#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2azm s ALA 1892N 0.00 2.88 0.22 2.41 0.00 -1.26 -4.96 121.76 121.05 2azm s ALA 1892Ca 0.00 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 2azm s ALA 1892Cb 0.00 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.63 2azm s ALA 1892CO 0.00 -0.57 1.08 -2.30 0.00 0.00 0.00 175.76 173.97 2azm n PRO 1893N -0.77 1.18 -3.74 0.00 -0.02 -1.26 -4.68 135.00 125.71 2azm n PRO 1893Ca 0.09 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 2azm n PRO 1893Cb 0.50 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 32.01 2azm n PRO 1893CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2azm s LYS 1894N -0.82 2.63 -0.15 -0.52 3.01 -1.26 -0.36 119.74 122.26 2azm s LYS 1894Ca 0.68 -1.18 -0.03 0.00 -1.01 0.00 0.00 55.97 54.42 2azm s LYS 1894Cb -0.80 -3.48 -0.02 0.00 -1.01 0.00 0.00 37.83 32.51 2azm s LYS 1894CO 0.55 -0.68 -0.06 0.08 0.51 0.00 0.00 175.35 175.75 2azm s VAL 1895N 1.41 3.64 0.10 3.17 1.01 0.70 -0.55 120.40 129.89 2azm s VAL 1895Ca -0.01 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.60 2azm s VAL 1895Cb -0.20 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2azm s VAL 1895CO 0.03 0.49 -0.11 -0.22 0.00 0.00 0.00 175.10 175.30 2azm s LEU 1896N 0.46 3.01 0.00 3.92 2.96 -0.25 -0.96 118.68 127.82 2azm s LEU 1896Ca -0.05 -0.40 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 2azm s LEU 1896Cb -0.15 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2azm s LEU 1896CO 0.03 0.18 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.67 2azm s PHE 1897N -1.21 2.48 -0.00 5.38 0.40 -1.26 0.27 117.98 124.04 2azm s PHE 1897Ca 0.21 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 2azm s PHE 1897Cb -0.11 -1.50 -0.00 0.00 0.51 0.00 0.00 43.02 41.92 2azm s PHE 1897CO 0.13 0.13 -0.04 -0.08 0.70 0.00 0.00 175.22 176.05 2azm s THR 1898N -0.76 0.34 0.00 0.64 -1.32 -0.60 -4.89 115.64 109.05 2azm s THR 1898Ca 0.12 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2azm s THR 1898Cb -0.10 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 2azm s THR 1898CO 0.02 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 2azm n GLY 1899N 2.90 2.77 3.13 6.08 0.00 -1.26 -4.44 105.19 114.36 2azm n GLY 1899Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2azm n GLY 1899CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2azm s VAL 1900N -2.72 0.07 -0.18 1.61 0.11 -1.26 -4.96 120.40 113.06 2azm s VAL 1900Ca 0.00 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.45 2azm s VAL 1900Cb 0.00 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.40 2azm s VAL 1900CO 0.00 -0.32 -0.10 0.54 -3.33 0.00 0.00 175.10 171.88 2azm s VAL 1901N -1.22 2.97 -0.47 2.04 0.11 -1.26 -4.94 120.40 117.63 2azm s VAL 1901Ca -0.13 -0.65 0.03 0.00 -2.93 0.00 0.00 61.98 58.30 2azm s VAL 1901Cb -0.07 -2.30 0.15 0.00 -1.53 0.00 0.00 36.38 32.63 2azm s VAL 1901CO 0.02 0.48 0.30 -0.62 -3.33 0.00 0.00 175.10 171.95 2azm s ASP 1902N 1.11 3.36 0.28 3.54 2.15 -1.26 -5.00 116.67 120.85 2azm s ASP 1902Ca 0.01 -2.90 -0.03 0.00 0.43 0.00 0.00 52.55 50.06 2azm s ASP 1902Cb -0.14 -0.97 0.38 0.00 -0.30 0.00 0.00 42.92 41.89 2azm s ASP 1902CO -0.03 -0.22 1.94 0.00 -0.17 0.00 0.00 175.17 176.70 2azm h ALA 1903N 6.30 1.35 -0.72 3.66 0.00 -1.99 -0.33 119.26 127.53 2azm h ALA 1903Ca 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2azm h ALA 1903Cb 0.90 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2azm h ALA 1903CO 0.49 0.58 0.18 -0.09 0.00 0.00 0.00 179.25 180.41 2azm h ARG 1904N 1.16 1.14 -0.55 0.00 2.43 -1.99 -1.27 114.38 115.32 2azm h ARG 1904Ca 0.31 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2azm h ARG 1904Cb -0.10 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 2azm h ARG 1904CO -0.06 1.00 0.35 0.78 -1.51 0.00 0.00 179.97 180.52 2azm h GLY 1905N 1.09 0.78 0.82 2.80 0.00 -1.74 0.42 103.07 107.25 2azm h GLY 1905Ca 0.23 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2azm h GLY 1905CO 0.00 0.30 0.18 0.83 0.00 0.00 0.00 176.54 177.85 2azm h GLU 1906N 0.74 0.36 -0.71 4.80 5.08 -0.89 -1.35 114.58 122.61 2azm h GLU 1906Ca 0.20 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2azm h GLU 1906Cb -0.05 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2azm h GLU 1906CO -0.04 0.24 0.30 0.00 -1.00 0.00 0.00 179.01 178.50 2azm h ARG 1907N 0.37 1.03 -0.77 2.33 3.08 -0.98 -2.81 114.38 116.63 2azm h ARG 1907Ca 0.15 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2azm h ARG 1907Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2azm h ARG 1907CO -0.11 0.83 0.36 0.00 -1.07 0.00 0.00 179.97 179.98 2azm h ALA 1908N 1.31 0.99 -0.29 0.04 0.00 -0.44 -0.94 119.26 119.92 2azm h ALA 1908Ca 0.24 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2azm h ALA 1908Cb 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 2azm h ALA 1908CO -0.02 0.57 -0.29 0.28 0.00 0.00 0.00 179.25 179.78 2azm h VAL 1909N 1.09 0.30 -0.36 0.00 2.07 -1.01 -2.21 116.25 116.12 2azm h VAL 1909Ca 0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 2azm h VAL 1909Cb 0.14 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2azm h VAL 1909CO -0.03 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.45 2azm h LEU 1910N -0.28 0.67 -1.86 2.57 3.38 -1.32 -1.17 115.31 117.29 2azm h LEU 1910Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2azm h LEU 1910Cb 0.51 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2azm h LEU 1910CO -0.45 0.84 -0.03 0.00 0.09 0.00 0.00 178.44 178.89 2azm h ALA 1911N 0.85 1.89 -0.00 1.53 0.00 -1.11 -1.48 119.26 120.94 2azm h ALA 1911Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2azm h ALA 1911Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2azm h ALA 1911CO 0.03 0.08 -0.25 1.28 0.00 0.00 0.00 179.25 180.39 2azm n LEU 1912N -4.47 0.40 0.00 0.00 4.32 -0.84 -4.92 117.00 111.48 2azm n LEU 1912Ca -0.02 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 2azm n LEU 1912Cb 0.13 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 2azm n LEU 1912CO 0.35 0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 2azm n GLY 1913N 1.43 0.52 2.91 -0.72 0.00 -0.56 -4.89 105.19 103.88 2azm n GLY 1913Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2azm n GLY 1913CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2azm n GLY 1914N -1.89 -0.38 3.20 -0.02 0.00 -0.47 -4.78 105.19 100.86 2azm n GLY 1914Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 2azm n GLY 1914CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2azm s SER 1915N -4.36 1.65 -0.37 1.61 1.04 0.51 -4.17 113.70 109.61 2azm s SER 1915Ca 0.53 -0.83 -0.25 0.00 0.48 0.00 0.00 55.95 55.88 2azm s SER 1915Cb -0.02 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.10 2azm s SER 1915CO 0.36 -0.24 0.90 -0.76 0.98 0.00 0.00 173.24 174.49 2azm s LEU 1916N -2.53 4.02 0.51 2.42 1.43 -1.26 -0.22 118.68 123.05 2azm s LEU 1916Ca 0.08 0.54 -0.22 0.00 -1.03 0.00 0.00 54.13 53.49 2azm s LEU 1916Cb -0.03 -3.22 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 2azm s LEU 1916CO 0.01 -0.83 1.27 0.00 0.23 0.00 0.00 176.35 177.02 2azm s ALA 1917N 3.41 2.89 -0.00 4.21 0.00 -0.14 -4.80 121.76 127.32 2azm s ALA 1917Ca 0.37 1.15 0.08 0.00 0.00 0.00 0.00 51.96 53.57 2azm s ALA 1917Cb -0.12 -3.48 -0.23 0.00 0.00 0.00 0.00 23.12 19.28 2azm s ALA 1917CO 0.18 -1.05 0.81 0.78 0.00 0.00 0.00 175.76 176.48 2azm h GLY 1918N 1.72 0.05 -2.31 0.00 0.00 -1.94 -3.44 103.07 97.14 2azm h GLY 1918Ca -0.50 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 2azm h GLY 1918CO 0.59 0.11 -0.24 -1.35 0.00 0.00 0.00 176.54 175.64 2azm s SER 1919N -6.38 -0.01 0.36 0.19 1.04 -1.26 -5.05 113.70 102.58 2azm s SER 1919Ca -0.05 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 55.40 2azm s SER 1919Cb 0.08 0.54 0.69 0.00 0.10 0.00 0.00 66.02 67.43 2azm s SER 1919CO 0.82 -1.07 1.89 0.00 0.98 0.00 0.00 173.24 175.86 2azm h ALA 1920N 2.34 1.43 0.00 5.32 0.00 -1.94 -2.33 119.26 124.08 2azm h ALA 1920Ca -0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2azm h ALA 1920Cb 1.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2azm h ALA 1920CO 0.40 0.40 -0.23 0.00 0.00 0.00 0.00 179.25 179.82 2azm h ALA 1921N 1.57 1.44 0.00 0.00 0.00 -1.97 -2.93 119.26 117.37 2azm h ALA 1921Ca 0.08 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 2azm h ALA 1921Cb 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2azm h ALA 1921CO 0.02 0.29 -1.50 0.93 0.00 0.00 0.00 179.25 178.98 2azm h GLU 1922N 0.00 0.00 -6.91 0.00 5.08 -1.89 -3.48 114.58 107.38 2azm h GLU 1922Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.80 2azm h GLU 1922Cb 0.45 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.83 2azm h GLU 1922CO 0.03 0.56 0.62 0.00 -1.00 0.00 0.00 179.01 179.21 2azm n ALA 1923N -2.49 1.75 -0.02 3.43 0.00 -0.91 -4.86 120.51 117.41 2azm n ALA 1923Ca -0.12 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.65 2azm n ALA 1923Cb 0.99 -2.34 -0.16 0.00 0.00 0.00 0.00 19.45 17.94 2azm n ALA 1923CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2azm n SER 1924N 0.06 0.06 -3.81 0.00 3.41 0.29 -4.98 113.62 108.65 2azm n SER 1924Ca 0.05 0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 2azm n SER 1924Cb 0.40 1.70 -0.12 0.00 -0.26 0.00 0.00 64.21 65.94 2azm n SER 1924CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2azm s HIS 1925N -3.31 -0.19 -0.14 7.33 3.76 -1.06 -4.17 115.29 117.50 2azm s HIS 1925Ca -0.08 0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 2azm s HIS 1925Cb 0.12 0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.86 2azm s HIS 1925CO 0.89 -0.13 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.37 2azm s LEU 1926N -0.09 2.87 -0.17 0.89 2.96 -0.19 -1.09 118.68 123.86 2azm s LEU 1926Ca -0.02 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2azm s LEU 1926Cb -0.02 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 2azm s LEU 1926CO 0.01 0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.43 2azm s VAL 1927N 0.40 3.40 0.28 1.68 1.01 0.14 -0.28 120.40 127.03 2azm s VAL 1927Ca -0.08 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2azm s VAL 1927Cb -0.15 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 2azm s VAL 1927CO 0.04 0.48 0.48 0.28 0.00 0.00 0.00 175.10 176.38 2azm s THR 1928N 0.71 0.00 -0.14 3.92 -1.32 -0.32 -1.56 115.64 116.93 2azm s THR 1928Ca -0.04 -1.47 0.18 0.00 -1.21 0.00 0.00 61.69 59.15 2azm s THR 1928Cb -0.15 -2.40 -0.25 0.00 -1.51 0.00 0.00 72.50 68.19 2azm s THR 1928CO 0.02 0.00 0.30 -0.90 -2.21 0.00 0.00 174.62 171.83 2azm n ASP 1929N -0.74 0.19 -4.04 8.08 3.85 -1.26 -3.45 116.55 119.17 2azm n ASP 1929Ca -0.01 0.09 -0.11 0.00 -0.71 0.00 0.00 54.79 54.05 2azm n ASP 1929Cb 0.62 0.99 -0.08 0.00 -1.35 0.00 0.00 41.12 41.30 2azm n ASP 1929CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2azm s ARG 1930N -2.76 1.39 -0.14 0.11 0.52 -1.26 -4.94 118.95 111.88 2azm s ARG 1930Ca -0.08 -1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 53.34 2azm s ARG 1930Cb 0.08 0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.89 2azm s ARG 1930CO 0.84 -0.52 1.23 0.42 0.02 0.00 0.00 175.30 177.30 2azm s ILE 1931N -4.02 4.30 0.01 1.52 1.01 -1.26 -5.01 121.20 117.75 2azm s ILE 1931Ca 0.32 1.59 0.02 0.00 0.00 0.00 0.00 60.65 62.58 2azm s ILE 1931Cb 0.03 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2azm s ILE 1931CO 0.12 -0.11 -0.06 -0.13 0.00 0.00 0.00 174.94 174.76 2azm s ARG 1932N 3.18 0.49 -1.41 2.79 0.52 -1.26 -4.95 118.95 118.30 2azm s ARG 1932Ca 0.54 -0.37 -0.08 0.00 -0.52 0.00 0.00 55.73 55.30 2azm s ARG 1932Cb -0.22 -0.41 0.07 0.00 0.52 0.00 0.00 34.95 34.91 2azm s ARG 1932CO 0.16 0.10 2.42 0.54 0.02 0.00 0.00 175.30 178.54 2azm n ARG 1933N 2.51 4.01 -2.29 3.54 1.74 -1.26 -4.73 116.66 120.17 2azm n ARG 1933Ca -0.16 -3.07 -0.25 0.00 -0.77 0.00 0.00 57.85 53.61 2azm n ARG 1933Cb 0.57 -2.80 0.06 0.00 -1.02 0.00 0.00 32.46 29.27 2azm n ARG 1933CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2azm s THR 1934N 0.43 2.38 0.16 0.55 -4.23 -1.26 -4.97 115.64 108.70 2azm s THR 1934Ca 0.55 -0.34 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 2azm s THR 1934Cb 0.16 -3.01 0.04 0.00 1.34 0.00 0.00 72.50 71.03 2azm s THR 1934CO -0.07 -0.01 1.64 0.58 -0.54 0.00 0.00 174.62 176.22 2azm h VAL 1935N -0.46 1.25 -0.71 2.29 2.07 -1.96 -2.60 116.25 116.14 2azm h VAL 1935Ca -0.44 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2azm h VAL 1935Cb 1.31 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2azm h VAL 1935CO 0.59 0.35 0.46 0.11 0.02 0.00 0.00 177.57 179.09 2azm h LYS 1936N 0.77 0.94 -0.20 1.57 1.57 -1.96 -1.03 116.57 118.22 2azm h LYS 1936Ca 0.16 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2azm h LYS 1936Cb 0.42 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2azm h LYS 1936CO 0.01 0.64 0.11 0.35 -0.57 0.00 0.00 179.45 179.99 2azm h PHE 1937N 0.96 0.28 -0.33 -1.35 3.57 -1.83 0.21 116.94 118.46 2azm h PHE 1937Ca 0.26 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 2azm h PHE 1937Cb -0.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2azm h PHE 1937CO -0.02 0.26 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.99 2azm h LEU 1938N 0.22 0.68 -0.37 0.59 3.38 -1.37 0.66 115.31 119.11 2azm h LEU 1938Ca 0.07 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2azm h LEU 1938Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2azm h LEU 1938CO -0.01 0.92 -0.06 0.00 0.09 0.00 0.00 178.44 179.38 2azm h ALA 1940N 0.84 0.79 -0.16 0.00 0.00 -0.41 -1.34 119.26 118.98 2azm h ALA 1940Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2azm h ALA 1940Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2azm h ALA 1940CO 0.03 0.55 0.01 1.25 0.00 0.00 0.00 179.25 181.09 2azm h LEU 1941N 0.89 0.26 -1.28 0.00 6.46 -0.75 -1.17 115.31 119.73 2azm h LEU 1941Ca 0.18 -0.29 0.13 0.00 -0.12 0.00 0.00 57.88 57.77 2azm h LEU 1941Cb 0.43 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 2azm h LEU 1941CO 0.01 0.49 0.57 1.23 -0.62 0.00 0.00 178.44 180.12 2azm h GLY 1942N 0.03 1.19 1.91 3.75 0.00 -0.77 -0.71 103.07 108.47 2azm h GLY 1942Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2azm h GLY 1942CO 0.01 0.12 -0.06 0.54 0.00 0.00 0.00 176.54 177.15 2azm n ARG 1943N -4.55 0.22 -1.26 4.80 1.74 -0.51 -4.45 116.66 112.65 2azm n ARG 1943Ca 0.16 0.17 -0.05 0.00 -0.77 0.00 0.00 57.85 57.36 2azm n ARG 1943Cb 0.42 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 2azm n ARG 1943CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2azm n GLY 1944N 1.35 0.68 3.81 -0.13 0.00 -0.28 -4.89 105.19 105.73 2azm n GLY 1944Ca 0.06 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 2azm n GLY 1944CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2azm s ILE 1945N -2.19 4.23 0.32 -0.61 -4.36 -0.93 -4.85 121.20 112.81 2azm s ILE 1945Ca 0.00 1.37 -0.29 0.00 -0.26 0.00 0.00 60.65 61.47 2azm s ILE 1945Cb 0.00 -3.56 -0.12 0.00 1.25 0.00 0.00 42.46 40.03 2azm s ILE 1945CO 0.00 -0.32 1.48 -2.65 0.24 0.00 0.00 174.94 173.69 2azm n PRO 1946N -0.78 2.48 -3.83 0.37 -0.02 -1.26 -4.73 135.00 127.24 2azm n PRO 1946Ca 0.08 0.88 -0.36 0.00 -2.02 0.00 0.00 63.50 62.07 2azm n PRO 1946Cb 0.54 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.30 2azm n PRO 1946CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2azm s ILE 1947N -0.56 3.53 0.13 4.25 1.01 -1.26 -1.02 121.20 127.28 2azm s ILE 1947Ca 0.60 -0.96 0.10 0.00 0.00 0.00 0.00 60.65 60.38 2azm s ILE 1947Cb -0.53 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 2azm s ILE 1947CO 0.56 0.03 -0.23 -0.76 0.00 0.00 0.00 174.94 174.54 2azm s LEU 1948N 1.40 2.34 1.10 2.97 1.43 0.62 -1.91 118.68 126.64 2azm s LEU 1948Ca 0.00 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 2azm s LEU 1948Cb -0.18 -1.02 0.24 0.00 0.03 0.00 0.00 46.19 45.27 2azm s LEU 1948CO 0.00 0.09 1.17 -0.94 0.23 0.00 0.00 176.35 176.90 2azm s SER 1949N -2.16 1.82 0.48 2.29 1.04 0.12 -1.18 113.70 116.11 2azm s SER 1949Ca 0.12 0.60 0.26 0.00 0.48 0.00 0.00 55.95 57.41 2azm s SER 1949Cb -0.09 -0.85 1.16 0.00 0.10 0.00 0.00 66.02 66.33 2azm s SER 1949CO 0.06 -3.56 1.93 -0.07 0.98 0.00 0.00 173.24 172.58 2azm h LEU 1950N -2.20 0.00 -1.41 2.42 3.38 -1.89 -3.17 115.31 112.45 2azm h LEU 1950Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 2azm h LEU 1950Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2azm h LEU 1950CO 0.39 0.18 -0.09 0.44 0.09 0.00 0.00 178.44 179.46 2azm h ASP 1951N 0.00 0.26 -0.30 -0.43 3.32 -1.92 -3.24 116.42 114.11 2azm h ASP 1951Ca -0.00 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.07 2azm h ASP 1951Cb 0.57 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 2azm h ASP 1951CO 0.02 0.39 -0.17 -0.25 -1.72 0.00 0.00 179.24 177.51 2azm h TRP 1952N 0.27 -0.44 -0.06 4.55 7.01 -1.86 -0.83 115.95 124.59 2azm h TRP 1952Ca 0.06 0.04 -0.10 0.00 2.11 0.00 0.00 58.89 60.99 2azm h TRP 1952Cb 0.33 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 2azm h TRP 1952CO 0.01 -0.25 -0.42 -0.07 -2.79 0.00 0.00 178.44 174.91 2azm h LEU 1953N -0.14 0.14 0.07 0.65 3.38 -1.79 -1.80 115.31 115.81 2azm h LEU 1953Ca 0.16 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.77 2azm h LEU 1953Cb 0.38 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2azm h LEU 1953CO -0.39 0.55 -1.60 0.45 0.09 0.00 0.00 178.44 177.54 2azm h HIS 1954N 0.11 0.25 -0.27 1.13 3.86 -1.53 -1.23 115.15 117.47 2azm h HIS 1954Ca 0.01 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 58.93 2azm h HIS 1954Cb 0.80 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 2azm h HIS 1954CO 0.01 1.27 -0.29 1.96 0.86 0.00 0.00 177.93 181.74 2azm h GLN 1955N 0.04 0.55 -0.38 2.45 1.08 -1.26 -2.56 115.11 115.03 2azm h GLN 1955Ca -0.26 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 56.67 2azm h GLN 1955Cb 1.99 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 29.38 2azm h GLN 1955CO 0.12 0.78 0.07 0.77 -0.95 0.00 0.00 178.83 179.62 2azm h SER 1956N 0.48 0.60 -0.14 1.46 0.02 -1.29 -0.53 113.55 114.15 2azm h SER 1956Ca 0.06 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.69 2azm h SER 1956Cb 0.74 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2azm h SER 1956CO 0.06 0.70 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.23 2azm h ARG 1957N 0.47 0.50 -0.22 3.45 2.43 -1.24 0.10 114.38 119.87 2azm h ARG 1957Ca 0.12 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2azm h ARG 1957Cb 0.35 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2azm h ARG 1957CO 0.01 0.62 0.11 0.87 -1.51 0.00 0.00 179.97 180.07 2azm h LYS 1958N 0.47 0.22 0.00 0.20 1.57 -1.20 -2.98 116.57 114.85 2azm h LYS 1958Ca 0.09 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2azm h LYS 1958Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2azm h LYS 1958CO 0.03 0.15 -0.20 0.00 -0.57 0.00 0.00 179.45 178.86 2azm h ALA 1959N 1.12 1.03 -0.01 3.86 0.00 -0.77 -3.47 119.26 121.01 2azm h ALA 1959Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2azm h ALA 1959Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2azm h ALA 1959CO -0.07 0.25 -0.00 0.41 0.00 0.00 0.00 179.25 179.83 2azm n GLY 1960N 0.11 0.41 3.64 0.00 0.00 0.31 -5.03 105.19 104.62 2azm n GLY 1960Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 2azm n GLY 1960CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2azm s PHE 1961N -2.01 -0.33 -0.19 1.61 -0.12 -0.93 -5.02 117.98 110.98 2azm s PHE 1961Ca 0.00 0.03 -0.29 0.00 -0.05 0.00 0.00 56.93 56.62 2azm s PHE 1961Cb 0.00 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 2azm s PHE 1961CO 0.00 -0.95 1.26 -0.06 -0.05 0.00 0.00 175.22 175.42 2azm s PHE 1962N -3.66 2.84 0.86 3.49 0.40 -1.26 -4.51 117.98 116.14 2azm s PHE 1962Ca 0.07 1.01 -0.12 0.00 -0.60 0.00 0.00 56.93 57.29 2azm s PHE 1962Cb -0.03 -3.57 0.11 0.00 0.51 0.00 0.00 43.02 40.04 2azm s PHE 1962CO -0.03 -1.64 1.10 -0.51 0.70 0.00 0.00 175.22 174.84 2azm s LEU 1963N 3.65 2.36 0.07 -0.37 1.43 -1.26 -4.96 118.68 119.61 2azm s LEU 1963Ca 0.54 1.38 -0.31 0.00 -1.03 0.00 0.00 54.13 54.72 2azm s LEU 1963Cb -0.20 -3.86 -0.09 0.00 0.03 0.00 0.00 46.19 42.07 2azm s LEU 1963CO 0.16 -2.39 1.72 -2.84 0.23 0.00 0.00 176.35 173.23 2azm s PRO 1964N -5.04 4.18 0.30 1.29 0.02 -1.26 -4.89 135.00 129.60 2azm s PRO 1964Ca 0.62 2.41 0.07 0.00 0.02 0.00 0.00 61.00 64.12 2azm s PRO 1964Cb -0.16 -3.66 0.79 0.00 0.02 0.00 0.00 34.50 31.49 2azm s PRO 1964CO 0.56 -0.78 1.73 -1.35 -0.33 0.00 0.00 177.00 176.82 2azm h PRO 1965N 8.61 0.55 -0.15 5.54 0.11 -1.98 -2.05 132.00 142.63 2azm h PRO 1965Ca -0.44 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.68 2azm h PRO 1965Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2azm h PRO 1965CO 0.94 0.36 0.20 0.38 -0.21 0.00 0.00 178.00 179.67 2azm h ASP 1966N 0.57 0.00 0.66 -2.05 3.04 -2.00 0.11 116.42 116.75 2azm h ASP 1966Ca 0.60 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.39 2azm h ASP 1966Cb 1.09 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2azm h ASP 1966CO -0.47 0.00 -0.08 -0.62 -2.04 0.00 0.00 179.24 176.04 2azm n GLU 1967N -3.65 0.30 -1.01 4.15 1.02 -0.77 -4.10 120.64 116.58 2azm n GLU 1967Ca 0.01 -0.05 0.04 0.00 -0.02 0.00 0.00 57.16 57.13 2azm n GLU 1967Cb 0.31 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2azm n GLU 1967CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2azm n TYR 1968N -1.30 0.00 -2.07 -0.32 4.02 0.39 -5.04 117.16 112.84 2azm n TYR 1968Ca 0.11 -0.54 -0.41 0.00 -0.01 0.00 0.00 57.90 57.05 2azm n TYR 1968Cb 0.29 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.46 2azm n TYR 1968CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2azm s VAL 1969N -0.64 2.61 0.06 -0.72 -7.23 -1.18 0.16 120.40 113.46 2azm s VAL 1969Ca 0.25 0.61 -0.34 0.00 -1.81 0.00 0.00 61.98 60.70 2azm s VAL 1969Cb 0.28 -3.39 -0.13 0.00 0.56 0.00 0.00 36.38 33.70 2azm s VAL 1969CO -0.10 0.14 1.72 0.52 -0.31 0.00 0.00 175.10 177.08 2azm n VAL 1970N 0.72 0.25 -4.03 1.32 0.31 -0.80 -4.63 118.33 111.47 2azm n VAL 1970Ca 0.00 -0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 2azm n VAL 1970Cb 0.41 -1.72 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 2azm n VAL 1970CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2azm s THR 1971N 2.27 2.38 -0.47 2.52 -4.23 -1.26 -4.94 115.64 111.91 2azm s THR 1971Ca 0.84 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 2azm s THR 1971Cb -0.66 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 70.96 2azm s THR 1971CO 0.43 -0.04 0.37 -0.67 -0.54 0.00 0.00 174.62 174.17 2azm n ASP 1972N 4.48 0.20 -0.12 3.99 -0.08 -1.26 -4.99 116.55 118.77 2azm n ASP 1972Ca -0.14 -2.54 0.01 0.00 -1.51 0.00 0.00 54.79 50.62 2azm n ASP 1972Cb 0.42 -0.59 0.30 0.00 2.34 0.00 0.00 41.12 43.60 2azm n ASP 1972CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2azm h PRO 1973N 5.57 0.78 -0.23 -0.67 0.13 -1.97 -1.31 132.00 134.30 2azm h PRO 1973Ca 0.25 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.35 2azm h PRO 1973Cb 0.88 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 2azm h PRO 1973CO 0.44 0.56 0.02 1.49 -0.23 0.00 0.00 178.00 180.27 2azm h GLU 1974N 0.80 0.09 0.00 0.86 4.81 -1.99 0.23 114.58 119.39 2azm h GLU 1974Ca 0.21 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2azm h GLU 1974Cb -0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2azm h GLU 1974CO -0.04 0.06 -0.42 1.96 -0.73 0.00 0.00 179.01 179.84 2azm h GLN 1975N 0.10 0.00 -0.01 1.92 1.08 -1.86 -0.89 115.11 115.45 2azm h GLN 1975Ca 0.11 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 2azm h GLN 1975Cb 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2azm h GLN 1975CO -0.17 0.42 -0.57 0.93 -0.95 0.00 0.00 178.83 178.49 2azm h GLU 1976N 0.00 0.03 0.06 1.46 5.08 -0.79 -1.67 114.58 118.76 2azm h GLU 1976Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2azm h GLU 1976Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2azm h GLU 1976CO 0.05 0.59 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.40 2azm h LYS 1977N 0.02 -0.08 -0.46 2.33 3.64 -0.35 -1.52 116.57 120.16 2azm h LYS 1977Ca -0.01 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2azm h LYS 1977Cb 1.01 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.75 2azm h LYS 1977CO 0.08 0.47 -0.41 -0.97 -2.27 0.00 0.00 179.45 176.35 2azm h ASN 1978N -0.72 -1.36 0.36 4.20 -0.00 -1.10 -2.60 115.58 114.36 2azm h ASN 1978Ca -0.01 0.22 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 2azm h ASN 1978Cb 0.59 0.61 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2azm h ASN 1978CO 0.01 -0.35 -0.40 0.49 -0.00 0.00 0.00 177.43 177.18 2azm n PHE 1979N -5.42 0.00 -3.08 0.67 3.01 -0.64 -4.99 117.46 107.02 2azm n PHE 1979Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.33 2azm n PHE 1979Cb 0.35 -0.18 0.06 0.00 -0.01 0.00 0.00 39.48 39.70 2azm n PHE 1979CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2azm n GLY 1980N 1.42 -0.94 3.41 1.37 0.00 -0.71 -5.04 105.19 104.71 2azm n GLY 1980Ca 0.09 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 2azm n GLY 1980CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2azm s PHE 1981N -3.35 -0.49 -0.22 1.61 -0.12 -0.66 -5.04 117.98 109.70 2azm s PHE 1981Ca 0.40 0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 57.54 2azm s PHE 1981Cb -0.05 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 2azm s PHE 1981CO 0.67 -0.81 0.00 0.45 -0.05 0.00 0.00 175.22 175.48 2azm s SER 1982N -2.65 4.69 0.22 1.98 0.15 -1.26 -4.56 113.70 112.27 2azm s SER 1982Ca 0.00 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.27 2azm s SER 1982Cb -0.01 -1.82 0.18 0.00 -1.71 0.00 0.00 66.02 62.67 2azm s SER 1982CO -0.11 -0.01 1.89 0.25 1.20 0.00 0.00 173.24 176.46 2azm h LEU 1983N 8.01 0.95 0.05 3.45 5.85 -1.94 0.96 115.31 132.63 2azm h LEU 1983Ca -0.39 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.32 2azm h LEU 1983Cb 1.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2azm h LEU 1983CO 0.60 0.69 -0.27 1.56 -0.34 0.00 0.00 178.44 180.68 2azm h GLN 1984N 1.11 -0.43 -0.86 1.25 4.20 -1.94 -1.04 115.11 117.40 2azm h GLN 1984Ca 0.30 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 2azm h GLN 1984Cb -0.12 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2azm h GLN 1984CO -0.06 -0.29 0.48 -0.44 -0.67 0.00 0.00 178.83 177.85 2azm h ASP 1985N -0.44 1.06 -0.64 1.46 3.32 -1.85 -0.12 116.42 119.21 2azm h ASP 1985Ca 0.05 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2azm h ASP 1985Cb 0.50 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2azm h ASP 1985CO -0.20 0.85 0.16 0.00 -1.72 0.00 0.00 179.24 178.33 2azm h ALA 1986N 1.26 0.84 -0.11 3.45 0.00 -0.75 -2.27 119.26 121.67 2azm h ALA 1986Ca 0.30 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2azm h ALA 1986Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2azm h ALA 1986CO -0.05 0.56 -0.46 -0.07 0.00 0.00 0.00 179.25 179.23 2azm h LEU 1987N 0.94 0.29 -1.23 0.00 3.38 -0.76 -2.23 115.31 115.71 2azm h LEU 1987Ca 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2azm h LEU 1987Cb 0.36 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2azm h LEU 1987CO 0.00 0.71 0.45 0.28 0.09 0.00 0.00 178.44 179.97 2azm h SER 1988N 0.22 0.85 -0.11 -0.43 0.02 -0.81 -1.67 113.55 111.63 2azm h SER 1988Ca 0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2azm h SER 1988Cb 0.90 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 2azm h SER 1988CO 0.07 0.65 -0.09 0.03 -1.14 0.00 0.00 176.83 176.35 2azm h ARG 1989N 0.99 0.25 0.00 3.45 3.08 -0.93 0.11 114.38 121.32 2azm h ARG 1989Ca 0.26 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2azm h ARG 1989Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2azm h ARG 1989CO -0.05 0.64 -0.05 0.00 -1.07 0.00 0.00 179.97 179.44 2azm h ALA 1990N 0.60 1.29 0.20 0.04 0.00 -1.34 0.36 119.26 120.41 2azm h ALA 1990Ca 0.02 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 2azm h ALA 1990Cb 0.59 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.40 2azm h ALA 1990CO 0.02 0.06 -1.38 0.00 0.00 0.00 0.00 179.25 177.95 2azm h ARG 1991N 0.00 0.45 0.12 0.00 3.08 -1.01 -3.33 114.38 113.69 2azm h ARG 1991Ca -0.00 -0.76 -0.01 0.00 0.07 0.00 0.00 59.98 59.29 2azm h ARG 1991Cb 0.17 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2azm h ARG 1991CO 0.01 1.36 -0.06 0.93 -1.07 0.00 0.00 179.97 181.14 2azm h GLU 1992N 0.13 -0.16 -2.85 0.04 5.08 0.31 -3.48 114.58 113.66 2azm h GLU 1992Ca -0.21 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2azm h GLU 1992Cb 2.08 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 31.23 2azm h GLU 1992CO 0.25 -0.01 0.13 -0.98 -1.00 0.00 0.00 179.01 177.40 2azm s ARG 1993N -5.72 1.16 0.09 2.33 1.70 0.12 -5.09 118.95 113.54 2azm s ARG 1993Ca -0.14 -0.33 -0.31 0.00 -0.47 0.00 0.00 55.73 54.48 2azm s ARG 1993Cb 0.05 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.87 2azm s ARG 1993CO 0.65 -0.46 1.61 1.03 -1.08 0.00 0.00 175.30 177.04 2azm s ARG 1994N -3.05 4.21 0.13 3.89 1.81 -1.26 -3.97 118.95 120.72 2azm s ARG 1994Ca -0.02 2.31 -0.15 0.00 -1.72 0.00 0.00 55.73 56.15 2azm s ARG 1994Cb -0.00 -3.47 -0.00 0.00 -0.45 0.00 0.00 34.95 31.03 2azm s ARG 1994CO -0.07 -0.68 1.62 1.25 -0.68 0.00 0.00 175.30 176.74 2azm h LEU 1995N 8.01 0.68 -3.62 2.53 5.85 -1.76 -3.17 115.31 123.82 2azm h LEU 1995Ca -0.42 -0.26 -0.31 0.00 0.84 0.00 0.00 57.88 57.73 2azm h LEU 1995Cb 1.20 -0.18 -0.19 0.00 0.37 0.00 0.00 40.66 41.86 2azm h LEU 1995CO 0.92 0.77 0.23 0.18 -0.34 0.00 0.00 178.44 180.20 2azm n LEU 1996N -4.49 5.26 -4.67 2.25 4.77 0.58 -4.83 117.00 115.86 2azm n LEU 1996Ca -0.00 -3.67 -0.46 0.00 -0.03 0.00 0.00 56.01 51.85 2azm n LEU 1996Cb 0.24 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 2azm n LEU 1996CO 0.39 1.14 1.29 1.21 -1.33 0.00 0.00 177.39 180.10 2azm n GLU 1997N -1.07 2.20 0.00 3.23 2.13 -1.20 -2.09 120.64 123.83 2azm n GLU 1997Ca 0.44 0.80 0.00 0.00 0.66 0.00 0.00 57.16 59.06 2azm n GLU 1997Cb 1.30 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 30.42 2azm n GLU 1997CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2azm n GLY 1998N 3.73 2.87 3.77 8.31 0.00 -1.26 -4.99 105.19 117.61 2azm n GLY 1998Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2azm n GLY 1998CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2azm s TYR 1999N -2.25 3.51 -0.13 1.61 1.51 -0.89 -4.78 117.35 115.94 2azm s TYR 1999Ca 0.00 1.71 0.01 0.00 -1.01 0.00 0.00 57.07 57.78 2azm s TYR 1999Cb 0.00 -3.17 0.02 0.00 -0.11 0.00 0.00 41.96 38.69 2azm s TYR 1999CO 0.00 -0.43 -0.17 -1.21 -1.11 0.00 0.00 175.55 172.63 2azm s GLU 2000N -1.85 2.48 -0.15 -0.62 2.02 0.21 -1.89 118.70 118.89 2azm s GLU 2000Ca 0.49 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.83 2azm s GLU 2000Cb -0.27 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 31.88 2azm s GLU 2000CO 0.34 -0.11 -0.04 0.42 0.02 0.00 0.00 175.26 175.89 2azm s ILE 2001N 1.10 0.98 0.06 -1.63 1.01 -0.70 -0.72 121.20 121.30 2azm s ILE 2001Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 2azm s ILE 2001Cb -0.14 -1.15 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 2azm s ILE 2001CO -0.05 0.16 0.41 -0.47 0.00 0.00 0.00 174.94 174.99 2azm s TYR 2002N 1.70 3.63 -0.14 3.97 5.04 -0.94 -0.89 117.35 129.72 2azm s TYR 2002Ca 0.02 0.86 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 2azm s TYR 2002Cb -0.15 -2.21 0.02 0.00 0.35 0.00 0.00 41.96 39.98 2azm s TYR 2002CO -0.08 0.55 -0.15 0.08 -1.34 0.00 0.00 175.55 174.62 2azm s VAL 2003N -1.31 1.55 0.43 3.14 1.01 -1.26 -1.04 120.40 122.92 2azm s VAL 2003Ca 0.31 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2azm s VAL 2003Cb -0.15 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 2azm s VAL 2003CO 0.17 0.45 1.29 -0.89 0.00 0.00 0.00 175.10 176.12 2azm s THR 2004N 1.32 2.61 0.51 3.92 2.01 -0.52 -4.82 115.64 120.68 2azm s THR 2004Ca 0.01 0.52 0.22 0.00 0.31 0.00 0.00 61.69 62.76 2azm s THR 2004Cb -0.13 -3.30 0.37 0.00 0.01 0.00 0.00 72.50 69.45 2azm s THR 2004CO -0.08 0.05 2.01 -0.65 -0.69 0.00 0.00 174.62 175.26 2azm h PRO 2005N 2.41 0.08 -0.63 4.92 0.11 -2.00 -2.41 132.00 134.49 2azm h PRO 2005Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2azm h PRO 2005Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2azm h PRO 2005CO 0.61 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2azm n GLY 2006N -1.61 1.95 3.77 -0.55 0.00 -1.26 -4.71 105.19 102.79 2azm n GLY 2006Ca 0.09 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 2azm n GLY 2006CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2azm s VAL 2007N -1.24 3.38 -0.12 1.61 1.01 -0.91 -4.95 120.40 119.18 2azm s VAL 2007Ca 0.42 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.52 2azm s VAL 2007Cb 0.22 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2azm s VAL 2007CO 0.27 0.06 -0.17 -1.10 0.00 0.00 0.00 175.10 174.17 2azm s GLN 2008N -2.40 3.26 0.74 2.72 -1.52 -1.26 -2.70 119.66 118.51 2azm s GLN 2008Ca 0.58 -0.75 -0.15 0.00 -1.95 0.00 0.00 55.36 53.09 2azm s GLN 2008Cb -0.27 -2.53 0.04 0.00 -0.22 0.00 0.00 33.01 30.03 2azm s GLN 2008CO 0.34 0.18 1.20 -1.25 -0.25 0.00 0.00 175.29 175.51 2azm s PRO 2009N 0.41 2.09 0.59 2.91 0.04 -1.26 -4.93 135.00 134.85 2azm s PRO 2009Ca -0.13 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.48 2azm s PRO 2009Cb -0.16 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2azm s PRO 2009CO 0.06 -1.87 0.73 -2.30 0.04 0.00 0.00 177.00 173.66 2azm n PRO 2010N -2.79 0.67 -0.31 0.56 -0.02 -1.10 -4.84 135.00 127.16 2azm n PRO 2010Ca 0.13 0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 2azm n PRO 2010Cb 0.50 -1.93 0.10 0.00 -0.02 0.00 0.00 33.50 32.16 2azm n PRO 2010CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2azm n PRO 2011N -0.56 -0.11 -0.25 0.52 -0.02 -1.26 -1.24 135.00 132.08 2azm n PRO 2011Ca 0.13 1.33 -0.06 0.00 -2.02 0.00 0.00 63.50 62.88 2azm n PRO 2011Cb 0.48 -1.99 0.05 0.00 -0.02 0.00 0.00 33.50 32.01 2azm n PRO 2011CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2azm h PRO 2012N 0.00 1.00 -1.35 0.52 0.13 -1.96 0.29 132.00 130.63 2azm h PRO 2012Ca 0.38 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2azm h PRO 2012Cb 0.60 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2azm h PRO 2012CO -0.88 0.79 0.00 1.04 -0.23 0.00 0.00 178.00 178.72 2azm n GLN 2013N -4.44 0.25 0.00 0.86 3.00 -0.37 -1.58 117.38 115.10 2azm n GLN 2013Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2azm n GLN 2013Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.06 2azm n GLN 2013CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2azm n GLY 2015N 0.74 0.00 0.18 1.08 0.00 0.10 -2.81 105.19 104.48 2azm n GLY 2015Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2azm n GLY 2015CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2azm h GLU 2016N 0.00 0.54 -0.79 1.61 5.08 -1.56 -0.81 114.58 118.66 2azm h GLU 2016Ca 0.00 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2azm h GLU 2016Cb 0.00 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 2azm h GLU 2016CO 0.00 0.65 0.49 0.82 -1.00 0.00 0.00 179.01 179.97 2azm h ILE 2017N 0.36 1.06 0.39 3.13 2.04 -1.82 -0.27 117.51 122.40 2azm h ILE 2017Ca 0.09 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2azm h ILE 2017Cb 0.39 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2azm h ILE 2017CO 0.01 0.17 -0.19 0.40 0.00 0.00 0.00 178.15 178.54 2azm h ILE 2018N 0.91 0.62 -0.90 -0.67 2.04 -1.81 -2.22 117.51 115.49 2azm h ILE 2018Ca 0.33 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 66.11 2azm h ILE 2018Cb 0.11 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2azm h ILE 2018CO -0.15 0.02 0.59 0.28 0.00 0.00 0.00 178.15 178.90 2azm h SER 2019N -0.58 1.01 0.46 1.72 0.02 -0.94 -1.22 113.55 114.03 2azm h SER 2019Ca -0.05 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 2azm h SER 2019Cb 0.43 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2azm h SER 2019CO 0.09 0.72 -0.10 0.00 -1.14 0.00 0.00 176.83 176.40 2azm n GLY 2022N 1.12 0.52 3.94 0.00 0.00 -0.76 -0.31 105.19 109.69 2azm n GLY 2022Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 2azm n GLY 2022CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2azm s GLY 2023N -2.00 1.71 -0.09 -0.02 0.00 -0.56 -3.92 107.32 102.44 2azm s GLY 2023Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2azm s GLY 2023CO 0.00 -0.57 -0.08 -1.08 0.00 0.00 0.00 173.10 171.37 2azm s THR 2024N -3.39 3.58 -0.20 0.90 -1.32 -0.79 -3.99 115.64 110.42 2azm s THR 2024Ca 0.64 -0.51 -0.16 0.00 -1.21 0.00 0.00 61.69 60.45 2azm s THR 2024Cb -0.09 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.39 2azm s THR 2024CO 0.47 0.57 0.42 -0.47 -2.21 0.00 0.00 174.62 173.40 2azm s TYR 2025N -0.47 3.37 -0.41 9.09 5.04 -1.26 -1.72 117.35 130.98 2azm s TYR 2025Ca 0.07 0.64 -0.16 0.00 -2.44 0.00 0.00 57.07 55.18 2azm s TYR 2025Cb -0.12 -2.55 0.02 0.00 0.35 0.00 0.00 41.96 39.66 2azm s TYR 2025CO 0.02 -0.03 0.34 -0.51 -1.34 0.00 0.00 175.55 174.03 2azm s LEU 2026N 1.38 5.04 0.03 6.97 1.02 -0.07 -4.92 118.68 128.14 2azm s LEU 2026Ca 0.20 -0.84 0.23 0.00 0.02 0.00 0.00 54.13 53.74 2azm s LEU 2026Cb -0.15 -2.22 0.96 0.00 0.02 0.00 0.00 46.19 44.80 2azm s LEU 2026CO 0.08 -0.48 1.73 -0.81 0.02 0.00 0.00 176.35 176.89 2azm n PRO 2027N 5.28 0.03 0.00 1.29 -0.04 -1.26 -4.10 135.00 136.19 2azm n PRO 2027Ca -0.10 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2azm n PRO 2027Cb 0.47 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2azm n PRO 2027CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2azm n SER 2028N -1.60 0.00 -4.37 3.54 7.64 -1.26 -4.99 113.62 112.58 2azm n SER 2028Ca 0.05 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 2azm n SER 2028Cb 0.28 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 2azm n SER 2028CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2azm s PRO 2030N 1.36 1.83 0.00 1.43 0.02 -1.26 -4.86 135.00 133.51 2azm s PRO 2030Ca 0.00 -1.10 0.03 0.00 0.02 0.00 0.00 61.00 59.95 2azm s PRO 2030Cb 0.00 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2azm s PRO 2030CO 0.00 0.51 0.16 0.54 -0.33 0.00 0.00 177.00 177.88 2azm n ARG 2031N 1.67 5.58 -4.23 5.54 5.12 -1.26 -4.87 116.66 124.21 2azm n ARG 2031Ca -0.17 -0.05 -0.20 0.00 -1.93 0.00 0.00 57.85 55.50 2azm n ARG 2031Cb 0.52 -0.67 -0.12 0.00 -1.16 0.00 0.00 32.46 31.03 2azm n ARG 2031CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2azm s SER 2032N -1.20 1.94 0.39 0.55 1.04 -1.26 -4.99 113.70 110.17 2azm s SER 2032Ca 0.01 -0.62 -0.25 0.00 0.48 0.00 0.00 55.95 55.58 2azm s SER 2032Cb 0.02 -0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 2azm s SER 2032CO 0.11 -0.02 1.07 -0.47 0.98 0.00 0.00 173.24 174.91 2azm s TYR 2033N -1.19 3.28 -0.18 5.02 5.04 -1.26 -5.03 117.35 123.03 2azm s TYR 2033Ca 0.01 1.64 -0.15 0.00 -2.44 0.00 0.00 57.07 56.12 2azm s TYR 2033Cb -0.10 -3.18 0.05 0.00 0.35 0.00 0.00 41.96 39.08 2azm s TYR 2033CO 0.03 -0.71 0.48 0.21 -1.34 0.00 0.00 175.55 174.21 2azm s LYS 2034N -2.34 0.54 0.43 4.97 2.20 -1.26 -5.09 119.74 119.18 2azm s LYS 2034Ca 0.56 0.70 -0.26 0.00 -0.36 0.00 0.00 55.97 56.62 2azm s LYS 2034Cb -0.24 0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 36.21 2azm s LYS 2034CO 0.31 -0.08 1.35 -0.35 -0.36 0.00 0.00 175.35 176.22 2azm n PRO 2035N 3.08 2.13 -1.14 4.03 -0.04 -1.26 -1.51 135.00 140.29 2azm n PRO 2035Ca -0.15 0.76 -0.05 0.00 -0.04 0.00 0.00 63.50 64.02 2azm n PRO 2035Cb 0.57 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 2azm n PRO 2035CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2azm n GLN 2036N -0.00 -1.14 -3.58 0.54 6.02 -1.26 -4.88 117.38 113.08 2azm n GLN 2036Ca 0.05 0.55 -0.37 0.00 -0.01 0.00 0.00 57.00 57.22 2azm n GLN 2036Cb 0.40 -4.54 -0.09 0.00 1.02 0.00 0.00 30.24 27.04 2azm n GLN 2036CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2azm s ARG 2037N -1.93 4.10 0.02 -1.09 3.52 -0.57 -0.62 118.95 122.38 2azm s ARG 2037Ca 0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 55.73 55.42 2azm s ARG 2037Cb 0.00 -3.54 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2azm s ARG 2037CO 0.00 0.03 0.08 0.54 -0.81 0.00 0.00 175.30 175.14 2azm s VAL 2038N 1.14 0.10 -0.11 7.11 0.11 0.10 -4.36 120.40 124.50 2azm s VAL 2038Ca 0.11 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 2azm s VAL 2038Cb -0.14 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2azm s VAL 2038CO 0.06 -0.48 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.47 2azm s VAL 2039N -1.75 1.76 -0.20 2.04 1.01 -0.07 -2.22 120.40 120.97 2azm s VAL 2039Ca -0.12 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 2azm s VAL 2039Cb -0.06 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2azm s VAL 2039CO -0.01 0.49 0.18 -0.63 0.00 0.00 0.00 175.10 175.14 2azm s ILE 2040N 0.72 5.37 0.28 2.22 1.01 -0.21 -0.19 121.20 130.41 2azm s ILE 2040Ca -0.11 0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.87 2azm s ILE 2040Cb -0.16 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2azm s ILE 2040CO 0.02 0.40 0.29 1.07 0.00 0.00 0.00 174.94 176.71 2azm n THR 2041N 3.74 0.00 -4.02 2.92 5.66 -0.36 -1.43 114.28 120.78 2azm n THR 2041Ca -0.15 -1.89 -0.09 0.00 -3.05 0.00 0.00 64.05 58.87 2azm n THR 2041Cb 0.52 1.00 -0.08 0.00 -1.55 0.00 0.00 70.33 70.21 2azm n THR 2041CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2azm h PRO 2043N 2.76 0.19 0.00 0.00 0.11 -1.96 0.27 132.00 133.36 2azm h PRO 2043Ca -0.33 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.68 2azm h PRO 2043Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2azm h PRO 2043CO 0.55 0.12 -0.41 -0.56 -0.21 0.00 0.00 178.00 177.50 2azm h GLN 2044N 0.19 0.00 0.00 1.05 3.07 -1.97 -3.18 115.11 114.27 2azm h GLN 2044Ca 0.73 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.47 2azm h GLN 2044Cb 1.73 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.29 2azm h GLN 2044CO -0.68 0.41 -1.50 -0.25 0.09 0.00 0.00 178.83 176.90 2azm n ASP 2045N -3.38 0.52 -0.21 0.06 8.00 -0.38 -4.64 116.55 116.52 2azm n ASP 2045Ca 0.01 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2azm n ASP 2045Cb 0.59 1.50 0.11 0.00 -0.02 0.00 0.00 41.12 43.31 2azm n ASP 2045CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2azm h PHE 2046N 0.00 0.40 0.00 1.24 3.57 -0.52 -1.59 116.94 120.04 2azm h PHE 2046Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2azm h PHE 2046Cb 0.74 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2azm h PHE 2046CO 0.00 0.10 0.23 -1.35 -2.23 0.00 0.00 178.31 175.05 2azm h PRO 2047N 0.41 0.00 -0.61 6.41 0.11 -1.82 -2.17 132.00 134.33 2azm h PRO 2047Ca 0.31 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.23 2azm h PRO 2047Cb 0.39 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.39 2azm h PRO 2047CO -0.31 0.00 0.19 0.72 -0.21 0.00 0.00 178.00 178.39 2azm n HIS 2048N -2.86 2.00 -1.33 0.65 8.25 -0.60 -4.62 115.22 116.71 2azm n HIS 2048Ca -0.02 -1.25 -0.10 0.00 -0.26 0.00 0.00 57.72 56.09 2azm n HIS 2048Cb 0.28 -0.61 0.20 0.00 1.12 0.00 0.00 29.99 30.99 2azm n HIS 2048CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2azm h SER 2050N 1.17 0.87 0.77 0.00 4.64 -1.84 -2.85 113.55 116.31 2azm h SER 2050Ca 0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 2azm h SER 2050Cb 2.09 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 64.00 2azm h SER 2050CO 0.64 0.58 -0.44 0.40 -0.87 0.00 0.00 176.83 177.14 2azm h ILE 2051N 1.02 0.12 -0.86 0.95 2.04 -2.00 0.16 117.51 118.94 2azm h ILE 2051Ca 0.35 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.31 2azm h ILE 2051Cb 0.07 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 2azm h ILE 2051CO -0.14 0.00 0.56 1.55 0.00 0.00 0.00 178.15 180.12 2azm h PRO 2052N -1.12 0.82 -0.36 2.37 0.13 -1.89 -0.58 132.00 131.38 2azm h PRO 2052Ca -0.10 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2azm h PRO 2052Cb 0.89 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2azm h PRO 2052CO 0.13 0.54 0.20 -0.07 -0.23 0.00 0.00 178.00 178.57 2azm h LEU 2053N 0.84 0.44 0.52 1.56 4.07 -1.29 0.16 115.31 121.61 2azm h LEU 2053Ca 0.40 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.26 2azm h LEU 2053Cb 0.41 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.05 2azm h LEU 2053CO -0.16 0.39 -0.25 -0.09 -1.08 0.00 0.00 178.44 177.24 2azm h ARG 2054N 0.46 -0.68 -0.82 1.13 9.65 -0.02 -3.04 114.38 121.07 2azm h ARG 2054Ca 0.13 0.05 0.19 0.00 -1.10 0.00 0.00 59.98 59.25 2azm h ARG 2054Cb 0.04 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 2azm h ARG 2054CO -0.02 -0.39 0.56 0.28 2.80 0.00 0.00 179.97 183.19 2azm h VAL 2055N -0.84 0.69 0.00 0.20 2.07 -1.17 -3.47 116.25 113.74 2azm h VAL 2055Ca -0.07 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2azm h VAL 2055Cb 0.59 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2azm h VAL 2055CO 0.12 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.37 2azm n GLY 2056N -1.56 1.27 3.71 2.17 0.00 -0.32 -4.57 105.19 105.89 2azm n GLY 2056Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2azm n GLY 2056CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2azm s LEU 2057N 0.00 4.35 0.09 0.99 1.02 0.42 -5.01 118.68 120.54 2azm s LEU 2057Ca 0.00 1.50 -0.35 0.00 0.02 0.00 0.00 54.13 55.30 2azm s LEU 2057Cb 0.00 -3.41 -0.15 0.00 0.02 0.00 0.00 46.19 42.66 2azm s LEU 2057CO 0.00 -0.21 1.54 -2.65 0.02 0.00 0.00 176.35 175.05 2azm n PRO 2058N 3.86 1.77 -3.62 1.29 -0.02 -1.26 -4.36 135.00 132.67 2azm n PRO 2058Ca 0.04 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 2azm n PRO 2058Cb 0.51 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 2azm n PRO 2058CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2azm s LEU 2059N 1.25 4.05 0.12 2.45 1.43 -1.26 -0.89 118.68 125.83 2azm s LEU 2059Ca 0.83 -0.23 0.11 0.00 -1.03 0.00 0.00 54.13 53.81 2azm s LEU 2059Cb -0.79 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2azm s LEU 2059CO 0.44 -0.12 -0.26 -0.76 0.23 0.00 0.00 176.35 175.88 2azm s LEU 2060N 1.70 2.30 0.56 1.79 1.43 0.73 -0.03 118.68 127.16 2azm s LEU 2060Ca 0.06 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.24 2azm s LEU 2060Cb -0.16 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2azm s LEU 2060CO 0.09 0.18 1.23 -0.55 0.23 0.00 0.00 176.35 177.53 2azm s SER 2061N -1.94 5.35 0.64 2.29 0.15 0.67 -1.22 113.70 119.65 2azm s SER 2061Ca 0.13 2.45 0.33 0.00 0.70 0.00 0.00 55.95 59.56 2azm s SER 2061Cb -0.10 -2.61 1.78 0.00 -1.71 0.00 0.00 66.02 63.39 2azm s SER 2061CO 0.05 -1.49 2.04 -0.65 1.20 0.00 0.00 173.24 174.40 2azm h PRO 2062N 1.18 0.00 0.00 5.44 0.11 -1.92 -0.95 132.00 135.86 2azm h PRO 2062Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2azm h PRO 2062Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2azm h PRO 2062CO 0.56 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.28 2azm h GLU 2063N 0.00 0.00 -0.95 1.05 4.39 -1.94 -0.74 114.58 116.39 2azm h GLU 2063Ca 0.04 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.91 2azm h GLU 2063Cb 0.55 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 2azm h GLU 2063CO -0.00 0.00 0.60 0.35 -1.16 0.00 0.00 179.01 178.81 2azm h PHE 2064N 0.00 0.88 0.00 4.33 3.57 -1.51 0.50 116.94 124.72 2azm h PHE 2064Ca -0.00 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.22 2azm h PHE 2064Cb 0.37 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 2azm h PHE 2064CO 0.00 0.25 -1.70 1.28 -2.23 0.00 0.00 178.31 175.92 2azm n LEU 2065N -4.63 1.89 -0.21 0.59 4.77 -0.71 -2.66 117.00 116.04 2azm n LEU 2065Ca 0.20 0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 56.58 2azm n LEU 2065Cb 0.56 -0.91 0.11 0.00 -2.33 0.00 0.00 43.42 40.85 2azm n LEU 2065CO 0.26 0.37 1.02 -0.07 -1.33 0.00 0.00 177.39 177.64 2azm h LEU 2066N -1.00 0.32 0.14 2.23 3.38 -1.11 0.35 115.31 119.63 2azm h LEU 2066Ca -0.47 0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.35 2azm h LEU 2066Cb 1.40 0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.19 2azm h LEU 2066CO -0.28 0.19 -1.04 0.74 0.09 0.00 0.00 178.44 178.14 2azm h THR 2067N 0.48 1.36 -0.21 0.22 2.02 -1.13 -3.34 112.91 112.31 2azm h THR 2067Ca 0.31 -2.52 -0.01 0.00 0.77 0.00 0.00 66.41 64.97 2azm h THR 2067Cb 0.35 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2azm h THR 2067CO -0.28 0.72 0.10 1.23 0.37 0.00 0.00 175.52 177.67 2azm h GLY 2068N -0.21 0.32 0.81 2.16 0.00 -1.24 -1.57 103.07 103.35 2azm h GLY 2068Ca -0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2azm h GLY 2068CO 0.14 0.15 0.01 -2.08 0.00 0.00 0.00 176.54 174.75 2azm h VAL 2069N 0.21 1.16 -0.83 4.60 2.07 -0.49 0.53 116.25 123.51 2azm h VAL 2069Ca 0.07 -0.48 0.15 0.00 0.82 0.00 0.00 66.70 67.26 2azm h VAL 2069Cb 0.11 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 2azm h VAL 2069CO -0.01 0.13 0.40 0.25 0.02 0.00 0.00 177.57 178.36 2azm h LEU 2070N -0.16 0.47 0.00 2.57 5.85 -1.67 -1.30 115.31 121.07 2azm h LEU 2070Ca 0.01 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2azm h LEU 2070Cb 0.20 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2azm h LEU 2070CO -0.00 0.19 -0.36 0.29 -0.34 0.00 0.00 178.44 178.22 2azm n LYS 2071N -4.90 0.00 -4.05 1.25 5.02 -0.59 -4.84 118.16 110.04 2azm n LYS 2071Ca 0.16 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 2azm n LYS 2071Cb 0.43 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 2azm n LYS 2071CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2azm n GLN 2072N -1.51 -1.80 -3.63 1.97 1.13 0.09 -4.66 117.38 108.97 2azm n GLN 2072Ca 0.06 0.26 -0.22 0.00 -1.94 0.00 0.00 57.00 55.16 2azm n GLN 2072Cb 0.34 -3.86 -0.17 0.00 0.11 0.00 0.00 30.24 26.66 2azm n GLN 2072CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2azm s GLU 2073N -6.88 0.02 -0.41 -1.09 2.02 -0.64 -4.94 118.70 106.79 2azm s GLU 2073Ca 0.14 0.19 -0.19 0.00 0.02 0.00 0.00 54.97 55.13 2azm s GLU 2073Cb -0.07 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.06 2azm s GLU 2073CO 0.93 -0.51 0.53 0.00 0.02 0.00 0.00 175.26 176.24 2azm s ALA 2074N 2.19 3.41 -0.50 5.21 0.00 -1.26 -4.46 121.76 126.35 2azm s ALA 2074Ca 0.04 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.78 2azm s ALA 2074Cb -0.14 -3.13 0.16 0.00 0.00 0.00 0.00 23.12 20.01 2azm s ALA 2074CO -0.07 -1.55 0.36 0.15 0.00 0.00 0.00 175.76 174.65 2azm s LYS 2075N 2.46 1.41 0.42 0.00 1.02 -1.26 -4.99 119.74 118.81 2azm s LYS 2075Ca 0.18 -2.42 0.09 0.00 0.02 0.00 0.00 55.97 53.84 2azm s LYS 2075Cb -0.15 -2.16 0.91 0.00 -0.52 0.00 0.00 37.83 35.91 2azm s LYS 2075CO 0.15 -1.31 2.04 -1.35 -0.92 0.00 0.00 175.35 173.97 2azm h PRO 2076N 5.83 0.37 0.00 -1.68 0.11 -1.95 -2.23 132.00 132.45 2azm h PRO 2076Ca 0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2azm h PRO 2076Cb 0.87 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2azm h PRO 2076CO 0.49 0.30 -0.01 0.93 -0.21 0.00 0.00 178.00 179.50 2azm h GLU 2077N 0.38 0.00 -0.01 1.05 3.07 -2.01 -2.72 114.58 114.34 2azm h GLU 2077Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2azm h GLU 2077Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2azm h GLU 2077CO -0.01 0.01 -0.25 0.00 -1.40 0.00 0.00 179.01 177.36 2azm n ALA 2078N -2.41 3.06 -1.53 3.43 0.00 -0.84 -4.13 120.51 118.09 2azm n ALA 2078Ca -0.03 -0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.01 2azm n ALA 2078Cb 0.10 -1.07 0.10 0.00 0.00 0.00 0.00 19.45 18.58 2azm n ALA 2078CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2azm n PHE 2079N -0.35 0.00 -1.91 0.00 3.01 -1.03 -5.04 117.46 112.15 2azm n PHE 2079Ca 0.13 -0.75 -0.42 0.00 1.01 0.00 0.00 57.45 57.42 2azm n PHE 2079Cb 0.38 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 2azm n PHE 2079CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2azm s VAL 2080N -1.88 2.67 0.02 -4.37 1.01 -1.22 -0.24 120.40 116.39 2azm s VAL 2080Ca 0.24 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 2azm s VAL 2080Cb 0.22 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2azm s VAL 2080CO -0.01 0.02 0.62 -0.76 0.00 0.00 0.00 175.10 174.97 2azm s LEU 2081N 1.53 4.44 0.30 3.92 1.43 0.96 -4.81 118.68 126.44 2azm s LEU 2081Ca 0.72 1.23 0.07 0.00 -1.03 0.00 0.00 54.13 55.12 2azm s LEU 2081Cb -0.43 -2.97 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 2azm s LEU 2081CO 0.32 0.11 -0.07 -0.94 0.23 0.00 0.00 176.35 176.00 2azm s SER 2082N -0.31 3.05 0.36 2.29 1.04 -1.26 -4.90 113.70 113.97 2azm s SER 2082Ca 0.32 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.27 2azm s SER 2082Cb -0.19 -0.22 -0.12 0.00 0.10 0.00 0.00 66.02 65.59 2azm s SER 2082CO 0.18 -0.31 1.38 -2.65 0.98 0.00 0.00 173.24 172.83 2azm n PRO 2083N -0.65 2.38 -1.63 4.02 -0.02 -1.26 -4.87 135.00 132.97 2azm n PRO 2083Ca -0.05 0.84 -0.56 0.00 -2.02 0.00 0.00 63.50 61.70 2azm n PRO 2083Cb 0.64 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 2azm n PRO 2083CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2azm n LEU 2084N 0.63 1.59 -0.60 2.45 4.77 -1.26 -5.23 117.00 119.36 2azm n LEU 2084Ca 0.03 1.12 0.14 0.00 -0.03 0.00 0.00 56.01 57.26 2azm n LEU 2084Cb 0.37 -1.11 0.42 0.00 -2.33 0.00 0.00 43.42 40.78 2azm n LEU 2084CO 0.63 -0.96 0.81 -0.62 -1.33 0.00 0.00 177.39 175.92