -4.23 116.67 119.80 2b0h s ASP 1845Ca -0.08 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.43 2b0h s ASP 1845Cb -0.11 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2b0h s ASP 1845CO -0.03 0.02 0.99 -0.81 -0.17 0.00 0.00 175.17 175.18 2b0h n PRO 1846N 4.50 0.00 -4.00 4.34 -0.04 -1.26 -4.53 135.00 134.01 2b0h n PRO 1846Ca -0.19 0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 63.50 2b0h n PRO 1846Cb 0.51 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2b0h n PRO 1846CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2b0h s GLU 1847N -2.98 2.58 0.42 0.54 1.03 -1.26 -4.20 118.70 114.83 2b0h s GLU 1847Ca 0.00 -1.14 -0.17 0.00 0.03 0.00 0.00 54.97 53.69 2b0h s GLU 1847Cb 0.00 -2.95 -0.09 0.00 -0.80 0.00 0.00 34.13 30.28 2b0h s GLU 1847CO 0.00 -0.48 0.88 0.20 -1.33 0.00 0.00 175.26 174.53 2b0h s GLY 1848N 1.24 2.26 0.00 -3.83 0.00 -1.26 -3.75 107.32 101.97 2b0h s GLY 1848Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.88 2b0h s GLY 1848CO -0.05 0.44 0.00 1.44 0.00 0.00 0.00 173.10 174.93 2b0h n SER 1849N -0.84 0.00 0.25 1.64 7.64 -1.26 -4.76 113.62 116.29 2b0h n SER 1849Ca 0.05 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.01 2b0h n SER 1849Cb 0.54 -0.41 0.62 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.00 1.43 3.57 -1.82 -2.35 116.94 117.77 2b0h h PHE 1850Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2b0h h PHE 1850Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2b0h h PHE 1850CO 0.00 0.06 -0.14 -0.39 -2.23 0.00 0.00 178.31 175.61 2b0h h VAL 1851N 0.00 1.03 -0.01 1.41 -1.51 -1.86 0.15 116.25 115.46 2b0h h VAL 1851Ca -0.00 -0.49 -0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2b0h h VAL 1851Cb 0.11 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 2b0h h VAL 1851CO 0.01 0.14 -0.01 0.44 -1.23 0.00 0.00 177.57 176.91 2b0h h ASP 1852N 0.00 0.03 0.25 4.19 3.32 -1.82 -1.98 116.42 120.40 2b0h h ASP 1852Ca -0.00 -0.57 -0.14 0.00 0.02 0.00 0.00 57.03 56.34 2b0h h ASP 1852Cb 0.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2b0h h ASP 1852CO 0.02 0.59 -0.53 1.88 -1.72 0.00 0.00 179.24 179.48 2b0h h TYR 1853N -0.54 0.39 0.72 4.55 0.05 -1.57 -2.99 116.97 117.59 2b0h h TYR 1853Ca 0.00 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 2b0h h TYR 1853Cb 0.59 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2b0h h TYR 1853CO 0.12 0.78 -0.47 0.37 -1.05 0.00 0.00 178.16 177.92 2b0h h GLN 1854N 0.24 -1.08 -0.54 4.88 4.15 -0.70 -2.93 115.11 119.12 2b0h h GLN 1854Ca 0.01 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2b0h h GLN 1854Cb 1.02 0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.93 2b0h h GLN 1854CO 0.09 -0.72 0.36 1.15 -1.93 0.00 0.00 178.83 177.77 2b0h h THR 1855N -1.12 1.07 -0.20 2.39 2.02 -1.36 -2.27 112.91 113.44 2b0h h THR 1855Ca -0.09 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 2b0h h THR 1855Cb 0.91 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2b0h h THR 1855CO 0.08 0.12 -0.15 0.00 0.37 0.00 0.00 175.52 175.94 2b0h h THR 1856N 0.63 1.32 0.00 3.16 1.03 -1.45 -3.00 112.91 114.61 2b0h h THR 1856Ca 0.22 -1.27 -0.15 0.00 -0.01 0.00 0.00 66.41 65.19 2b0h h THR 1856Cb 0.08 1.73 -0.02 0.00 -1.07 0.00 0.00 68.15 68.86 2b0h h THR 1856CO -0.06 0.38 -0.82 0.00 -0.01 0.00 0.00 175.52 175.02 2b0h h MET 1857N 0.12 0.00 0.00 0.00 -0.00 -1.32 -2.43 114.93 111.30 2b0h h MET 1857Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.68 2b0h h MET 1857Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.26 2b0h h MET 1857CO 0.04 0.64 -0.28 -0.39 -0.00 0.00 0.00 176.91 176.92 2b0h h VAL 1858N 0.00 1.13 -0.13 -0.10 -1.51 -1.46 0.74 116.25 114.91 2b0h h VAL 1858Ca -0.04 -0.99 -0.19 0.00 -1.23 0.00 0.00 66.70 64.25 2b0h h VAL 1858Cb 1.56 1.54 0.01 0.00 -2.13 0.00 0.00 31.29 32.27 2b0h h VAL 1858CO 0.08 0.28 -0.67 0.03 -1.23 0.00 0.00 177.57 176.06 2b0h h ARG 1859N 0.00 0.69 -0.53 5.19 2.47 -1.35 -2.81 114.38 118.04 2b0h h ARG 1859Ca -0.00 -0.56 -0.06 0.00 -1.26 0.00 0.00 59.98 58.09 2b0h h ARG 1859Cb 0.52 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 2b0h h ARG 1859CO 0.04 1.18 0.08 1.15 0.56 0.00 0.00 179.97 182.97 2b0h h THR 1860N 0.37 1.23 -0.82 2.04 2.02 -0.99 -0.37 112.91 116.40 2b0h h THR 1860Ca -0.05 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.23 2b0h h THR 1860Cb 1.31 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 2b0h h THR 1860CO 0.14 0.33 0.53 0.00 0.37 0.00 0.00 175.52 176.89 2b0h h ALA 1861N 1.29 1.04 -0.59 6.16 0.00 -0.85 0.89 119.26 127.19 2b0h h ALA 1861Ca 0.17 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2b0h h ALA 1861Cb 0.36 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2b0h h ALA 1861CO 0.01 0.46 0.04 0.87 0.00 0.00 0.00 179.25 180.63 2b0h h LYS 1862N 1.11 1.00 -0.64 0.00 1.57 -1.16 -0.57 116.57 117.89 2b0h h LYS 1862Ca 0.30 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2b0h h LYS 1862Cb -0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 2b0h h LYS 1862CO -0.06 0.96 0.32 0.00 -0.57 0.00 0.00 179.45 180.10 2b0h h ALA 1863N 1.11 0.82 -0.34 3.86 0.00 -0.25 -0.64 119.26 123.82 2b0h h ALA 1863Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2b0h h ALA 1863Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2b0h h ALA 1863CO 0.02 0.36 0.11 0.82 0.00 0.00 0.00 179.25 180.56 2b0h h ILE 1864N 0.87 1.20 -0.58 0.00 2.04 -0.62 -2.46 117.51 117.97 2b0h h ILE 1864Ca 0.22 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.46 2b0h h ILE 1864Cb 0.09 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2b0h h ILE 1864CO -0.03 0.23 0.33 0.00 0.00 0.00 0.00 178.15 178.67 2b0h h ALA 1865N 0.95 0.76 -0.16 1.87 0.00 -0.68 -0.31 119.26 121.69 2b0h h ALA 1865Ca 0.11 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2b0h h ALA 1865Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2b0h h ALA 1865CO -0.00 0.02 -0.28 -0.24 0.00 0.00 0.00 179.25 178.74 2b0h h VAL 1866N 0.63 1.26 0.32 0.00 3.04 -1.09 -1.61 116.25 118.81 2b0h h VAL 1866Ca 0.25 -1.23 -0.02 0.00 -1.01 0.00 0.00 66.70 64.70 2b0h h VAL 1866Cb 0.11 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2b0h h VAL 1866CO -0.14 0.38 -0.15 0.74 -1.01 0.00 0.00 177.57 177.38 2b0h h THR 1867N 0.26 0.70 -0.19 3.17 2.02 -0.75 0.73 112.91 118.87 2b0h h THR 1867Ca 0.04 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2b0h h THR 1867Cb 0.64 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2b0h h THR 1867CO 0.05 0.06 0.10 -0.37 0.37 0.00 0.00 175.52 175.73 2b0h h VAL 1868N -0.60 1.06 -0.00 3.16 -1.51 -0.96 0.16 116.25 117.57 2b0h h VAL 1868Ca -0.04 -0.17 -0.19 0.00 -1.23 0.00 0.00 66.70 65.07 2b0h h VAL 1868Cb 0.44 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 2b0h h VAL 1868CO 0.07 0.07 -0.85 -0.61 -1.23 0.00 0.00 177.57 175.02 2b0h h GLN 1869N 0.25 0.16 -0.25 5.19 5.75 -1.13 -2.11 115.11 122.97 2b0h h GLN 1869Ca 0.07 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 2b0h h GLN 1869Cb 0.02 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2b0h h GLN 1869CO -0.01 0.91 -0.11 0.93 -2.65 0.00 0.00 178.83 177.91 2b0h h GLU 1870N 0.09 0.52 -0.26 1.69 5.08 0.74 -2.84 114.58 119.60 2b0h h GLU 1870Ca -0.03 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2b0h h GLU 1870Cb 1.47 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 2b0h h GLU 1870CO 0.13 0.77 -0.05 0.52 -1.00 0.00 0.00 179.01 179.37 2b0h h MET 1871N 0.25 0.01 -0.02 2.33 2.86 -0.58 0.28 114.93 120.06 2b0h h MET 1871Ca 0.06 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2b0h h MET 1871Cb 0.60 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2b0h h MET 1871CO 0.03 0.01 -0.32 -0.39 1.06 0.00 0.00 176.91 177.30 2b0h h VAL 1872N 0.01 1.24 -0.07 -2.22 -1.51 -1.45 0.07 116.25 112.33 2b0h h VAL 1872Ca 0.12 -1.15 -0.02 0.00 -1.23 0.00 0.00 66.70 64.43 2b0h h VAL 1872Cb 0.18 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2b0h h VAL 1872CO -0.26 0.33 -0.03 0.74 -1.23 0.00 0.00 177.57 177.12 2b0h h THR 1873N 0.04 1.33 -0.61 7.19 2.02 -1.00 -3.02 112.91 118.86 2b0h h THR 1873Ca 0.00 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.20 2b0h h THR 1873Cb 0.59 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 2b0h h THR 1873CO 0.04 0.29 0.40 0.11 0.37 0.00 0.00 175.52 176.73 2b0h h LYS 1874N -0.25 0.57 0.00 6.66 1.79 -0.07 -1.86 116.57 123.40 2b0h h LYS 1874Ca 0.01 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2b0h h LYS 1874Cb 0.48 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2b0h h LYS 1874CO 0.01 0.38 0.00 0.43 -1.08 0.00 0.00 179.45 179.19 2b0h n SER 1875N -4.48 0.09 -0.04 0.86 7.64 -0.02 0.18 113.62 117.85 2b0h n SER 1875Ca 0.09 0.54 -0.18 0.00 1.01 0.00 0.00 58.87 60.33 2b0h n SER 1875Cb 0.24 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 62.75 2b0h n SER 1875CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2b0h n ASN 1876N -1.61 1.73 0.00 6.43 3.02 -0.70 -4.70 115.26 119.43 2b0h n ASN 1876Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2b0h n ASN 1876Cb 0.03 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2b0h n ASN 1876CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2b0h n THR 1877N -3.30 0.00 -3.60 3.41 -2.24 -0.76 -4.97 114.28 102.82 2b0h n THR 1877Ca -0.33 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.16 2b0h n THR 1877Cb 1.04 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.35 3.03 0.38 3.42 0.01 0.48 -4.91 113.70 113.75 2b0h s SER 1878Ca 0.00 -2.91 0.14 0.00 1.31 0.00 0.00 55.95 54.49 2b0h s SER 1878Cb 0.00 -0.84 0.74 0.00 0.21 0.00 0.00 66.02 66.13 2b0h s SER 1878CO 0.00 -0.21 1.82 -0.65 0.41 0.00 0.00 173.24 174.61 2b0h h PRO 1879N 6.19 0.00 -0.46 12.44 0.11 -1.88 -3.18 132.00 145.22 2b0h h PRO 1879Ca 0.12 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 2b0h h PRO 1879Cb 0.90 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 2b0h h PRO 1879CO 0.45 0.37 -0.13 0.93 -0.21 0.00 0.00 178.00 179.41 2b0h h GLU 1880N 0.00 0.86 0.00 1.05 3.07 -1.90 -2.67 114.58 114.99 2b0h h GLU 1880Ca -0.00 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 2b0h h GLU 1880Cb 0.68 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2b0h h GLU 1880CO 0.05 0.94 0.00 0.93 -1.40 0.00 0.00 179.01 179.53 2b0h h GLU 1881N 0.77 0.00 0.00 2.33 4.39 -1.91 -2.64 114.58 117.51 2b0h h GLU 1881Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2b0h h GLU 1881Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2b0h h GLU 1881CO 0.04 0.00 0.00 -0.07 -1.16 0.00 0.00 179.01 177.82 2b0h h LEU 1882N 0.00 0.00 0.63 1.33 3.38 -1.59 -3.03 115.31 116.03 2b0h h LEU 1882Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2b0h h LEU 1882Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2b0h h LEU 1882CO 0.00 0.00 -0.30 1.23 0.09 0.00 0.00 178.44 179.46 2b0h h GLY 1883N 3.11 -0.88 1.73 0.83 0.00 -1.63 -2.34 103.07 103.88 2b0h h GLY 1883Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 2b0h h GLY 1883CO 0.00 -0.32 -0.03 -0.56 0.00 0.00 0.00 176.54 175.63 2b0h h PRO 1884N -1.06 0.34 -0.31 4.80 0.13 -1.78 -2.89 132.00 131.22 2b0h h PRO 1884Ca -0.09 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 2b0h h PRO 1884Cb 0.65 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 2b0h h PRO 1884CO 0.14 0.40 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.10 2b0h h LEU 1885N 0.33 0.53 -0.58 1.56 3.38 -1.56 0.26 115.31 119.23 2b0h h LEU 1885Ca 0.07 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2b0h h LEU 1885Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2b0h h LEU 1885CO 0.01 0.69 0.11 0.00 0.09 0.00 0.00 178.44 179.34 2b0h h ALA 1886N 1.36 0.76 0.00 1.53 0.00 -1.20 0.44 119.26 122.15 2b0h h ALA 1886Ca 0.09 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2b0h h ALA 1886Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2b0h h ALA 1886CO 0.03 0.50 -0.53 -0.91 0.00 0.00 0.00 179.25 178.34 2b0h h ASN 1887N 0.84 0.00 0.08 0.00 2.35 -1.40 -2.01 115.58 115.44 2b0h h ASN 1887Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2b0h h ASN 1887Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2b0h h ASN 1887CO 0.01 0.53 -0.04 -0.61 -1.65 0.00 0.00 177.43 175.67 2b0h h GLN 1888N 0.00 -0.10 -0.46 0.81 5.75 0.02 -0.42 115.11 120.72 2b0h h GLN 1888Ca -0.01 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2b0h h GLN 1888Cb 0.96 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.48 2b0h h GLN 1888CO 0.07 0.20 0.19 1.25 -2.65 0.00 0.00 178.83 177.89 2b0h h LEU 1889N -0.40 0.23 -1.49 -2.39 6.46 -0.86 0.50 115.31 117.38 2b0h h LEU 1889Ca -0.01 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2b0h h LEU 1889Cb 0.34 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2b0h h LEU 1889CO 0.02 0.17 0.40 0.74 -0.62 0.00 0.00 178.44 179.15 2b0h h THR 1890N 0.38 1.03 0.05 1.05 2.02 -1.28 -0.44 112.91 115.73 2b0h h THR 1890Ca 0.21 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2b0h h THR 1890Cb 0.18 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2b0h h THR 1890CO -0.19 0.12 -0.02 -1.28 0.37 0.00 0.00 175.52 174.52 2b0h h SER 1891N 0.65 -0.05 -0.74 4.18 0.87 0.39 -3.07 113.55 115.76 2b0h h SER 1891Ca 0.26 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2b0h h SER 1891Cb 0.20 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2b0h h SER 1891CO -0.07 0.43 0.40 0.44 -0.53 0.00 0.00 176.83 177.50 2b0h h ASP 1892N -0.56 0.93 -0.94 6.23 3.32 -0.50 -2.12 116.42 122.78 2b0h h ASP 1892Ca -0.01 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.01 2b0h h ASP 1892Cb 0.50 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 2b0h h ASP 1892CO 0.01 0.77 0.59 0.22 -1.72 0.00 0.00 179.24 179.11 2b0h h TYR 1893N 1.03 1.10 -0.54 4.55 3.20 -1.17 -1.60 116.97 123.53 2b0h h TYR 1893Ca 0.26 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.23 2b0h h TYR 1893Cb 0.05 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 2b0h h TYR 1893CO 0.00 0.55 0.36 0.78 -1.64 0.00 0.00 178.16 178.21 2b0h h GLY 1894N 1.07 0.56 0.14 1.82 0.00 -1.28 -0.47 103.07 104.90 2b0h h GLY 1894Ca 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 2b0h h GLY 1894CO -0.18 0.13 -0.00 3.21 0.00 0.00 0.00 176.54 179.69 2b0h h ARG 1895N 0.43 0.00 -0.48 4.80 -0.00 -1.28 -3.10 114.38 114.76 2b0h h ARG 1895Ca 0.24 -0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.78 2b0h h ARG 1895Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.30 2b0h h ARG 1895CO -0.06 0.87 0.17 1.25 0.00 0.00 0.00 179.97 182.19 2b0h h LEU 1896N -0.86 0.17 -1.46 3.04 5.85 -0.90 -0.71 115.31 120.44 2b0h h LEU 1896Ca -0.00 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2b0h h LEU 1896Cb 0.87 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2b0h h LEU 1896CO 0.00 0.13 -0.26 0.00 -0.34 0.00 0.00 178.44 177.97 2b0h h ALA 1897N 1.32 1.28 0.00 1.25 0.00 -1.23 -2.68 119.26 119.21 2b0h h ALA 1897Ca 0.23 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 2b0h h ALA 1897Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2b0h h ALA 1897CO -0.23 0.32 -1.06 1.03 0.00 0.00 0.00 179.25 179.30 2b0h h SER 1898N 0.00 0.00 1.16 0.00 0.87 -1.13 -3.10 113.55 111.35 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 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2b0h h SER 1898CO 0.03 0.93 0.00 0.00 -0.53 0.00 0.00 176.83 177.26 2b0h n GLN 1899N -3.27 0.11 0.05 2.24 6.02 -0.40 -3.43 117.38 118.70 2b0h n GLN 1899Ca -0.03 0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 56.95 2b0h n GLN 1899Cb 0.93 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 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 2.77 0.46 0.67 -1.58 0.00 -1.40 -3.16 119.26 117.02 2b0h h ALA 1900Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2b0h h ALA 1900Cb 0.58 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2b0h h ALA 1900CO 0.00 0.77 -0.32 -0.22 0.00 0.00 0.00 179.25 179.48 2b0h h LYS 1901N 0.29 -0.87 0.00 0.00 3.11 -1.68 -1.97 116.57 115.45 2b0h h LYS 1901Ca -0.06 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2b0h h LYS 1901Cb 1.44 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.87 2b0h h LYS 1901CO 0.15 -0.55 0.00 -1.00 -2.81 0.00 0.00 179.45 175.24 2b0h h PRO 1902N -1.05 0.00 0.02 1.90 0.13 -1.75 -2.17 132.00 129.07 2b0h h PRO 1902Ca -0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.82 2b0h h PRO 1902Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2b0h h PRO 1902CO 0.15 0.00 -0.94 0.00 -0.23 0.00 0.00 178.00 176.98 2b0h h ALA 1903N 2.01 0.42 -0.09 -0.56 0.00 -1.48 -2.06 119.26 117.51 2b0h h ALA 1903Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 54.91 54.02 2b0h h ALA 1903Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2b0h h ALA 1903CO 0.00 0.91 -0.56 0.00 0.00 0.00 0.00 179.25 179.60 2b0h h ALA 1904N 0.87 0.89 0.00 0.00 0.00 -0.69 -1.96 119.26 118.36 2b0h h ALA 1904Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2b0h h ALA 1904Cb 1.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2b0h h ALA 1904CO 0.15 0.70 -0.66 -0.39 0.00 0.00 0.00 179.25 179.05 2b0h h VAL 1905N 0.20 0.00 0.01 0.00 -1.51 -1.58 -3.32 116.25 110.05 2b0h h VAL 1905Ca 0.00 -0.57 -0.17 0.00 -1.23 0.00 0.00 66.70 64.74 2b0h h VAL 1905Cb 1.04 1.15 0.01 0.00 -2.13 0.00 0.00 31.29 31.37 2b0h h VAL 1905CO 0.09 0.00 -0.65 0.00 -1.23 0.00 0.00 177.57 175.78 2b0h h ALA 1906N 2.43 0.07 -2.66 5.19 0.00 -1.01 -3.44 119.26 119.85 2b0h h ALA 1906Ca 0.00 -0.59 -0.52 0.00 0.00 0.00 0.00 54.91 53.80 2b0h h ALA 1906Cb 0.78 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.63 2b0h h ALA 1906CO 0.00 0.38 0.55 0.00 0.00 0.00 0.00 179.25 180.18 2b0h s ALA 1907N -3.18 3.43 -0.21 0.00 0.00 -0.77 -4.63 121.76 116.40 2b0h s ALA 1907Ca -0.13 0.94 0.21 0.00 0.00 0.00 0.00 51.96 52.98 2b0h s ALA 1907Cb 0.04 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2b0h s ALA 1907CO 0.83 -0.36 1.00 -0.85 0.00 0.00 0.00 175.76 176.39 2b0h n GLU 1908N 2.51 0.61 -2.60 0.00 0.28 -1.26 -4.76 120.64 115.42 2b0h n GLU 1908Ca 0.04 0.14 -0.37 0.00 -0.16 0.00 0.00 57.16 56.81 2b0h n GLU 1908Cb 0.45 -1.83 -0.05 0.00 1.43 0.00 0.00 31.44 31.44 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 -5.44 7.03 0.07 -1.84 0.01 -1.26 -4.97 114.94 108.53 2b0h s ASN 1909Ca -0.01 2.02 -0.28 0.00 -0.71 0.00 0.00 52.86 53.87 2b0h s ASN 1909Cb 0.09 -2.59 -0.17 0.00 0.41 0.00 0.00 41.25 38.99 2b0h s ASN 1909CO 0.79 -0.30 1.62 -0.08 -1.51 0.00 0.00 177.10 177.63 2b0h h GLU 1910N 2.95 -0.50 -0.34 -0.60 4.81 -1.97 -3.20 114.58 115.73 2b0h h GLU 1910Ca -0.47 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.70 2b0h h GLU 1910Cb 1.21 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2b0h h GLU 1910CO 0.64 -0.31 -0.14 0.93 -0.73 0.00 0.00 179.01 179.40 2b0h h GLU 1911N -0.56 0.70 -0.06 1.92 5.08 -1.98 -1.62 114.58 118.06 2b0h h GLU 1911Ca -0.05 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.05 2b0h h GLU 1911Cb 0.42 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 2b0h h GLU 1911CO 0.09 0.89 -0.24 0.82 -1.00 0.00 0.00 179.01 179.56 2b0h h ILE 1912N 0.48 0.43 0.00 3.13 2.04 -1.88 0.39 117.51 122.11 2b0h h ILE 1912Ca 0.08 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.85 2b0h h ILE 1912Cb 0.66 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2b0h h ILE 1912CO 0.04 0.00 -0.41 1.23 0.00 0.00 0.00 178.15 179.02 2b0h h GLY 1913N -0.35 0.00 1.14 5.37 0.00 -1.54 -2.88 103.07 104.81 2b0h h GLY 1913Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.16 2b0h h GLY 1913CO -0.26 0.00 -0.96 0.00 0.00 0.00 0.00 176.54 175.33 2b0h h ALA 1914N 1.59 0.13 -0.29 3.60 0.00 -0.25 -3.22 119.26 120.83 2b0h h ALA 1914Ca -0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2b0h h ALA 1914Cb 0.80 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2b0h h ALA 1914CO 0.05 0.63 -0.22 0.45 0.00 0.00 0.00 179.25 180.17 2b0h h HIS 1915N 0.34 0.61 0.30 0.00 3.86 -0.22 -2.02 115.15 118.01 2b0h h HIS 1915Ca -0.12 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2b0h h HIS 1915Cb 1.62 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 29.90 2b0h h HIS 1915CO 0.11 0.72 -0.49 0.82 0.86 0.00 0.00 177.93 179.95 2b0h h ILE 1916N 0.49 0.05 0.00 2.45 2.04 -1.52 -1.40 117.51 119.61 2b0h h ILE 1916Ca 0.08 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2b0h h ILE 1916Cb 0.64 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2b0h h ILE 1916CO 0.05 0.00 -0.36 0.11 0.00 0.00 0.00 178.15 177.95 2b0h h LYS 1917N -0.84 0.00 -0.27 2.37 1.57 -1.56 -2.97 116.57 114.87 2b0h h LYS 1917Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2b0h h LYS 1917Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2b0h h LYS 1917CO -0.17 0.36 0.05 1.25 -0.57 0.00 0.00 179.45 180.37 2b0h h HIS 1918N 0.00 0.46 -0.21 -1.35 2.76 -0.94 -1.63 115.15 114.24 2b0h h HIS 1918Ca -0.00 -0.06 -0.18 0.00 -2.20 0.00 0.00 60.37 57.93 2b0h h HIS 1918Cb 0.76 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 2b0h h HIS 1918CO 0.00 0.53 -0.58 0.00 -1.30 0.00 0.00 177.93 176.59 2b0h h ARG 1919N 0.26 0.67 0.00 5.26 2.47 -1.16 -1.86 114.38 120.03 2b0h h ARG 1919Ca 0.08 -0.44 -0.11 0.00 -1.26 0.00 0.00 59.98 58.25 2b0h h ARG 1919Cb 0.31 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2b0h h ARG 1919CO 0.00 1.06 -0.52 -0.39 0.56 0.00 0.00 179.97 180.69 2b0h h VAL 1920N 0.51 1.26 -0.43 2.04 -1.51 -1.52 -0.38 116.25 116.22 2b0h h VAL 1920Ca 0.00 -1.84 -0.08 0.00 -1.23 0.00 0.00 66.70 63.55 2b0h h VAL 1920Cb 1.15 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 2b0h h VAL 1920CO 0.12 0.51 -0.05 -0.61 -1.23 0.00 0.00 177.57 176.31 2b0h h GLN 1921N 0.00 0.79 -0.67 5.19 4.15 -1.05 0.63 115.11 124.15 2b0h h GLN 1921Ca -0.01 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.06 2b0h h GLN 1921Cb 0.98 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.59 2b0h h GLN 1921CO 0.07 0.89 0.12 0.93 -1.93 0.00 0.00 178.83 178.90 2b0h h GLU 1922N 0.62 1.10 -0.23 1.69 5.08 -1.08 -2.59 114.58 119.18 2b0h h GLU 1922Ca 0.12 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2b0h h GLU 1922Cb 0.56 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2b0h h GLU 1922CO 0.03 1.01 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.88 2b0h h LEU 1923N 1.03 0.34 -0.65 1.33 3.38 -0.83 -2.57 115.31 117.34 2b0h h LEU 1923Ca 0.20 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2b0h h LEU 1923Cb 0.43 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2b0h h LEU 1923CO 0.01 0.48 0.27 1.23 0.09 0.00 0.00 178.44 180.53 2b0h h GLY 1924N 0.81 0.94 1.86 0.83 0.00 -0.46 0.36 103.07 107.41 2b0h h GLY 1924Ca 0.07 -0.15 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 2b0h h GLY 1924CO 0.02 -0.00 -0.99 0.45 0.00 0.00 0.00 176.54 176.01 2b0h h HIS 1925N 0.47 0.19 -0.36 5.60 3.86 -1.54 -2.92 115.15 120.45 2b0h h HIS 1925Ca 0.33 -0.12 -0.16 0.00 -1.16 0.00 0.00 60.37 59.26 2b0h h HIS 1925Cb 0.40 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2b0h h HIS 1925CO -0.15 1.03 -0.38 0.78 0.86 0.00 0.00 177.93 180.07 2b0h h GLY 1926N 2.29 0.98 0.96 2.45 0.00 -0.95 -2.22 103.07 106.59 2b0h h GLY 1926Ca -0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 47.33 46.20 2b0h h GLY 1926CO 0.14 0.92 0.00 0.00 0.00 0.00 0.00 176.54 177.61 2b0h h SER 1928N 0.59 0.38 -0.19 0.00 4.64 -1.50 0.10 113.55 117.58 2b0h h SER 1928Ca 0.12 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2b0h h SER 1928Cb 0.48 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2b0h h SER 1928CO 0.02 0.57 -0.15 0.00 -0.87 0.00 0.00 176.83 176.40 2b0h h ALA 1929N 1.47 0.27 0.02 5.18 0.00 -1.22 -2.76 119.26 122.22 2b0h h ALA 1929Ca 0.07 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2b0h h ALA 1929Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2b0h h ALA 1929CO 0.03 0.16 -0.01 1.25 0.00 0.00 0.00 179.25 180.68 2b0h h LEU 1930N 0.10 -0.02 -1.83 0.00 6.46 -0.67 -1.38 115.31 117.97 2b0h h LEU 1930Ca 0.03 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2b0h h LEU 1930Cb 0.68 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2b0h h LEU 1930CO 0.04 0.09 -0.13 -0.37 -0.62 0.00 0.00 178.44 177.45 2b0h h VAL 1931N -0.14 0.93 -0.21 1.05 -1.51 -1.06 0.26 116.25 115.57 2b0h h VAL 1931Ca -0.00 -0.47 -0.17 0.00 -1.23 0.00 0.00 66.70 64.83 2b0h h VAL 1931Cb 0.13 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2b0h h VAL 1931CO 0.00 0.13 -0.54 0.74 -1.23 0.00 0.00 177.57 176.67 2b0h h THR 1932N 0.00 1.30 -0.62 7.19 2.02 -1.17 -0.69 112.91 120.95 2b0h h THR 1932Ca -0.00 -1.75 -0.08 0.00 0.77 0.00 0.00 66.41 65.34 2b0h h THR 1932Cb 0.25 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2b0h h THR 1932CO 0.02 0.55 0.07 0.11 0.37 0.00 0.00 175.52 176.64 2b0h h LYS 1933N 0.45 1.04 -0.14 6.66 1.79 -0.12 -0.40 116.57 125.85 2b0h h LYS 1933Ca -0.01 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2b0h h LYS 1933Cb 1.15 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 2b0h h LYS 1933CO 0.12 0.99 0.09 0.00 -1.08 0.00 0.00 179.45 179.56 2b0h h ALA 1934N 1.01 0.18 -0.02 3.86 0.00 -0.50 0.82 119.26 124.61 2b0h h ALA 1934Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2b0h h ALA 1934Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2b0h h ALA 1934CO 0.02 -0.32 -0.18 0.78 0.00 0.00 0.00 179.25 179.55 2b0h h GLY 1935N 0.17 0.03 0.59 0.00 0.00 -0.95 0.00 103.07 102.92 2b0h h GLY 1935Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 2b0h h GLY 1935CO -0.01 0.02 -0.31 0.00 0.00 0.00 0.00 176.54 176.24 2b0h h ALA 1936N 1.79 0.08 0.00 3.60 0.00 -0.56 -3.00 119.26 121.17 2b0h h ALA 1936Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2b0h h ALA 1936Cb 0.34 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2b0h h ALA 1936CO 0.02 0.15 -0.36 1.25 0.00 0.00 0.00 179.25 180.31 2b0h h LEU 1937N -0.30 0.00 -1.68 0.00 5.85 -0.67 0.53 115.31 119.03 2b0h h LEU 1937Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2b0h h LEU 1937Cb 1.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2b0h h LEU 1937CO 0.06 0.36 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.73 2b0h h GLN 1938N 0.00 0.00 0.10 1.25 -0.00 -1.00 -2.00 115.11 113.45 2b0h h GLN 1938Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 58.38 2b0h h GLN 1938Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.16 2b0h h GLN 1938CO 0.05 0.19 -1.36 0.00 0.00 0.00 0.00 178.83 177.71 2b0h s SER 1940N -6.98 3.86 0.00 0.00 0.01 0.07 -4.96 113.70 105.70 2b0h s SER 1940Ca -0.21 -2.36 0.28 0.00 1.31 0.00 0.00 55.95 54.96 2b0h s SER 1940Cb 0.04 -1.06 0.98 0.00 0.21 0.00 0.00 66.02 66.18 2b0h s SER 1940CO 0.75 -0.31 1.73 -0.81 0.41 0.00 0.00 173.24 175.01 2b0h n PRO 1941N 3.90 0.17 0.05 12.44 -0.04 -0.78 -3.70 135.00 147.04 2b0h n PRO 1941Ca 0.05 -0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 2b0h n PRO 1941Cb 0.37 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.57 2b0h n PRO 1941CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2b0h n SER 1942N -1.36 0.65 -4.59 3.54 7.64 -1.26 -4.72 113.62 113.51 2b0h n SER 1942Ca 0.08 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 2b0h n SER 1942Cb 0.32 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 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 -4.02 6.60 0.29 6.43 -1.08 -1.24 -4.92 116.67 118.72 2b0h s ASP 1943Ca 0.08 0.46 0.12 0.00 -0.52 0.00 0.00 52.55 52.69 2b0h s ASP 1943Cb 0.14 -2.42 0.40 0.00 -1.46 0.00 0.00 42.92 39.58 2b0h s ASP 1943CO 0.69 -0.76 1.63 1.62 0.52 0.00 0.00 175.17 178.86 2b0h h VAL 1944N 5.76 1.34 -0.46 1.11 3.04 -1.91 -2.87 116.25 122.26 2b0h h VAL 1944Ca -0.24 -2.04 -0.09 0.00 -1.01 0.00 0.00 66.70 63.33 2b0h h VAL 1944Cb 1.09 2.12 -0.02 0.00 -2.01 0.00 0.00 31.29 32.47 2b0h h VAL 1944CO 0.93 0.57 -0.07 1.88 -1.01 0.00 0.00 177.57 179.87 2b0h h TYR 1945N 0.00 0.87 -0.61 3.17 0.05 -1.98 0.68 116.97 119.15 2b0h h TYR 1945Ca -0.01 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.57 2b0h h TYR 1945Cb 1.07 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 2b0h h TYR 1945CO 0.00 0.83 0.14 1.15 -1.05 0.00 0.00 178.16 179.24 2b0h h THR 1946N 0.73 1.25 -0.16 -2.88 2.02 -1.88 -2.74 112.91 109.25 2b0h h THR 1946Ca 0.13 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 2b0h h THR 1946Cb 0.54 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2b0h h THR 1946CO 0.03 0.34 -0.26 0.50 0.37 0.00 0.00 175.52 176.50 2b0h h LYS 1947N 0.88 0.46 -0.09 6.66 3.64 -1.17 -3.14 116.57 123.81 2b0h h LYS 1947Ca 0.19 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2b0h h LYS 1947Cb 0.36 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 2b0h h LYS 1947CO 0.00 0.88 -0.25 0.87 -2.27 0.00 0.00 179.45 178.68 2b0h h LYS 1948N 0.09 -0.32 -0.01 1.90 1.79 0.40 -1.12 116.57 119.30 2b0h h LYS 1948Ca 0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2b0h h LYS 1948Cb 0.84 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2b0h h LYS 1948CO 0.06 -0.21 0.00 0.93 -1.08 0.00 0.00 179.45 179.15 2b0h h GLU 1949N -0.33 0.00 0.41 3.15 4.39 -1.57 0.17 114.58 120.80 2b0h h GLU 1949Ca 0.09 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2b0h h GLU 1949Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2b0h h GLU 1949CO -0.29 0.00 -0.20 1.25 -1.16 0.00 0.00 179.01 178.62 2b0h h LEU 1950N 0.00 -0.47 -0.28 1.33 6.46 -1.17 -0.16 115.31 121.01 2b0h h LEU 1950Ca 0.00 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 2b0h h LEU 1950Cb 0.01 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2b0h h LEU 1950CO -0.00 -0.16 0.11 0.40 -0.62 0.00 0.00 178.44 178.17 2b0h h ILE 1951N -0.79 1.18 0.00 4.05 5.03 -0.83 -1.51 117.51 124.64 2b0h h ILE 1951Ca -0.06 -0.54 -0.02 0.00 -0.12 0.00 0.00 64.86 64.12 2b0h h ILE 1951Cb 0.53 1.00 -0.00 0.00 -3.03 0.00 0.00 36.82 35.32 2b0h h ILE 1951CO 0.09 0.18 -0.12 -0.33 -0.68 0.00 0.00 178.15 177.30 2b0h h GLU 1952N 0.31 0.00 0.24 2.37 5.08 -0.70 -1.83 114.58 120.05 2b0h h GLU 1952Ca 0.09 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.13 2b0h h GLU 1952Cb 0.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.47 2b0h h GLU 1952CO -0.01 0.12 -1.47 0.00 -1.00 0.00 0.00 179.01 176.65 2b0h h ALA 1954N 0.14 1.06 0.00 0.00 0.00 -0.66 -1.55 119.26 118.25 2b0h h ALA 1954Ca -0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2b0h h ALA 1954Cb 2.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2b0h h ALA 1954CO 0.25 0.64 -0.16 0.07 0.00 0.00 0.00 179.25 180.06 2b0h h ARG 1955N 1.06 0.00 -0.01 0.00 -0.00 -1.48 -1.54 114.38 112.41 2b0h h ARG 1955Ca 0.23 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.98 2b0h h ARG 1955Cb 0.28 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 30.27 2b0h h ARG 1955CO -0.01 0.16 -0.90 0.00 -0.00 0.00 0.00 179.97 179.21 2b0h h ARG 1956N 0.00 0.63 0.00 0.08 3.08 -1.31 -3.30 114.38 113.56 2b0h h ARG 1956Ca -0.00 -0.66 -0.06 0.00 0.07 0.00 0.00 59.98 59.33 2b0h h ARG 1956Cb 0.66 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2b0h h ARG 1956CO 0.02 1.26 -0.27 -0.39 -1.07 0.00 0.00 179.97 179.52 2b0h h VAL 1957N 0.26 0.49 0.00 2.04 -1.51 -1.11 -3.20 116.25 113.22 2b0h h VAL 1957Ca -0.11 -1.55 -0.07 0.00 -1.23 0.00 0.00 66.70 63.74 2b0h h VAL 1957Cb 1.57 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 32.85 2b0h h VAL 1957CO 0.18 0.26 -0.33 0.77 -1.23 0.00 0.00 177.57 177.22 2b0h h SER 1958N 0.00 0.00 1.27 4.19 4.64 -1.36 -0.10 113.55 122.20 2b0h h SER 1958Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 2b0h h SER 1958Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2b0h h SER 1958CO 0.03 0.33 -0.74 1.05 -0.87 0.00 0.00 176.83 176.64 2b0h h GLU 1959N 0.00 0.00 -0.19 4.77 4.11 -1.65 -3.20 114.58 118.42 2b0h h GLU 1959Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 2b0h h GLU 1959Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2b0h h GLU 1959CO 0.04 0.63 -0.53 0.87 0.07 0.00 0.00 179.01 180.09 2b0h h LYS 1960N 0.00 0.54 -0.22 1.06 1.79 -1.23 -2.23 116.57 116.27 2b0h h LYS 1960Ca -0.02 -0.33 -0.07 0.00 -2.18 0.00 0.00 60.65 58.04 2b0h h LYS 1960Cb 1.52 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.20 2b0h h LYS 1960CO 0.08 0.94 -0.19 -0.39 -1.08 0.00 0.00 179.45 178.81 2b0h h VAL 1961N 0.42 1.23 0.00 0.50 -1.51 -1.15 -1.41 116.25 114.34 2b0h h VAL 1961Ca 0.01 -1.07 -0.04 0.00 -1.23 0.00 0.00 66.70 64.37 2b0h h VAL 1961Cb 1.07 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 2b0h h VAL 1961CO 0.10 0.34 -0.21 -1.28 -1.23 0.00 0.00 177.57 175.29 2b0h h SER 1962N 0.35 0.00 1.58 4.19 0.87 -1.46 -1.89 113.55 117.19 2b0h h SER 1962Ca 0.06 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 2b0h h SER 1962Cb 0.54 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2b0h h SER 1962CO 0.04 0.21 -0.39 0.45 -0.53 0.00 0.00 176.83 176.60 2b0h h HIS 1963N 0.00 0.00 -0.19 2.24 -0.00 -0.69 -0.71 115.15 115.81 2b0h h HIS 1963Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2b0h h HIS 1963Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 2b0h h HIS 1963CO 0.00 0.39 -0.01 0.28 -0.00 0.00 0.00 177.93 178.59 2b0h h VAL 1964N 0.00 1.26 -0.51 2.45 2.07 -0.86 0.09 116.25 120.74 2b0h h VAL 1964Ca -0.00 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.71 2b0h h VAL 1964Cb 1.29 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 2b0h h VAL 1964CO 0.05 0.27 0.08 -0.07 0.02 0.00 0.00 177.57 177.93 2b0h h LEU 1965N 0.09 -0.04 -0.28 2.57 3.38 -1.04 -0.95 115.31 119.03 2b0h h LEU 1965Ca 0.05 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2b0h h LEU 1965Cb 0.41 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2b0h h LEU 1965CO 0.01 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.36 2b0h h ALA 1966N 1.41 0.40 -0.79 1.53 0.00 -1.10 -1.26 119.26 119.46 2b0h h ALA 1966Ca 0.26 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2b0h h ALA 1966Cb 0.37 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2b0h h ALA 1966CO -0.36 0.33 0.48 0.00 0.00 0.00 0.00 179.25 179.70 2b0h h ALA 1967N 0.73 1.07 -0.14 0.00 0.00 -0.44 -0.25 119.26 120.23 2b0h h ALA 1967Ca 0.06 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2b0h h ALA 1967Cb 0.72 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2b0h h ALA 1967CO 0.05 0.23 -0.69 -0.07 0.00 0.00 0.00 179.25 178.77 2b0h h LEU 1968N 0.90 0.85 0.00 0.00 -0.00 -1.17 -3.10 115.31 112.78 2b0h h LEU 1968Ca 0.34 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2b0h h LEU 1968Cb 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2b0h h LEU 1968CO -0.16 1.34 0.00 0.00 -0.00 0.00 0.00 178.44 179.62 2b0h n GLN 1969N -4.03 0.41 0.28 1.13 6.02 -0.48 -2.33 117.38 118.39 2b0h n GLN 1969Ca -0.08 0.06 0.18 0.00 -0.01 0.00 0.00 57.00 57.16 2b0h n GLN 1969Cb 0.70 -1.50 0.83 0.00 1.02 0.00 0.00 30.24 31.29 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 3.06 1.00 -0.00 -1.58 0.00 -0.98 -1.20 119.26 119.56 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2b0h h ALA 1970CO 0.00 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.59 2b0h n GLY 1971N -0.35 -1.05 3.87 0.00 0.00 -0.98 -4.85 105.19 101.82 2b0h n GLY 1971Ca -0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2b0h n GLY 1971CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b0h s ASN 1972N -2.48 6.66 0.00 1.61 -0.87 -0.45 -4.93 114.94 114.48 2b0h s ASN 1972Ca 0.30 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 52.62 2b0h s ASN 1972Cb 0.20 -2.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.16 2b0h s ASN 1972CO 0.46 -0.13 0.00 -1.14 -2.57 0.00 0.00 177.10 173.73