#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 3.56 0.55 6.98 0.00 -1.26 -4.95 121.76 126.63 2azm s ALA 1892Ca 0.00 1.41 -0.21 0.00 0.00 0.00 0.00 51.96 53.16 2azm s ALA 1892Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2azm s ALA 1892CO 0.00 -0.84 1.24 -2.30 0.00 0.00 0.00 175.76 173.86 2azm n PRO 1893N 0.92 1.48 -3.99 0.00 -0.02 -1.26 -4.78 135.00 127.34 2azm n PRO 1893Ca 0.02 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 2azm n PRO 1893Cb 0.40 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 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 -2.78 1.54 -0.20 -0.52 1.02 -1.26 -0.82 119.74 116.72 2azm s LYS 1894Ca 0.72 -1.88 -0.12 0.00 0.02 0.00 0.00 55.97 54.71 2azm s LYS 1894Cb -0.43 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 2azm s LYS 1894CO 0.49 -0.96 0.22 0.08 -0.92 0.00 0.00 175.35 174.26 2azm s VAL 1895N 0.92 5.34 0.05 3.17 1.01 0.38 -0.61 120.40 130.66 2azm s VAL 1895Ca 0.11 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2azm s VAL 1895Cb -0.19 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2azm s VAL 1895CO -0.08 0.37 0.12 -0.22 0.00 0.00 0.00 175.10 175.29 2azm s LEU 1896N 0.75 4.00 0.15 3.92 2.96 0.11 -0.98 118.68 129.58 2azm s LEU 1896Ca 0.11 0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.26 2azm s LEU 1896Cb -0.13 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2azm s LEU 1896CO 0.03 0.21 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.64 2azm s PHE 1897N -1.36 2.31 -0.01 5.38 0.40 -1.26 -0.05 117.98 123.40 2azm s PHE 1897Ca 0.29 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2azm s PHE 1897Cb -0.12 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.19 2azm s PHE 1897CO 0.21 0.39 -0.01 -0.08 0.70 0.00 0.00 175.22 176.43 2azm s THR 1898N -1.24 0.12 0.00 0.64 -1.32 -1.00 -4.91 115.64 107.93 2azm s THR 1898Ca 0.16 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 2azm s THR 1898Cb -0.09 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 2azm s THR 1898CO 0.07 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 2azm n GLY 1899N 3.35 0.36 3.06 6.08 0.00 -1.26 -4.62 105.19 112.15 2azm n GLY 1899Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 2azm n GLY 1899CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2azm s VAL 1900N -1.96 0.76 -0.31 1.61 -7.23 -1.26 -4.97 120.40 107.05 2azm s VAL 1900Ca 0.00 -0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 59.35 2azm s VAL 1900Cb 0.00 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2azm s VAL 1900CO 0.00 0.03 0.41 -0.69 -0.31 0.00 0.00 175.10 174.54 2azm s VAL 1901N -0.59 5.13 -0.48 1.32 1.01 -1.26 -5.00 120.40 120.53 2azm s VAL 1901Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2azm s VAL 1901Cb -0.06 -3.80 0.22 0.00 0.00 0.00 0.00 36.38 32.75 2azm s VAL 1901CO 0.00 0.00 0.52 -0.67 0.00 0.00 0.00 175.10 174.96 2azm n ASP 1902N 5.45 1.11 -0.27 3.32 2.03 -1.26 -4.95 116.55 121.98 2azm n ASP 1902Ca -0.08 -2.84 0.04 0.00 0.52 0.00 0.00 54.79 52.44 2azm n ASP 1902Cb 0.50 -0.64 0.27 0.00 -0.72 0.00 0.00 41.12 40.53 2azm n ASP 1902CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2azm h ALA 1903N 4.58 1.55 -0.40 -1.67 0.00 -1.98 0.13 119.26 121.47 2azm h ALA 1903Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2azm h ALA 1903Cb 0.83 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2azm h ALA 1903CO 0.55 0.33 0.26 -0.09 0.00 0.00 0.00 179.25 180.29 2azm h ARG 1904N 0.96 0.53 -0.45 0.00 2.43 -1.99 -1.09 114.38 114.78 2azm h ARG 1904Ca 0.36 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.35 2azm h ARG 1904Cb 0.18 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2azm h ARG 1904CO -0.13 0.37 -0.27 0.78 -1.51 0.00 0.00 179.97 179.21 2azm h GLY 1905N 0.54 1.05 0.93 2.80 0.00 -1.70 -1.82 103.07 104.88 2azm h GLY 1905Ca 0.15 -0.98 0.01 0.00 0.00 0.00 0.00 47.33 46.51 2azm h GLY 1905CO -0.03 0.89 0.23 -2.09 0.00 0.00 0.00 176.54 175.54 2azm h GLU 1906N 0.82 0.46 -0.67 4.80 4.81 -0.62 -1.01 114.58 123.16 2azm h GLU 1906Ca 0.09 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2azm h GLU 1906Cb 0.86 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 2azm h GLU 1906CO 0.08 0.30 0.42 0.00 -0.73 0.00 0.00 179.01 179.08 2azm h ARG 1907N 0.47 0.81 -0.95 1.92 3.08 -1.14 -2.48 114.38 116.09 2azm h ARG 1907Ca 0.15 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.20 2azm h ARG 1907Cb -0.01 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 29.80 2azm h ARG 1907CO -0.06 0.54 0.61 0.00 -1.07 0.00 0.00 179.97 179.98 2azm h ALA 1908N 1.28 1.28 0.01 0.04 0.00 -0.95 -1.73 119.26 119.18 2azm h ALA 1908Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2azm h ALA 1908Cb -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 2azm h ALA 1908CO -0.10 0.44 -0.01 0.28 0.00 0.00 0.00 179.25 179.87 2azm h VAL 1909N 1.15 1.04 -0.24 0.00 2.07 -0.73 -0.95 116.25 118.58 2azm h VAL 1909Ca 0.39 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.57 2azm h VAL 1909Cb 0.08 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2azm h VAL 1909CO -0.14 0.04 -0.61 -0.07 0.02 0.00 0.00 177.57 176.80 2azm h LEU 1910N -0.08 0.92 -1.12 2.57 3.38 -1.48 0.70 115.31 120.20 2azm h LEU 1910Ca -0.00 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2azm h LEU 1910Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2azm h LEU 1910CO 0.00 1.31 0.19 0.00 0.09 0.00 0.00 178.44 180.04 2azm h ALA 1911N 0.70 1.30 -0.04 1.53 0.00 -1.25 -2.26 119.26 119.24 2azm h ALA 1911Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2azm h ALA 1911Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2azm h ALA 1911CO 0.13 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.17 2azm n LEU 1912N -4.31 0.79 0.00 0.00 4.32 -0.37 -4.91 117.00 112.52 2azm n LEU 1912Ca 0.04 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.74 2azm n LEU 1912Cb 0.18 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 2azm n LEU 1912CO 0.39 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 2azm n GLY 1913N 1.03 0.76 2.01 -0.72 0.00 -0.85 -4.74 105.19 102.67 2azm n GLY 1913Ca 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.47 0.93 3.30 -0.02 0.00 0.23 -4.75 105.19 102.41 2azm n GLY 1914Ca 0.00 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.06 1.12 -0.20 1.61 1.04 -0.00 -4.05 113.70 110.16 2azm s SER 1915Ca 0.34 -1.35 -0.23 0.00 0.48 0.00 0.00 55.95 55.18 2azm s SER 1915Cb -0.02 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 2azm s SER 1915CO 0.22 -0.71 0.75 -0.76 0.98 0.00 0.00 173.24 173.72 2azm s LEU 1916N -3.28 4.14 0.20 2.42 1.02 -1.26 -0.47 118.68 121.44 2azm s LEU 1916Ca 0.36 1.01 -0.30 0.00 0.02 0.00 0.00 54.13 55.21 2azm s LEU 1916Cb 0.07 -3.09 -0.09 0.00 0.02 0.00 0.00 46.19 43.11 2azm s LEU 1916CO 0.12 -0.38 1.32 0.00 0.02 0.00 0.00 176.35 177.43 2azm s ALA 1917N 2.24 3.53 -0.84 4.21 0.00 -0.16 -4.74 121.76 126.02 2azm s ALA 1917Ca 0.34 1.12 0.26 0.00 0.00 0.00 0.00 51.96 53.67 2azm s ALA 1917Cb -0.16 -3.49 0.68 0.00 0.00 0.00 0.00 23.12 20.15 2azm s ALA 1917CO 0.10 -0.55 1.57 0.41 0.00 0.00 0.00 175.76 177.29 2azm n GLY 1918N 2.40 -1.44 3.52 0.00 0.00 -1.26 -4.72 105.19 103.68 2azm n GLY 1918Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 2azm n GLY 1918CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2azm s SER 1919N -3.67 -0.36 0.33 1.61 1.04 -1.26 -5.04 113.70 106.34 2azm s SER 1919Ca 0.10 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.52 2azm s SER 1919Cb 0.16 0.41 0.61 0.00 0.10 0.00 0.00 66.02 67.29 2azm s SER 1919CO 0.65 -0.67 1.94 0.00 0.98 0.00 0.00 173.24 176.14 2azm h ALA 1920N 2.00 1.58 -0.31 5.32 0.00 -1.93 -2.11 119.26 123.80 2azm h ALA 1920Ca -0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2azm h ALA 1920Cb 1.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2azm h ALA 1920CO 0.31 0.31 0.13 0.00 0.00 0.00 0.00 179.25 180.00 2azm h ALA 1921N 1.55 1.63 -0.01 0.00 0.00 -1.96 -2.57 119.26 117.91 2azm h ALA 1921Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2azm h ALA 1921Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2azm h ALA 1921CO -0.12 0.29 -0.48 -0.85 0.00 0.00 0.00 179.25 178.09 2azm n GLU 1922N -4.41 0.82 -2.76 0.00 0.28 -0.93 -4.98 120.64 108.66 2azm n GLU 1922Ca 0.02 -0.61 -0.37 0.00 -0.16 0.00 0.00 57.16 56.03 2azm n GLU 1922Cb 0.13 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.45 2azm n GLU 1922CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2azm s ALA 1923N -2.60 3.20 -0.09 -1.84 0.00 -0.84 -4.79 121.76 114.79 2azm s ALA 1923Ca 0.18 0.54 0.21 0.00 0.00 0.00 0.00 51.96 52.89 2azm s ALA 1923Cb 0.18 -3.19 -0.28 0.00 0.00 0.00 0.00 23.12 19.83 2azm s ALA 1923CO 0.61 0.14 0.46 -1.13 0.00 0.00 0.00 175.76 175.83 2azm n SER 1924N 0.49 0.13 -3.82 0.00 3.41 0.22 -4.96 113.62 109.08 2azm n SER 1924Ca 0.02 0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 2azm n SER 1924Cb 0.50 1.53 -0.13 0.00 -0.26 0.00 0.00 64.21 65.85 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 -3.24 -0.14 -0.15 7.33 3.76 -1.19 -4.11 115.29 117.56 2azm s HIS 1925Ca -0.08 0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.17 2azm s HIS 1925Cb 0.11 0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.82 2azm s HIS 1925CO 0.88 -0.08 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.42 2azm s LEU 1926N 0.18 2.87 -0.14 0.89 2.96 -0.42 0.08 118.68 125.10 2azm s LEU 1926Ca -0.01 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 2azm s LEU 1926Cb -0.02 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 2azm s LEU 1926CO -0.00 0.14 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.38 2azm s VAL 1927N 0.50 3.32 0.11 1.68 1.01 0.93 -0.11 120.40 127.84 2azm s VAL 1927Ca -0.07 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 2azm s VAL 1927Cb -0.15 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.89 2azm s VAL 1927CO 0.04 0.52 0.94 0.28 0.00 0.00 0.00 175.10 176.88 2azm s THR 1928N 0.33 0.00 -0.12 3.92 -1.32 -0.10 -2.36 115.64 115.98 2azm s THR 1928Ca -0.09 -0.49 0.19 0.00 -1.21 0.00 0.00 61.69 60.10 2azm s THR 1928Cb -0.15 -1.75 -0.29 0.00 -1.51 0.00 0.00 72.50 68.81 2azm s THR 1928CO 0.05 0.00 0.46 -0.90 -2.21 0.00 0.00 174.62 172.02 2azm n ASP 1929N -0.42 0.65 -4.04 8.08 5.68 -1.26 -3.70 116.55 121.55 2azm n ASP 1929Ca -0.07 -0.11 -0.10 0.00 -0.50 0.00 0.00 54.79 54.02 2azm n ASP 1929Cb 0.61 1.78 -0.08 0.00 -1.14 0.00 0.00 41.12 42.29 2azm n ASP 1929CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2azm s ARG 1930N -3.26 1.14 -0.10 0.11 0.52 -1.26 -4.89 118.95 111.21 2azm s ARG 1930Ca -0.05 -1.30 -0.28 0.00 -0.52 0.00 0.00 55.73 53.58 2azm s ARG 1930Cb 0.12 0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.92 2azm s ARG 1930CO 0.79 -0.40 0.94 0.42 0.02 0.00 0.00 175.30 177.07 2azm s ILE 1931N -4.01 4.84 0.01 1.52 1.01 -1.26 -5.04 121.20 118.26 2azm s ILE 1931Ca 0.22 1.90 0.01 0.00 0.00 0.00 0.00 60.65 62.77 2azm s ILE 1931Cb 0.04 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 2azm s ILE 1931CO 0.03 0.05 -0.03 -0.13 0.00 0.00 0.00 174.94 174.86 2azm s ARG 1932N 1.82 0.25 -1.39 2.79 0.52 -1.26 -4.97 118.95 116.70 2azm s ARG 1932Ca 0.45 -0.32 -0.09 0.00 -0.52 0.00 0.00 55.73 55.25 2azm s ARG 1932Cb -0.18 -0.08 0.08 0.00 0.52 0.00 0.00 34.95 35.29 2azm s ARG 1932CO 0.18 0.01 2.26 0.54 0.02 0.00 0.00 175.30 178.32 2azm n ARG 1933N 2.39 3.72 -3.36 3.54 1.74 -1.26 -4.66 116.66 118.77 2azm n ARG 1933Ca -0.17 -3.09 -0.24 0.00 -0.77 0.00 0.00 57.85 53.58 2azm n ARG 1933Cb 0.57 -2.91 -0.01 0.00 -1.02 0.00 0.00 32.46 29.10 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 0.89 5.10 0.15 0.55 -4.23 -1.26 -4.97 115.64 111.87 2azm s THR 1934Ca 0.50 -0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 60.38 2azm s THR 1934Cb 0.14 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 70.17 2azm s THR 1934CO -0.05 -0.57 1.67 0.58 -0.54 0.00 0.00 174.62 175.70 2azm h VAL 1935N 0.73 0.59 -0.65 2.29 2.07 -1.96 -1.48 116.25 117.83 2azm h VAL 1935Ca -0.50 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.10 2azm h VAL 1935Cb 1.22 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 2azm h VAL 1935CO 0.61 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.65 2azm h LYS 1936N -0.08 0.59 0.05 1.57 1.57 -1.96 0.30 116.57 118.61 2azm h LYS 1936Ca 0.15 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2azm h LYS 1936Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2azm h LYS 1936CO -0.35 0.39 -0.02 0.35 -0.57 0.00 0.00 179.45 179.24 2azm h PHE 1937N 0.60 -0.06 -0.62 -1.35 3.57 -1.70 -0.11 116.94 117.29 2azm h PHE 1937Ca 0.31 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2azm h PHE 1937Cb 0.26 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2azm h PHE 1937CO -0.10 0.13 0.34 -0.07 -2.23 0.00 0.00 178.31 176.38 2azm h LEU 1938N -0.23 0.77 -0.39 0.59 3.38 -1.05 -1.11 115.31 117.26 2azm h LEU 1938Ca -0.01 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2azm h LEU 1938Cb 0.21 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2azm h LEU 1938CO 0.01 0.64 0.24 0.00 0.09 0.00 0.00 178.44 179.41 2azm h ALA 1940N 1.16 1.03 -0.23 0.00 0.00 -0.71 -2.11 119.26 118.41 2azm h ALA 1940Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2azm h ALA 1940Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2azm h ALA 1940CO -0.06 0.62 0.06 1.25 0.00 0.00 0.00 179.25 181.12 2azm h LEU 1941N 1.14 0.35 -0.66 0.00 6.46 -1.07 -1.89 115.31 119.63 2azm h LEU 1941Ca 0.27 -0.22 0.11 0.00 -0.12 0.00 0.00 57.88 57.92 2azm h LEU 1941Cb 0.17 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2azm h LEU 1941CO -0.03 0.48 0.23 1.23 -0.62 0.00 0.00 178.44 179.73 2azm h GLY 1942N 0.20 0.93 2.00 3.75 0.00 -0.63 0.10 103.07 109.42 2azm h GLY 1942Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2azm h GLY 1942CO 0.00 -0.06 0.00 3.21 0.00 0.00 0.00 176.54 179.69 2azm h ARG 1943N 0.39 0.00 -1.46 4.80 3.08 -1.13 -3.39 114.38 116.66 2azm h ARG 1943Ca 0.34 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.20 2azm h ARG 1943Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2azm h ARG 1943CO -0.36 0.00 -0.25 0.41 -1.07 0.00 0.00 179.97 178.70 2azm n GLY 1944N 0.78 -0.02 3.82 0.04 0.00 0.36 -4.81 105.19 105.36 2azm n GLY 1944Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.51 3.49 0.22 -0.61 -4.36 -1.00 -4.81 121.20 111.63 2azm s ILE 1945Ca 0.01 0.49 -0.32 0.00 -0.26 0.00 0.00 60.65 60.57 2azm s ILE 1945Cb -0.00 -3.26 -0.12 0.00 1.25 0.00 0.00 42.46 40.32 2azm s ILE 1945CO 0.01 -0.63 1.71 -2.65 0.24 0.00 0.00 174.94 173.62 2azm n PRO 1946N -3.26 2.77 -3.82 0.37 -0.02 -1.26 -4.82 135.00 124.96 2azm n PRO 1946Ca 0.07 1.00 -0.36 0.00 -2.02 0.00 0.00 63.50 62.19 2azm n PRO 1946Cb 0.55 -2.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.07 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 0.98 3.30 0.20 4.25 1.01 -1.26 -1.30 121.20 128.37 2azm s ILE 1947Ca 0.73 -1.62 0.11 0.00 0.00 0.00 0.00 60.65 59.88 2azm s ILE 1947Cb -0.50 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2azm s ILE 1947CO 0.35 -0.37 -0.21 -0.76 0.00 0.00 0.00 174.94 173.95 2azm s LEU 1948N 1.24 2.55 1.05 2.97 1.43 0.85 -1.58 118.68 127.19 2azm s LEU 1948Ca 0.01 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 2azm s LEU 1948Cb -0.21 -1.26 0.23 0.00 0.03 0.00 0.00 46.19 44.98 2azm s LEU 1948CO -0.02 0.11 1.24 -0.94 0.23 0.00 0.00 176.35 176.97 2azm s SER 1949N -2.79 2.35 0.38 2.29 1.04 0.20 -0.92 113.70 116.24 2azm s SER 1949Ca 0.22 0.42 0.28 0.00 0.48 0.00 0.00 55.95 57.35 2azm s SER 1949Cb -0.08 -0.55 1.10 0.00 0.10 0.00 0.00 66.02 66.59 2azm s SER 1949CO 0.11 -3.22 1.82 -0.07 0.98 0.00 0.00 173.24 172.86 2azm h LEU 1950N -1.97 0.00 -1.68 2.42 3.38 -1.90 -3.08 115.31 112.48 2azm h LEU 1950Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2azm h LEU 1950Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2azm h LEU 1950CO 0.37 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.34 2azm h ASP 1951N 0.00 0.00 -0.02 -0.43 3.32 -1.92 -3.21 116.42 114.15 2azm h ASP 1951Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2azm h ASP 1951Cb 0.47 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2azm h ASP 1951CO 0.00 0.00 0.00 -0.25 -1.72 0.00 0.00 179.24 177.27 2azm h TRP 1952N 0.00 0.05 -0.01 4.55 7.01 -1.87 -0.91 115.95 124.77 2azm h TRP 1952Ca 0.00 -0.01 -0.25 0.00 2.11 0.00 0.00 58.89 60.75 2azm h TRP 1952Cb 0.40 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 27.46 2azm h TRP 1952CO 0.00 0.34 -0.98 -0.07 -2.79 0.00 0.00 178.44 174.93 2azm h LEU 1953N -0.26 0.76 0.11 0.65 3.38 -1.81 -0.35 115.31 117.80 2azm h LEU 1953Ca 0.01 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.40 2azm h LEU 1953Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2azm h LEU 1953CO 0.00 1.40 -0.26 0.45 0.09 0.00 0.00 178.44 180.12 2azm h HIS 1954N 0.34 -0.70 -0.13 1.13 3.86 -1.59 -0.06 115.15 118.01 2azm h HIS 1954Ca -0.10 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 58.99 2azm h HIS 1954Cb 1.63 0.29 -0.01 0.00 1.06 0.00 0.00 27.41 30.38 2azm h HIS 1954CO 0.08 -0.36 -0.50 0.37 0.86 0.00 0.00 177.93 178.38 2azm h GLN 1955N -0.47 0.35 -0.87 2.45 5.75 -1.22 -2.77 115.11 118.33 2azm h GLN 1955Ca 0.03 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.34 2azm h GLN 1955Cb 0.50 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.02 2azm h GLN 1955CO -0.15 0.77 0.58 0.77 -2.65 0.00 0.00 178.83 178.15 2azm h SER 1956N 0.28 1.00 0.32 -0.69 0.02 -0.81 -2.45 113.55 111.22 2azm h SER 1956Ca 0.01 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.79 2azm h SER 1956Cb 0.97 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2azm h SER 1956CO 0.08 0.73 -0.59 -0.09 -1.14 0.00 0.00 176.83 175.82 2azm h ARG 1957N 1.18 0.27 -0.94 3.45 2.43 -0.74 0.11 114.38 120.14 2azm h ARG 1957Ca 0.32 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2azm h ARG 1957Cb -0.14 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 2azm h ARG 1957CO -0.07 0.78 0.57 0.87 -1.51 0.00 0.00 179.97 180.61 2azm h LYS 1958N 0.20 1.27 -0.08 0.20 1.57 -1.37 -2.98 116.57 115.39 2azm h LYS 1958Ca -0.00 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 2azm h LYS 1958Cb 1.09 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2azm h LYS 1958CO 0.09 0.89 -0.73 0.00 -0.57 0.00 0.00 179.45 179.13 2azm h ALA 1959N 1.31 0.59 0.00 3.86 0.00 -0.92 -3.48 119.26 120.62 2azm h ALA 1959Ca 0.34 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2azm h ALA 1959Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2azm h ALA 1959CO -0.06 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.36 2azm n GLY 1960N 0.57 0.74 3.43 0.00 0.00 -0.03 -5.06 105.19 104.83 2azm n GLY 1960Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 -0.53 -0.09 1.61 -0.12 -1.07 -4.97 117.98 110.81 2azm s PHE 1961Ca 0.00 0.47 -0.32 0.00 -0.05 0.00 0.00 56.93 57.03 2azm s PHE 1961Cb 0.00 0.49 -0.10 0.00 -0.63 0.00 0.00 43.02 42.79 2azm s PHE 1961CO 0.00 -0.78 2.00 1.19 -0.05 0.00 0.00 175.22 177.59 2azm n PHE 1962N -0.05 2.26 -1.64 3.49 3.01 -1.26 -4.57 117.46 118.70 2azm n PHE 1962Ca -0.17 -0.13 -0.31 0.00 1.01 0.00 0.00 57.45 57.85 2azm n PHE 1962Cb 0.63 -2.71 0.04 0.00 -0.01 0.00 0.00 39.48 37.43 2azm n PHE 1962CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2azm s LEU 1963N 5.26 3.16 0.33 4.37 1.02 -1.26 -5.03 118.68 126.52 2azm s LEU 1963Ca 0.95 1.58 -0.29 0.00 0.02 0.00 0.00 54.13 56.38 2azm s LEU 1963Cb -0.56 -4.49 -0.11 0.00 0.02 0.00 0.00 46.19 41.05 2azm s LEU 1963CO 0.46 -1.32 1.45 -2.16 0.02 0.00 0.00 176.35 174.80 2azm s PRO 1964N -5.06 4.20 0.53 1.29 0.04 -1.26 -4.94 135.00 129.79 2azm s PRO 1964Ca 0.57 2.44 0.31 0.00 0.04 0.00 0.00 61.00 64.37 2azm s PRO 1964Cb -0.13 -3.03 1.24 0.00 0.04 0.00 0.00 34.50 32.61 2azm s PRO 1964CO 0.55 -0.45 1.94 -1.00 0.04 0.00 0.00 177.00 178.08 2azm h PRO 1965N 3.82 0.00 -0.82 0.56 0.13 -2.00 -3.39 132.00 130.31 2azm h PRO 1965Ca -0.49 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 2azm h PRO 1965Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2azm h PRO 1965CO 0.70 0.04 0.37 -0.44 -0.23 0.00 0.00 178.00 178.43 2azm h ASP 1966N 0.00 0.38 0.59 1.44 3.32 -2.02 -0.41 116.42 119.71 2azm h ASP 1966Ca -0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2azm h ASP 1966Cb 0.58 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2azm h ASP 1966CO 0.01 0.13 -0.04 -0.62 -1.72 0.00 0.00 179.24 176.99 2azm n GLU 1967N -4.96 0.40 -0.26 3.56 -0.58 -1.26 -4.05 120.64 113.48 2azm n GLU 1967Ca 0.17 -0.05 0.07 0.00 -0.42 0.00 0.00 57.16 56.93 2azm n GLU 1967Cb 0.47 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 30.04 2azm n GLU 1967CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2azm n TYR 1968N -1.26 0.66 -1.63 -0.32 4.02 -0.16 -5.00 117.16 113.46 2azm n TYR 1968Ca 0.13 -0.53 -0.47 0.00 -0.01 0.00 0.00 57.90 57.01 2azm n TYR 1968Cb 0.27 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.49 2azm n TYR 1968CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2azm n VAL 1969N 0.71 0.59 -1.67 -0.72 0.31 -1.24 -0.63 118.33 115.67 2azm n VAL 1969Ca 0.16 -0.15 -0.44 0.00 -0.01 0.00 0.00 64.34 63.90 2azm n VAL 1969Cb 0.53 -1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 32.21 2azm n VAL 1969CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2azm n VAL 1970N 2.20 0.60 -3.91 2.52 0.31 -0.62 -4.66 118.33 114.77 2azm n VAL 1970Ca 0.15 -0.11 -0.34 0.00 -0.01 0.00 0.00 64.34 64.03 2azm n VAL 1970Cb 0.27 -2.10 -0.13 0.00 -0.91 0.00 0.00 33.84 30.97 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 3.84 2.88 -0.60 2.52 -4.23 -1.26 -4.92 115.64 113.87 2azm s THR 1971Ca 0.88 -1.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2azm s THR 1971Cb -0.54 -2.80 0.18 0.00 1.34 0.00 0.00 72.50 70.68 2azm s THR 1971CO 0.44 -0.31 0.48 -0.67 -0.54 0.00 0.00 174.62 174.03 2azm n ASP 1972N 4.55 1.96 -0.06 3.99 -0.08 -1.26 -4.97 116.55 120.68 2azm n ASP 1972Ca -0.08 -2.97 -0.00 0.00 -1.51 0.00 0.00 54.79 50.22 2azm n ASP 1972Cb 0.43 -0.68 0.29 0.00 2.34 0.00 0.00 41.12 43.49 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 5.24 0.66 -0.11 -0.67 0.13 -1.98 -0.03 132.00 135.23 2azm h PRO 1973Ca 0.19 -0.11 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2azm h PRO 1973Cb 0.79 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2azm h PRO 1973CO 0.62 0.58 -0.04 1.49 -0.23 0.00 0.00 178.00 180.42 2azm h GLU 1974N 0.64 -0.03 0.00 0.86 4.81 -1.99 -1.06 114.58 117.82 2azm h GLU 1974Ca 0.15 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 2azm h GLU 1974Cb 0.21 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2azm h GLU 1974CO -0.01 -0.02 -0.72 1.96 -0.73 0.00 0.00 179.01 179.49 2azm h GLN 1975N -0.03 0.00 -0.59 1.92 1.08 -1.85 -1.00 115.11 114.64 2azm h GLN 1975Ca 0.06 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2azm h GLN 1975Cb 0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2azm h GLN 1975CO -0.13 0.72 0.17 0.93 -0.95 0.00 0.00 178.83 179.57 2azm h GLU 1976N 0.00 0.89 0.02 1.46 5.08 -0.86 -1.35 114.58 119.82 2azm h GLU 1976Ca -0.01 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2azm h GLU 1976Cb 1.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2azm h GLU 1976CO 0.09 0.78 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.65 2azm h LYS 1977N 0.86 -0.02 -0.96 2.33 3.64 -1.09 0.05 116.57 121.38 2azm h LYS 1977Ca 0.19 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.78 2azm h LYS 1977Cb 0.27 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.98 2azm h LYS 1977CO -0.01 0.50 0.54 -0.97 -2.27 0.00 0.00 179.45 177.25 2azm h ASN 1978N -0.56 0.64 -0.01 4.20 -0.00 -1.03 -2.22 115.58 116.59 2azm h ASN 1978Ca -0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.30 56.42 2azm h ASN 1978Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.87 2azm h ASN 1978CO 0.00 0.17 -0.61 0.49 -0.00 0.00 0.00 177.43 177.48 2azm n PHE 1979N -4.87 0.00 -3.03 0.67 3.01 -0.52 -5.01 117.46 107.71 2azm n PHE 1979Ca 0.23 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.57 2azm n PHE 1979Cb 0.62 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.16 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 1.44 -0.13 3.61 1.37 0.00 -0.15 -5.02 105.19 106.32 2azm n GLY 1980Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.26 0.49 -0.18 1.61 -0.12 -0.32 -5.04 117.98 111.17 2azm s PHE 1981Ca 0.01 -0.87 0.01 0.00 -0.05 0.00 0.00 56.93 56.03 2azm s PHE 1981Cb -0.01 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2azm s PHE 1981CO 0.52 -1.14 -0.18 0.45 -0.05 0.00 0.00 175.22 174.81 2azm s SER 1982N -3.08 3.25 0.18 1.98 0.15 -1.26 -4.52 113.70 110.39 2azm s SER 1982Ca 0.23 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 56.10 2azm s SER 1982Cb -0.02 -1.51 0.14 0.00 -1.71 0.00 0.00 66.02 62.93 2azm s SER 1982CO 0.12 0.00 1.67 0.25 1.20 0.00 0.00 173.24 176.48 2azm h LEU 1983N 7.93 -0.34 -0.69 3.45 5.85 -1.93 0.17 115.31 129.74 2azm h LEU 1983Ca -0.45 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 2azm h LEU 1983Cb 1.14 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 2azm h LEU 1983CO 0.63 -0.12 0.13 -0.61 -0.34 0.00 0.00 178.44 178.13 2azm h GLN 1984N 0.04 1.13 -0.22 1.25 5.75 -1.96 0.53 115.11 121.63 2azm h GLN 1984Ca 0.23 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2azm h GLN 1984Cb 0.34 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2azm h GLN 1984CO -0.44 1.02 0.12 -0.44 -2.65 0.00 0.00 178.83 176.44 2azm h ASP 1985N 1.06 0.27 -0.47 -0.69 5.19 -1.86 -0.52 116.42 119.41 2azm h ASP 1985Ca 0.21 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 2azm h ASP 1985Cb 0.42 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.84 2azm h ASP 1985CO 0.01 0.28 0.19 0.00 -3.12 0.00 0.00 179.24 176.60 2azm h ALA 1986N 1.01 1.38 -0.45 3.45 0.00 -0.26 -1.87 119.26 122.51 2azm h ALA 1986Ca 0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2azm h ALA 1986Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2azm h ALA 1986CO -0.01 0.47 0.04 -0.07 0.00 0.00 0.00 179.25 179.68 2azm h LEU 1987N 0.74 0.74 -0.47 0.00 3.38 0.29 -2.51 115.31 117.47 2azm h LEU 1987Ca 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2azm h LEU 1987Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2azm h LEU 1987CO -0.01 0.84 0.28 0.28 0.09 0.00 0.00 178.44 179.91 2azm h SER 1988N 0.62 0.57 -0.35 -0.43 0.02 -0.83 -1.29 113.55 111.86 2azm h SER 1988Ca 0.13 -0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 2azm h SER 1988Cb 0.43 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 2azm h SER 1988CO 0.01 0.46 -0.08 0.03 -1.14 0.00 0.00 176.83 176.12 2azm h ARG 1989N 0.63 0.01 -0.48 3.45 3.08 -1.30 0.64 114.38 120.41 2azm h ARG 1989Ca 0.17 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2azm h ARG 1989Cb -0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2azm h ARG 1989CO -0.03 0.01 0.21 0.00 -1.07 0.00 0.00 179.97 179.08 2azm h ALA 1990N 1.34 1.46 -0.01 0.04 0.00 -1.21 -0.38 119.26 120.50 2azm h ALA 1990Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2azm h ALA 1990Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2azm h ALA 1990CO -0.35 0.42 -0.74 0.00 0.00 0.00 0.00 179.25 178.58 2azm h ARG 1991N 0.68 0.08 0.09 0.00 3.08 -0.48 -3.31 114.38 114.51 2azm h ARG 1991Ca 0.17 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 2azm h ARG 1991Cb 0.11 0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.20 2azm h ARG 1991CO -0.02 0.78 -0.62 1.49 -1.07 0.00 0.00 179.97 180.53 2azm h GLU 1992N 0.05 0.27 -4.33 0.04 4.57 -0.55 -3.48 114.58 111.15 2azm h GLU 1992Ca -0.02 -0.41 -0.21 0.00 -1.18 0.00 0.00 59.36 57.54 2azm h GLU 1992Cb 1.31 0.14 -0.20 0.00 -0.16 0.00 0.00 28.75 29.85 2azm h GLU 1992CO 0.10 1.16 -0.71 1.03 -1.18 0.00 0.00 179.01 179.41 2azm s ARG 1993N -2.58 0.49 -0.27 1.92 0.52 -0.18 -5.11 118.95 113.73 2azm s ARG 1993Ca -0.14 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 53.96 2azm s ARG 1993Cb 0.01 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.41 2azm s ARG 1993CO 0.80 -0.01 1.08 1.03 0.02 0.00 0.00 175.30 178.22 2azm s ARG 1994N -2.01 4.15 0.29 3.54 1.81 -1.26 -4.04 118.95 121.43 2azm s ARG 1994Ca -0.08 1.23 0.03 0.00 -1.72 0.00 0.00 55.73 55.19 2azm s ARG 1994Cb -0.07 -3.70 0.65 0.00 -0.45 0.00 0.00 34.95 31.38 2azm s ARG 1994CO -0.02 -0.78 1.78 1.25 -0.68 0.00 0.00 175.30 176.85 2azm h LEU 1995N 9.83 0.73 -3.27 2.53 5.85 -1.81 -2.78 115.31 126.39 2azm h LEU 1995Ca -0.20 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2azm h LEU 1995Cb 1.06 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2azm h LEU 1995CO 1.01 0.29 -0.02 0.18 -0.34 0.00 0.00 178.44 179.56 2azm n LEU 1996N -4.78 3.86 -4.65 2.25 4.77 0.72 -4.87 117.00 114.30 2azm n LEU 1996Ca 0.21 -3.28 -0.51 0.00 -0.03 0.00 0.00 56.01 52.41 2azm n LEU 1996Cb 0.50 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 2azm n LEU 1996CO 0.22 0.87 1.18 1.21 -1.33 0.00 0.00 177.39 179.53 2azm n GLU 1997N -0.80 1.64 -0.34 3.23 4.07 -1.05 -1.28 120.64 126.11 2azm n GLU 1997Ca 0.25 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.95 2azm n GLU 1997Cb 0.93 -2.32 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 2azm n GLU 1997CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2azm n GLY 1998N 3.44 1.34 3.77 8.31 0.00 -1.26 -5.00 105.19 115.80 2azm n GLY 1998Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.98 3.81 -0.20 1.61 1.51 -0.40 -4.76 117.35 115.94 2azm s TYR 1999Ca 0.00 1.45 -0.01 0.00 -1.01 0.00 0.00 57.07 57.51 2azm s TYR 1999Cb 0.00 -2.70 0.01 0.00 -0.11 0.00 0.00 41.96 39.16 2azm s TYR 1999CO 0.00 0.45 -0.14 -1.21 -1.11 0.00 0.00 175.55 173.54 2azm s GLU 2000N -0.73 3.13 -0.12 -0.62 2.02 -0.67 -0.37 118.70 121.34 2azm s GLU 2000Ca 0.34 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.58 2azm s GLU 2000Cb -0.21 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.30 2azm s GLU 2000CO 0.23 -0.21 -0.11 0.42 0.02 0.00 0.00 175.26 175.60 2azm s ILE 2001N 1.36 1.29 -0.06 -1.63 1.01 0.08 -0.84 121.20 122.42 2azm s ILE 2001Ca 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 2azm s ILE 2001Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2azm s ILE 2001CO -0.09 0.41 0.11 -0.47 0.00 0.00 0.00 174.94 174.89 2azm s TYR 2002N 1.46 3.42 -0.11 3.97 5.04 -0.60 0.13 117.35 130.66 2azm s TYR 2002Ca 0.02 0.34 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 2azm s TYR 2002Cb -0.13 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.36 2azm s TYR 2002CO -0.07 0.62 -0.15 0.08 -1.34 0.00 0.00 175.55 174.68 2azm s VAL 2003N -1.12 1.52 0.53 3.14 1.01 -1.26 0.28 120.40 124.50 2azm s VAL 2003Ca 0.20 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2azm s VAL 2003Cb -0.12 -1.39 -0.07 0.00 0.00 0.00 0.00 36.38 34.81 2azm s VAL 2003CO 0.10 0.44 1.01 0.42 0.00 0.00 0.00 175.10 177.07 2azm s THR 2004N 0.99 4.27 0.57 3.92 -4.23 -0.48 -4.79 115.64 115.90 2azm s THR 2004Ca -0.06 1.13 0.38 0.00 -1.18 0.00 0.00 61.69 61.95 2azm s THR 2004Cb -0.15 -3.60 0.40 0.00 1.34 0.00 0.00 72.50 70.49 2azm s THR 2004CO -0.02 -0.58 2.28 -0.65 -0.54 0.00 0.00 174.62 175.11 2azm h PRO 2005N 0.89 0.00 -0.02 3.99 0.11 -1.96 -2.69 132.00 132.32 2azm h PRO 2005Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2azm h PRO 2005Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2azm h PRO 2005CO 0.60 0.01 -0.08 0.41 -0.21 0.00 0.00 178.00 178.74 2azm n GLY 2006N -1.01 0.51 3.75 -0.55 0.00 -1.26 -4.73 105.19 101.89 2azm n GLY 2006Ca -0.03 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.10 2.61 -0.11 1.61 1.01 -1.02 -5.00 120.40 117.41 2azm s VAL 2007Ca 0.29 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2azm s VAL 2007Cb 0.20 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.49 2azm s VAL 2007CO 0.36 -0.10 -0.18 -1.10 0.00 0.00 0.00 175.10 174.08 2azm s GLN 2008N -3.45 2.47 0.66 2.72 -1.52 -1.26 -3.04 119.66 116.25 2azm s GLN 2008Ca 0.77 -0.66 -0.16 0.00 -1.95 0.00 0.00 55.36 53.36 2azm s GLN 2008Cb -0.30 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.46 2azm s GLN 2008CO 0.35 -0.02 1.18 -1.25 -0.25 0.00 0.00 175.29 175.29 2azm s PRO 2009N 0.87 2.61 0.92 2.91 0.04 -1.26 -4.94 135.00 136.14 2azm s PRO 2009Ca -0.08 1.68 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 2azm s PRO 2009Cb -0.15 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.62 2azm s PRO 2009CO -0.00 -1.46 1.09 -2.30 0.04 0.00 0.00 177.00 174.37 2azm n PRO 2010N -2.25 -0.42 -0.32 0.56 -0.02 -1.17 -4.83 135.00 126.55 2azm n PRO 2010Ca 0.13 -0.06 -0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2azm n PRO 2010Cb 0.51 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.70 2azm n PRO 2010CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2azm h PRO 2011N -1.83 -0.04 -0.72 0.52 0.11 -1.82 -1.73 132.00 126.50 2azm h PRO 2011Ca -0.43 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.75 2azm h PRO 2011Cb 1.27 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 2azm h PRO 2011CO 0.41 -0.02 0.40 -1.35 -0.21 0.00 0.00 178.00 177.22 2azm h PRO 2012N -0.04 0.69 -1.33 1.05 0.11 -1.96 0.70 132.00 131.22 2azm h PRO 2012Ca 0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2azm h PRO 2012Cb 0.61 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2azm h PRO 2012CO -0.90 0.46 0.00 1.04 -0.21 0.00 0.00 178.00 178.39 2azm n GLN 2013N -4.78 0.69 0.00 1.05 6.02 -0.65 -1.80 117.38 117.91 2azm n GLN 2013Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2azm n GLN 2013Cb 0.21 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2azm n GLN 2013CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2azm n GLY 2015N 0.68 0.00 0.08 1.08 0.00 0.24 -2.48 105.19 104.80 2azm n GLY 2015Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2azm n GLY 2015CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2azm h GLU 2016N 0.00 0.01 -0.52 1.61 4.11 -1.60 -1.38 114.58 116.80 2azm h GLU 2016Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2azm h GLU 2016Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2azm h GLU 2016CO 0.00 0.90 0.18 0.82 0.07 0.00 0.00 179.01 180.98 2azm h ILE 2017N 0.00 1.23 -0.11 -1.06 2.04 -1.79 -1.98 117.51 115.85 2azm h ILE 2017Ca -0.01 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2azm h ILE 2017Cb 1.59 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2azm h ILE 2017CO 0.12 0.27 0.06 0.40 0.00 0.00 0.00 178.15 179.00 2azm h ILE 2018N 0.71 1.09 -0.90 -0.67 2.04 -1.82 -2.80 117.51 115.15 2azm h ILE 2018Ca 0.17 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2azm h ILE 2018Cb 0.24 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2azm h ILE 2018CO -0.01 0.08 0.52 0.28 0.00 0.00 0.00 178.15 179.03 2azm h SER 2019N 0.07 1.11 0.55 1.72 0.02 -1.23 -1.63 113.55 114.15 2azm h SER 2019Ca 0.04 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2azm h SER 2019Cb 0.08 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 2azm h SER 2019CO -0.01 0.87 -0.12 0.00 -1.14 0.00 0.00 176.83 176.43 2azm n GLY 2022N 0.99 0.46 3.92 0.00 0.00 -0.63 -0.20 105.19 109.73 2azm n GLY 2022Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 1.63 -0.33 -0.02 0.00 -0.66 -3.80 107.32 102.14 2azm s GLY 2023Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.88 2azm s GLY 2023CO 0.00 -0.40 0.21 -1.59 0.00 0.00 0.00 173.10 171.32 2azm s THR 2024N -3.08 5.03 -0.10 0.90 2.01 0.50 -4.05 115.64 116.84 2azm s THR 2024Ca 0.56 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2azm s THR 2024Cb -0.11 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2azm s THR 2024CO 0.46 -0.00 1.14 -0.47 -0.69 0.00 0.00 174.62 175.06 2azm s TYR 2025N 1.68 3.24 -0.56 4.92 5.04 -1.26 -0.74 117.35 129.67 2azm s TYR 2025Ca 0.05 1.31 -0.17 0.00 -2.44 0.00 0.00 57.07 55.82 2azm s TYR 2025Cb -0.17 -3.36 0.12 0.00 0.35 0.00 0.00 41.96 38.89 2azm s TYR 2025CO 0.09 -1.01 0.58 -0.51 -1.34 0.00 0.00 175.55 173.36 2azm s LEU 2026N 2.43 5.84 0.28 6.97 1.02 0.12 -4.89 118.68 130.44 2azm s LEU 2026Ca 0.53 -1.62 0.26 0.00 0.02 0.00 0.00 54.13 53.31 2azm s LEU 2026Cb -0.22 -2.25 0.78 0.00 0.02 0.00 0.00 46.19 44.52 2azm s LEU 2026CO 0.18 -0.96 1.75 1.55 0.02 0.00 0.00 176.35 178.90 2azm h PRO 2027N 9.00 0.00 0.00 1.29 0.13 -1.95 -3.40 132.00 137.08 2azm h PRO 2027Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2azm h PRO 2027Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2azm h PRO 2027CO 1.06 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.26 2azm n SER 2028N -2.46 0.00 -4.07 1.44 7.64 -1.26 -5.04 113.62 109.87 2azm n SER 2028Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.74 2azm n SER 2028Cb 0.41 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.47 2azm n SER 2028CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2azm s PRO 2030N 2.33 0.79 -0.07 1.43 0.04 -1.26 -4.97 135.00 133.30 2azm s PRO 2030Ca 0.00 -0.52 0.10 0.00 0.04 0.00 0.00 61.00 60.61 2azm s PRO 2030Cb 0.00 -0.75 0.15 0.00 0.04 0.00 0.00 34.50 33.94 2azm s PRO 2030CO 0.00 0.19 1.04 0.54 0.04 0.00 0.00 177.00 178.81 2azm n ARG 2031N 2.37 1.27 -3.65 4.56 1.74 -1.26 -4.63 116.66 117.06 2azm n ARG 2031Ca -0.16 -1.88 -0.11 0.00 -0.77 0.00 0.00 57.85 54.93 2azm n ARG 2031Cb 0.56 -1.12 -0.05 0.00 -1.02 0.00 0.00 32.46 30.83 2azm n ARG 2031CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2azm s SER 2032N -1.89 -0.22 0.17 0.55 1.04 -1.26 -4.96 113.70 107.12 2azm s SER 2032Ca 0.17 -0.27 -0.28 0.00 0.48 0.00 0.00 55.95 56.05 2azm s SER 2032Cb 0.14 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 2azm s SER 2032CO 0.02 -0.80 0.88 -0.47 0.98 0.00 0.00 173.24 173.84 2azm s TYR 2033N -3.50 3.90 -0.05 5.02 5.04 -1.26 -4.97 117.35 121.54 2azm s TYR 2033Ca 0.01 1.76 -0.09 0.00 -2.44 0.00 0.00 57.07 56.31 2azm s TYR 2033Cb 0.01 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.42 2azm s TYR 2033CO -0.10 0.40 0.22 0.21 -1.34 0.00 0.00 175.55 174.94 2azm s LYS 2034N -0.79 0.41 0.32 4.97 2.20 -1.26 -5.10 119.74 120.50 2azm s LYS 2034Ca 0.40 0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.73 2azm s LYS 2034Cb -0.24 0.19 -0.12 0.00 -1.51 0.00 0.00 37.83 36.14 2azm s LYS 2034CO 0.29 -0.09 1.33 -2.30 -0.36 0.00 0.00 175.35 174.22 2azm n PRO 2035N 2.17 2.15 -1.04 4.03 -0.02 -1.26 -2.15 135.00 138.89 2azm n PRO 2035Ca -0.17 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 2azm n PRO 2035Cb 0.57 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2azm n PRO 2035CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2azm n GLN 2036N 0.84 -1.06 -3.17 -0.52 3.00 -1.26 -4.84 117.38 110.36 2azm n GLN 2036Ca 0.06 0.34 -0.43 0.00 -0.01 0.00 0.00 57.00 56.96 2azm n GLN 2036Cb 0.35 -4.18 -0.07 0.00 0.00 0.00 0.00 30.24 26.34 2azm n GLN 2036CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2azm s ARG 2037N -1.30 3.23 0.16 -1.09 3.52 -0.91 -1.66 118.95 120.90 2azm s ARG 2037Ca 0.00 -0.48 0.09 0.00 -0.13 0.00 0.00 55.73 55.21 2azm s ARG 2037Cb 0.00 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 2azm s ARG 2037CO 0.00 -0.95 -0.19 0.14 -0.81 0.00 0.00 175.30 173.49 2azm s VAL 2038N 2.61 1.83 -0.16 7.11 -7.23 -0.02 -4.40 120.40 120.14 2azm s VAL 2038Ca 0.19 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2azm s VAL 2038Cb -0.15 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 34.96 2azm s VAL 2038CO 0.17 -0.28 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.84 2azm s VAL 2039N -1.95 2.65 -0.23 1.32 1.01 -0.64 -1.56 120.40 121.00 2azm s VAL 2039Ca 0.15 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2azm s VAL 2039Cb -0.06 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2azm s VAL 2039CO 0.06 0.51 0.59 -0.63 0.00 0.00 0.00 175.10 175.64 2azm s ILE 2040N 0.89 5.03 0.17 2.22 -1.09 0.14 -0.41 121.20 128.15 2azm s ILE 2040Ca -0.04 1.08 0.02 0.00 -2.23 0.00 0.00 60.65 59.48 2azm s ILE 2040Cb -0.15 -3.91 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 2azm s ILE 2040CO -0.01 0.09 0.18 1.07 -1.23 0.00 0.00 174.94 175.04 2azm n THR 2041N 4.93 0.00 -3.67 2.92 5.66 -0.08 -1.38 114.28 122.67 2azm n THR 2041Ca -0.02 -1.13 -0.11 0.00 -3.05 0.00 0.00 64.05 59.74 2azm n THR 2041Cb 0.49 0.60 -0.05 0.00 -1.55 0.00 0.00 70.33 69.82 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 2.65 0.06 0.00 0.00 0.11 -1.99 0.17 132.00 133.00 2azm h PRO 2043Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2azm h PRO 2043Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2azm h PRO 2043CO 0.47 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 2azm n GLN 2044N -5.38 0.31 -0.80 1.05 0.00 -1.26 -3.24 117.38 108.07 2azm n GLN 2044Ca 0.26 0.04 0.05 0.00 0.00 0.00 0.00 57.00 57.34 2azm n GLN 2044Cb 0.85 -1.50 0.34 0.00 0.00 0.00 0.00 30.24 29.93 2azm n GLN 2044CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2azm n ASP 2045N -1.32 5.05 -0.16 2.61 8.00 0.60 -4.63 116.55 126.70 2azm n ASP 2045Ca 0.11 -2.84 0.10 0.00 0.71 0.00 0.00 54.79 52.87 2azm n ASP 2045Cb 0.23 -0.67 0.42 0.00 -0.02 0.00 0.00 41.12 41.08 2azm n ASP 2045CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 2azm h PHE 2046N 3.34 0.64 0.00 1.24 -5.15 -1.67 0.94 116.94 116.27 2azm h PHE 2046Ca 0.03 0.02 -0.01 0.00 -0.20 0.00 0.00 57.97 57.80 2azm h PHE 2046Cb 1.83 -0.21 -0.00 0.00 0.22 0.00 0.00 35.95 37.79 2azm h PHE 2046CO 0.98 0.30 -0.07 -1.35 -2.00 0.00 0.00 178.31 176.18 2azm h PRO 2047N 0.60 0.00 0.00 6.09 0.11 -1.91 -2.37 132.00 134.52 2azm h PRO 2047Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2azm h PRO 2047Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2azm h PRO 2047CO -0.11 0.07 -0.32 0.72 -0.21 0.00 0.00 178.00 178.14 2azm n HIS 2048N -3.56 0.75 1.43 0.65 8.25 0.31 -3.56 115.22 119.49 2azm n HIS 2048Ca -0.02 0.22 0.14 0.00 -0.26 0.00 0.00 57.72 57.80 2azm n HIS 2048Cb 0.18 -0.80 0.65 0.00 1.12 0.00 0.00 29.99 31.14 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 0.43 -1.01 0.15 0.00 0.87 -1.64 -0.55 113.55 111.80 2azm h SER 2050Ca 0.00 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2azm h SER 2050Cb 0.33 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2azm h SER 2050CO 0.00 -0.29 -0.07 0.40 -0.53 0.00 0.00 176.83 176.33 2azm h ILE 2051N -0.18 0.95 -0.73 2.23 2.04 -1.88 -2.45 117.51 117.50 2azm h ILE 2051Ca 0.21 -1.09 0.15 0.00 1.00 0.00 0.00 64.86 65.13 2azm h ILE 2051Cb 0.53 1.55 -0.14 0.00 -0.74 0.00 0.00 36.82 38.02 2azm h ILE 2051CO -0.60 0.23 -0.15 -0.65 0.00 0.00 0.00 178.15 176.98 2azm h PRO 2052N -0.78 0.02 -0.68 2.37 0.11 -1.79 -0.02 132.00 131.22 2azm h PRO 2052Ca -0.02 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.17 2azm h PRO 2052Cb 0.53 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.57 2azm h PRO 2052CO 0.03 0.01 0.34 -0.07 -0.21 0.00 0.00 178.00 178.11 2azm h LEU 2053N 0.02 0.46 -0.78 2.35 4.07 -1.16 0.80 115.31 121.07 2azm h LEU 2053Ca 0.36 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 58.32 2azm h LEU 2053Cb 0.56 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 2azm h LEU 2053CO -0.73 0.28 0.29 0.03 -1.08 0.00 0.00 178.44 177.23 2azm h ARG 2054N 0.61 1.19 -0.01 1.13 3.08 -0.56 -3.24 114.38 116.57 2azm h ARG 2054Ca 0.32 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2azm h ARG 2054Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2azm h ARG 2054CO -0.24 0.97 -0.16 1.33 -1.07 0.00 0.00 179.97 180.80 2azm n VAL 2055N -4.27 0.00 -1.65 2.04 0.24 -0.27 -4.95 118.33 109.47 2azm n VAL 2055Ca 0.07 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2azm n VAL 2055Cb 0.20 0.64 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 2azm n VAL 2055CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2azm n GLY 2056N 1.29 0.61 3.79 7.63 0.00 0.09 -4.14 105.19 114.46 2azm n GLY 2056Ca 0.15 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 4.49 0.28 0.99 1.02 -0.12 -4.99 118.68 120.35 2azm s LEU 2057Ca 0.00 1.56 -0.29 0.00 0.02 0.00 0.00 54.13 55.41 2azm s LEU 2057Cb 0.00 -3.41 -0.10 0.00 0.02 0.00 0.00 46.19 42.71 2azm s LEU 2057CO 0.00 0.14 1.33 -2.16 0.02 0.00 0.00 176.35 175.68 2azm s PRO 2058N -1.47 4.35 -0.29 1.29 0.04 -1.26 -4.54 135.00 133.12 2azm s PRO 2058Ca 0.38 2.18 -0.11 0.00 0.04 0.00 0.00 61.00 63.50 2azm s PRO 2058Cb -0.20 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2azm s PRO 2058CO 0.24 -0.25 0.18 -0.51 0.04 0.00 0.00 177.00 176.70 2azm s LEU 2059N -1.00 4.05 0.16 -3.56 1.43 -1.26 -1.61 118.68 116.89 2azm s LEU 2059Ca 0.53 -0.19 0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2azm s LEU 2059Cb -0.39 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 2azm s LEU 2059CO 0.46 -0.10 -0.23 -0.76 0.23 0.00 0.00 176.35 175.94 2azm s LEU 2060N 1.71 2.46 0.47 1.79 1.43 0.45 -0.93 118.68 126.06 2azm s LEU 2060Ca 0.06 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 2azm s LEU 2060Cb -0.16 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 2azm s LEU 2060CO 0.09 0.15 1.15 -0.55 0.23 0.00 0.00 176.35 177.42 2azm s SER 2061N -2.41 6.14 0.50 2.29 0.15 -0.60 -0.90 113.70 118.87 2azm s SER 2061Ca 0.18 2.28 0.34 0.00 0.70 0.00 0.00 55.95 59.45 2azm s SER 2061Cb -0.09 -2.60 1.47 0.00 -1.71 0.00 0.00 66.02 63.09 2azm s SER 2061CO 0.09 -0.94 1.74 -0.65 1.20 0.00 0.00 173.24 174.68 2azm h PRO 2062N 1.95 0.09 0.00 5.44 0.11 -1.92 -1.51 132.00 136.16 2azm h PRO 2062Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2azm h PRO 2062Cb 1.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2azm h PRO 2062CO 0.60 0.06 -0.01 0.93 -0.21 0.00 0.00 178.00 179.37 2azm h GLU 2063N 0.09 0.00 -0.81 1.05 4.39 -1.94 -0.02 114.58 117.34 2azm h GLU 2063Ca 0.66 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.52 2azm h GLU 2063Cb 2.38 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.93 2azm h GLU 2063CO -0.13 0.01 0.36 0.35 -1.16 0.00 0.00 179.01 178.44 2azm h PHE 2064N 0.00 0.61 0.03 4.33 3.57 -1.61 0.65 116.94 124.53 2azm h PHE 2064Ca -0.00 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.32 2azm h PHE 2064Cb 0.04 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2azm h PHE 2064CO 0.00 0.08 -1.17 -0.07 -2.23 0.00 0.00 178.31 174.91 2azm h LEU 2065N 0.49 0.10 -0.90 0.59 3.38 -1.27 -2.35 115.31 115.34 2azm h LEU 2065Ca 0.46 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2azm h LEU 2065Cb 0.72 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2azm h LEU 2065CO -0.42 1.48 0.57 -0.07 0.09 0.00 0.00 178.44 180.09 2azm h LEU 2066N -0.80 1.06 0.20 1.67 3.38 -1.12 0.27 115.31 119.98 2azm h LEU 2066Ca -0.30 -0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.27 2azm h LEU 2066Cb 1.40 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 41.90 2azm h LEU 2066CO -0.11 0.79 -1.71 0.74 0.09 0.00 0.00 178.44 178.24 2azm h THR 2067N 1.23 1.00 -0.37 0.22 2.02 -1.08 -3.33 112.91 112.60 2azm h THR 2067Ca 0.33 -2.55 -0.06 0.00 0.77 0.00 0.00 66.41 64.90 2azm h THR 2067Cb -0.10 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2azm h THR 2067CO -0.07 0.85 -0.00 1.23 0.37 0.00 0.00 175.52 177.90 2azm h GLY 2068N 0.57 0.71 1.23 2.16 0.00 -1.22 -2.21 103.07 104.31 2azm h GLY 2068Ca -0.33 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.36 2azm h GLY 2068CO 0.20 0.48 -0.18 -2.08 0.00 0.00 0.00 176.54 174.96 2azm h VAL 2069N 0.48 1.27 -0.21 4.60 2.07 -0.64 0.43 116.25 124.25 2azm h VAL 2069Ca 0.10 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2azm h VAL 2069Cb 0.47 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2azm h VAL 2069CO 0.02 0.45 0.09 0.25 0.02 0.00 0.00 177.57 178.40 2azm h LEU 2070N 0.78 0.29 -0.04 2.57 5.85 -1.64 -2.09 115.31 121.04 2azm h LEU 2070Ca 0.11 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2azm h LEU 2070Cb 0.72 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2azm h LEU 2070CO 0.06 0.37 0.00 0.29 -0.34 0.00 0.00 178.44 178.81 2azm n LYS 2071N -4.82 0.15 -3.83 1.25 5.02 -0.84 -4.88 118.16 110.21 2azm n LYS 2071Ca -0.04 0.15 -0.25 0.00 -2.02 0.00 0.00 58.31 56.15 2azm n LYS 2071Cb 0.12 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.47 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 -1.94 -4.78 -3.73 1.97 1.13 -0.01 -4.58 117.38 105.44 2azm n GLN 2072Ca 0.06 0.57 -0.25 0.00 -1.94 0.00 0.00 57.00 55.44 2azm n GLN 2072Cb 0.38 -5.17 -0.17 0.00 0.11 0.00 0.00 30.24 25.39 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 -6.30 0.53 -0.46 -1.09 2.02 -0.33 -4.92 118.70 108.14 2azm s GLU 2073Ca 0.23 -0.12 -0.22 0.00 0.02 0.00 0.00 54.97 54.88 2azm s GLU 2073Cb -0.12 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.61 2azm s GLU 2073CO 0.83 -0.49 0.75 0.00 0.02 0.00 0.00 175.26 176.38 2azm s ALA 2074N 1.95 3.30 -0.65 5.21 0.00 -1.26 -4.41 121.76 125.90 2azm s ALA 2074Ca 0.02 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.90 2azm s ALA 2074Cb -0.15 -3.45 0.17 0.00 0.00 0.00 0.00 23.12 19.70 2azm s ALA 2074CO -0.07 -1.94 0.47 1.63 0.00 0.00 0.00 175.76 175.85 2azm n LYS 2075N 6.64 1.50 0.20 0.00 5.02 -1.26 -4.96 118.16 125.30 2azm n LYS 2075Ca 0.01 -4.22 0.04 0.00 -2.02 0.00 0.00 58.31 52.12 2azm n LYS 2075Cb 0.48 -2.16 0.45 0.00 -0.02 0.00 0.00 35.03 33.78 2azm n LYS 2075CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2azm h PRO 2076N 5.41 0.02 -0.23 1.97 0.13 -1.95 -2.71 132.00 134.64 2azm h PRO 2076Ca 0.18 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.36 2azm h PRO 2076Cb 0.78 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2azm h PRO 2076CO 0.65 0.26 0.16 0.93 -0.23 0.00 0.00 178.00 179.77 2azm h GLU 2077N 0.02 0.06 -0.01 0.86 3.07 -2.01 -2.86 114.58 113.71 2azm h GLU 2077Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2azm h GLU 2077Cb 0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2azm h GLU 2077CO 0.03 0.04 -0.23 0.00 -1.40 0.00 0.00 179.01 177.46 2azm n ALA 2078N -2.57 3.02 -1.09 3.43 0.00 -1.02 -4.13 120.51 118.15 2azm n ALA 2078Ca 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 53.44 53.10 2azm n ALA 2078Cb 0.27 -1.12 0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.48 0.00 -2.11 0.00 3.01 -1.08 -5.02 117.46 111.78 2azm n PHE 2079Ca 0.13 -0.71 -0.42 0.00 1.01 0.00 0.00 57.45 57.46 2azm n PHE 2079Cb 0.36 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.98 3.29 0.05 -4.37 1.01 -1.24 -1.56 120.40 115.60 2azm s VAL 2080Ca 0.20 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 2azm s VAL 2080Cb 0.18 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2azm s VAL 2080CO 0.02 0.03 1.19 -0.76 0.00 0.00 0.00 175.10 175.58 2azm s LEU 2081N 1.82 4.36 0.39 3.92 1.43 -0.10 -4.90 118.68 125.60 2azm s LEU 2081Ca 0.67 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 55.74 2azm s LEU 2081Cb -0.37 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 2azm s LEU 2081CO 0.30 -0.47 0.62 -0.94 0.23 0.00 0.00 176.35 176.09 2azm s SER 2082N 1.09 6.25 0.00 2.29 1.04 -1.26 -4.94 113.70 118.17 2azm s SER 2082Ca 0.58 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2azm s SER 2082Cb -0.29 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2azm s SER 2082CO 0.29 -0.40 0.49 -2.65 0.98 0.00 0.00 173.24 171.95