#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lbx h SER 1901N 0.00 -1.41 -0.87 1.61 0.02 -2.04 0.87 113.55 111.73 3lbx h SER 1901Ca 0.00 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 3lbx h SER 1901Cb 0.00 0.48 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 3lbx h SER 1901CO 0.00 -0.62 0.57 0.74 -1.14 0.00 0.00 176.83 176.38 3lbx h THR 1902N -0.91 1.17 -0.24 -2.27 2.02 -2.04 0.15 112.91 110.79 3lbx h THR 1902Ca -0.04 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3lbx h THR 1902Cb 0.83 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3lbx h THR 1902CO -0.13 0.20 0.02 0.00 0.37 0.00 0.00 175.52 175.98 3lbx h ALA 1903N 1.48 0.32 0.63 6.16 0.00 -1.86 -1.40 119.26 124.58 3lbx h ALA 1903Ca 0.34 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3lbx h ALA 1903Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3lbx h ALA 1903CO -0.09 0.02 -0.32 -0.44 0.00 0.00 0.00 179.25 178.42 3lbx h ASP 1904N 0.20 -0.77 0.00 0.00 5.19 0.15 0.35 116.42 121.54 3lbx h ASP 1904Ca 0.07 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3lbx h ASP 1904Cb 0.36 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.03 3lbx h ASP 1904CO 0.01 -0.53 -0.51 0.50 -3.12 0.00 0.00 179.24 175.58 3lbx h LYS 1905N -0.87 -0.62 -0.85 3.56 3.64 -0.77 0.20 116.57 120.85 3lbx h LYS 1905Ca -0.08 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.53 3lbx h LYS 1905Cb 0.68 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.52 3lbx h LYS 1905CO 0.13 -0.41 0.34 0.35 -2.27 0.00 0.00 179.45 177.59 3lbx h PHE 1906N -0.64 0.57 -0.20 1.91 3.57 -1.15 0.34 116.94 121.34 3lbx h PHE 1906Ca 0.01 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 3lbx h PHE 1906Cb 0.69 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3lbx h PHE 1906CO -0.51 -0.03 -0.32 -0.09 -2.23 0.00 0.00 178.31 175.13 3lbx h ARG 1907N 0.40 0.40 0.66 1.11 2.43 0.57 -2.39 114.38 117.56 3lbx h ARG 1907Ca 0.51 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3lbx h ARG 1907Cb 0.91 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.45 3lbx h ARG 1907CO -0.50 0.68 -0.32 0.35 -1.51 0.00 0.00 179.97 178.68 3lbx h PHE 1908N 0.35 -0.82 -0.27 2.20 3.57 0.27 -1.96 116.94 120.27 3lbx h PHE 1908Ca 0.04 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.60 3lbx h PHE 1908Cb 0.74 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3lbx h PHE 1908CO 0.02 -0.49 0.21 0.74 -2.23 0.00 0.00 178.31 176.56 3lbx h PHE 1909N -0.97 0.00 -0.44 0.41 0.04 -1.42 -0.37 116.94 114.19 3lbx h PHE 1909Ca -0.09 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.58 3lbx h PHE 1909Cb 0.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3lbx h PHE 1909CO -0.02 0.00 -0.10 1.03 -0.60 0.00 0.00 178.31 178.62 3lbx h SER 1910N 0.00 0.85 -0.12 2.17 0.87 -1.17 -2.09 113.55 114.06 3lbx h SER 1910Ca 0.13 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 3lbx h SER 1910Cb 0.54 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3lbx h SER 1910CO -0.00 1.01 -0.08 0.24 -0.53 0.00 0.00 176.83 177.47 3lbx h MET 1911N 0.68 0.27 0.32 2.24 2.86 -0.34 -2.56 114.93 118.40 3lbx h MET 1911Ca 0.11 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3lbx h MET 1911Cb 0.64 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3lbx h MET 1911CO 0.04 0.63 -0.42 0.00 1.06 0.00 0.00 176.91 178.22 3lbx h ALA 1912N 0.63 -0.87 -0.65 6.32 0.00 -1.26 0.52 119.26 123.95 3lbx h ALA 1912Ca 0.02 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.94 3lbx h ALA 1912Cb 0.56 0.64 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 3lbx h ALA 1912CO 0.02 -1.04 -0.17 -0.09 0.00 0.00 0.00 179.25 177.98 3lbx h ARG 1913N -0.79 -0.00 -0.95 0.00 2.43 -1.43 0.64 114.38 114.27 3lbx h ARG 1913Ca -0.02 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3lbx h ARG 1913Cb 0.73 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 3lbx h ARG 1913CO -0.13 -0.00 0.62 -0.44 -1.51 0.00 0.00 179.97 178.51 3lbx h ASP 1914N -0.00 1.06 0.08 -3.80 3.32 -0.96 0.39 116.42 116.51 3lbx h ASP 1914Ca 0.31 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.15 3lbx h ASP 1914Cb 0.48 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3lbx h ASP 1914CO -0.67 0.75 -0.69 -0.07 -1.72 0.00 0.00 179.24 176.84 3lbx h LEU 1915N 1.25 0.64 -0.58 1.55 4.07 0.16 -2.28 115.31 120.11 3lbx h LEU 1915Ca 0.36 -0.40 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 3lbx h LEU 1915Cb -0.09 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 3lbx h LEU 1915CO -0.09 1.15 0.05 -0.07 -1.08 0.00 0.00 178.44 178.39 3lbx h LEU 1916N 0.39 0.97 -0.31 1.67 3.38 0.70 -1.00 115.31 121.11 3lbx h LEU 1916Ca -0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3lbx h LEU 1916Cb 1.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3lbx h LEU 1916CO 0.13 1.01 0.09 0.77 0.09 0.00 0.00 178.44 180.53 3lbx h SER 1917N 0.89 0.46 -0.91 -0.43 4.64 -0.95 -2.44 113.55 114.81 3lbx h SER 1917Ca 0.17 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3lbx h SER 1917Cb 0.49 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3lbx h SER 1917CO 0.02 0.55 0.53 -0.25 -0.87 0.00 0.00 176.83 176.81 3lbx h TRP 1918N 0.34 1.23 -0.08 4.77 7.01 -1.24 -2.13 115.95 125.86 3lbx h TRP 1918Ca 0.10 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3lbx h TRP 1918Cb 0.27 -0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 26.93 3lbx h TRP 1918CO 0.01 0.83 0.03 0.52 -2.79 0.00 0.00 178.44 177.04 3lbx h MET 1919N 1.27 0.12 -0.91 2.65 2.86 -1.11 -1.37 114.93 118.43 3lbx h MET 1919Ca 0.32 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 58.05 3lbx h MET 1919Cb -0.02 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 3lbx h MET 1919CO -0.06 0.25 0.59 1.49 1.06 0.00 0.00 176.91 180.25 3lbx h GLU 1920N -0.05 0.86 -0.29 1.72 4.81 -1.25 0.54 114.58 120.93 3lbx h GLU 1920Ca 0.03 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3lbx h GLU 1920Cb 0.18 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3lbx h GLU 1920CO -0.00 0.57 0.10 1.03 -0.73 0.00 0.00 179.01 179.98 3lbx h SER 1921N 0.89 0.40 -0.18 1.04 0.87 -1.10 -0.97 113.55 114.50 3lbx h SER 1921Ca 0.43 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 3lbx h SER 1921Cb 0.46 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3lbx h SER 1921CO -0.19 0.48 -0.29 0.40 -0.53 0.00 0.00 176.83 176.70 3lbx h ILE 1922N 0.31 1.34 -0.64 2.23 2.04 -0.10 0.31 117.51 122.99 3lbx h ILE 1922Ca 0.09 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.51 3lbx h ILE 1922Cb 0.21 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3lbx h ILE 1922CO -0.01 0.46 0.34 0.40 0.00 0.00 0.00 178.15 179.34 3lbx h ILE 1923N 0.18 0.93 -0.27 -0.67 2.04 0.02 0.86 117.51 120.60 3lbx h ILE 1923Ca 0.02 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3lbx h ILE 1923Cb 0.86 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3lbx h ILE 1923CO 0.07 0.11 -0.10 -0.09 0.00 0.00 0.00 178.15 178.14 3lbx h ARG 1924N 0.62 0.44 -0.67 2.37 2.43 -1.10 -2.55 114.38 115.92 3lbx h ARG 1924Ca 0.29 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3lbx h ARG 1924Cb 0.22 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3lbx h ARG 1924CO -0.20 0.55 0.43 0.37 -1.51 0.00 0.00 179.97 179.61 3lbx h GLN 1925N 0.41 0.90 0.55 0.20 4.15 0.13 -0.43 115.11 121.01 3lbx h GLN 1925Ca 0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 3lbx h GLN 1925Cb 0.44 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.93 3lbx h GLN 1925CO 0.02 0.61 -0.26 0.82 -1.93 0.00 0.00 178.83 178.09 3lbx h ILE 1926N 0.92 0.00 -0.76 2.39 2.04 -0.67 -3.33 117.51 118.10 3lbx h ILE 1926Ca 0.25 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3lbx h ILE 1926Cb -0.08 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 35.96 3lbx h ILE 1926CO -0.05 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 178.25 3lbx h GLU 1927N -0.96 1.01 -0.63 2.37 5.08 -1.48 -3.21 114.58 116.77 3lbx h GLU 1927Ca -0.07 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3lbx h GLU 1927Cb 0.56 -0.22 -0.11 0.00 0.50 0.00 0.00 28.75 29.48 3lbx h GLU 1927CO 0.12 0.69 -0.47 1.79 -1.00 0.00 0.00 179.01 180.14 3lbx h THR 1928N 1.04 0.05 -3.41 1.13 1.35 -1.18 -3.40 112.91 108.50 3lbx h THR 1928Ca 0.28 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.61 3lbx h THR 1928Cb -0.08 0.05 0.05 0.00 -1.73 0.00 0.00 68.15 66.45 3lbx h THR 1928CO -0.06 0.00 0.73 -1.10 -0.25 0.00 0.00 175.52 174.85 3lbx s GLN 1929N -5.77 4.29 -0.28 4.72 -1.52 -1.21 -4.77 119.66 115.12 3lbx s GLN 1929Ca -0.14 2.26 -0.27 0.00 -1.95 0.00 0.00 55.36 55.26 3lbx s GLN 1929Cb 0.13 -3.12 0.01 0.00 -0.22 0.00 0.00 33.01 29.80 3lbx s GLN 1929CO 0.65 -0.38 0.96 -1.21 -0.25 0.00 0.00 175.29 175.07 3lbx s GLU 1930N -0.40 4.13 0.13 2.91 2.02 -1.26 -5.02 118.70 121.21 3lbx s GLU 1930Ca 0.58 1.05 -0.03 0.00 0.02 0.00 0.00 54.97 56.58 3lbx s GLU 1930Cb -0.41 -3.69 0.01 0.00 0.10 0.00 0.00 34.13 30.15 3lbx s GLU 1930CO 0.43 -0.71 0.23 -2.13 0.02 0.00 0.00 175.26 173.11 3lbx n ARG 1931N 6.42 0.34 0.00 1.61 3.00 -1.26 -4.89 116.66 121.87 3lbx n ARG 1931Ca 0.09 -0.85 0.00 0.00 -0.00 0.00 0.00 57.85 57.09 3lbx n ARG 1931Cb 0.47 0.95 0.00 0.00 0.00 0.00 0.00 32.46 33.88 3lbx n ARG 1931CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3lbx n ASP 1934N -1.48 0.00 -4.85 6.15 2.03 -1.26 -5.12 116.55 112.02 3lbx n ASP 1934Ca -0.02 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.96 3lbx n ASP 1934Cb 0.21 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.55 3lbx n ASP 1934CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3lbx s VAL 1935N -0.49 4.73 0.05 5.18 1.01 -1.26 -5.04 120.40 124.58 3lbx s VAL 1935Ca 0.00 0.88 -0.32 0.00 0.00 0.00 0.00 61.98 62.54 3lbx s VAL 1935Cb 0.00 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.56 3lbx s VAL 1935CO 0.00 -0.10 1.42 0.77 0.00 0.00 0.00 175.10 177.19 3lbx h SER 1936N 2.50 -0.97 0.00 3.32 4.64 -2.03 -3.46 113.55 117.54 3lbx h SER 1936Ca -0.48 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3lbx h SER 1936Cb 1.18 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3lbx h SER 1936CO 0.66 -0.67 0.00 -1.54 -0.87 0.00 0.00 176.83 174.41 3lbx n SER 1937N -5.23 0.02 -4.64 4.97 3.41 -1.26 -4.99 113.62 105.91 3lbx n SER 1937Ca -0.14 0.04 -0.35 0.00 -0.26 0.00 0.00 58.87 58.16 3lbx n SER 1937Cb 0.45 0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 3lbx n SER 1937CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3lbx s VAL 1938N -1.10 4.28 -0.37 -3.33 1.01 -1.26 -4.80 120.40 114.82 3lbx s VAL 1938Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3lbx s VAL 1938Cb 0.00 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.61 3lbx s VAL 1938CO 0.00 0.57 0.16 -1.83 0.00 0.00 0.00 175.10 174.00 3lbx s GLU 1939N -0.49 2.55 0.26 2.72 -1.05 -1.26 -4.86 118.70 116.57 3lbx s GLU 1939Ca 0.09 -1.33 0.23 0.00 -0.15 0.00 0.00 54.97 53.81 3lbx s GLU 1939Cb -0.12 -3.57 0.99 0.00 -0.44 0.00 0.00 34.13 30.99 3lbx s GLU 1939CO 0.02 -0.80 1.70 1.28 0.95 0.00 0.00 175.26 178.41 3lbx n LEU 1940N 4.82 0.64 0.21 1.83 4.77 -1.26 -2.82 117.00 125.20 3lbx n LEU 1940Ca -0.11 0.67 0.16 0.00 -0.03 0.00 0.00 56.01 56.71 3lbx n LEU 1940Cb 0.44 -0.60 0.82 0.00 -2.33 0.00 0.00 43.42 41.75 3lbx n LEU 1940CO 0.34 -0.60 1.14 -0.07 -1.33 0.00 0.00 177.39 176.87 3lbx h LEU 1941N 0.00 0.00 0.33 2.23 4.07 -1.97 0.59 115.31 120.56 3lbx h LEU 1941Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3lbx h LEU 1941Cb 0.32 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 3lbx h LEU 1941CO 0.00 0.00 -0.20 0.24 -1.08 0.00 0.00 178.44 177.40 3lbx h MET 1942N 0.00 -0.50 -0.25 1.13 2.86 -1.95 0.54 114.93 116.78 3lbx h MET 1942Ca 0.08 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3lbx h MET 1942Cb 0.42 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3lbx h MET 1942CO -0.00 -0.33 0.11 -0.22 1.06 0.00 0.00 176.91 177.53 3lbx h LYS 1943N -0.51 0.36 -0.44 1.72 1.63 -1.46 -2.18 116.57 115.69 3lbx h LYS 1943Ca -0.03 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3lbx h LYS 1943Cb 0.42 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 3lbx h LYS 1943CO 0.04 0.38 0.28 -0.92 -3.45 0.00 0.00 179.45 175.78 3lbx h TYR 1944N 0.25 0.57 -0.48 1.91 5.03 -0.85 -1.29 116.97 122.12 3lbx h TYR 1944Ca 0.08 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.26 3lbx h TYR 1944Cb 0.15 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 3lbx h TYR 1944CO -0.01 0.38 -0.22 1.25 -1.32 0.00 0.00 178.16 178.24 3lbx h HIS 1945N 0.59 1.13 -0.51 -3.82 2.76 0.17 -3.10 115.15 112.37 3lbx h HIS 1945Ca 0.16 -0.28 -0.12 0.00 -2.20 0.00 0.00 60.37 57.93 3lbx h HIS 1945Cb -0.03 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 3lbx h HIS 1945CO -0.04 1.10 -0.17 0.37 -1.30 0.00 0.00 177.93 177.89 3lbx h GLN 1946N 0.85 1.01 -0.95 5.26 4.15 -1.33 -2.91 115.11 121.19 3lbx h GLN 1946Ca 0.11 -0.40 0.24 0.00 0.77 0.00 0.00 58.65 59.36 3lbx h GLN 1946Cb 0.80 -0.05 -0.13 0.00 0.21 0.00 0.00 27.48 28.32 3lbx h GLN 1946CO 0.07 1.09 0.50 0.78 -1.93 0.00 0.00 178.83 179.34 3lbx h GLY 1947N 0.90 1.75 0.68 2.39 0.00 -1.16 0.37 103.07 108.00 3lbx h GLY 1947Ca 0.12 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.26 3lbx h GLY 1947CO 0.06 -0.26 0.22 -2.22 0.00 0.00 0.00 176.54 174.33 3lbx h ILE 1948N 0.49 0.92 -0.91 2.60 2.04 -1.47 -2.01 117.51 119.18 3lbx h ILE 1948Ca 0.61 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 66.36 3lbx h ILE 1948Cb 1.17 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 3lbx h ILE 1948CO -0.50 0.08 0.59 -1.13 0.00 0.00 0.00 178.15 177.18 3lbx h ASN 1949N 0.43 0.97 -0.62 1.72 -1.24 -0.29 -1.66 115.58 114.90 3lbx h ASN 1949Ca 0.22 -0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.29 3lbx h ASN 1949Cb 0.16 -0.22 -0.06 0.00 0.73 0.00 0.00 38.32 38.93 3lbx h ASN 1949CO -0.17 0.66 0.29 0.00 -1.29 0.00 0.00 177.43 176.92 3lbx h ALA 1950N 1.38 0.82 -0.57 1.57 0.00 -0.59 -0.97 119.26 120.89 3lbx h ALA 1950Ca 0.37 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3lbx h ALA 1950Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3lbx h ALA 1950CO -0.13 -0.08 0.17 0.93 0.00 0.00 0.00 179.25 180.14 3lbx h GLU 1951N 0.54 0.87 -0.54 0.00 5.08 -0.90 -2.51 114.58 117.10 3lbx h GLU 1951Ca 0.29 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3lbx h GLU 1951Cb 0.27 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3lbx h GLU 1951CO -0.23 0.76 0.33 0.82 -1.00 0.00 0.00 179.01 179.68 3lbx h ILE 1952N 0.84 1.16 -0.85 3.13 2.04 -0.34 -2.63 117.51 120.86 3lbx h ILE 1952Ca 0.19 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3lbx h ILE 1952Cb 0.26 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3lbx h ILE 1952CO -0.01 0.17 0.55 -0.08 0.00 0.00 0.00 178.15 178.78 3lbx h GLU 1953N 0.73 1.04 -0.94 2.37 4.57 -0.85 -1.95 114.58 119.55 3lbx h GLU 1953Ca 0.20 -0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.46 3lbx h GLU 1953Cb -0.02 -0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 28.26 3lbx h GLU 1953CO -0.04 0.69 0.60 1.79 -1.18 0.00 0.00 179.01 180.87 3lbx h THR 1954N 1.07 0.83 0.00 0.32 1.35 -1.11 0.91 112.91 116.28 3lbx h THR 1954Ca 0.34 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 3lbx h THR 1954Cb -0.01 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.39 3lbx h THR 1954CO -0.11 0.14 0.00 0.03 -0.25 0.00 0.00 175.52 175.33 3lbx h ARG 1955N 0.78 0.00 -0.86 4.72 2.47 -1.24 -3.37 114.38 116.88 3lbx h ARG 1955Ca 0.48 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 59.39 3lbx h ARG 1955Cb 0.70 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.86 3lbx h ARG 1955CO -0.25 0.00 -0.15 0.45 0.56 0.00 0.00 179.97 180.58 3lbx n SER 1956N -2.78 -0.25 0.12 7.04 2.88 0.31 -0.03 113.62 120.92 3lbx n SER 1956Ca 0.02 1.47 -0.14 0.00 -1.33 0.00 0.00 58.87 58.90 3lbx n SER 1956Cb 0.33 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.24 3lbx n SER 1956CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3lbx h LYS 1957N 0.00 -0.23 -0.76 -1.46 1.57 -1.78 -2.72 116.57 111.19 3lbx h LYS 1957Ca 0.44 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.41 3lbx h LYS 1957Cb 0.75 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.98 3lbx h LYS 1957CO -0.86 -0.12 -0.07 -0.91 -0.57 0.00 0.00 179.45 176.92 3lbx h ASN 1958N -0.29 -0.48 0.29 0.86 2.35 -0.71 0.22 115.58 117.81 3lbx h ASN 1958Ca -0.02 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3lbx h ASN 1958Cb 0.22 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3lbx h ASN 1958CO 0.04 -0.21 -0.28 -0.26 -1.65 0.00 0.00 177.43 175.07 3lbx h PHE 1959N 0.06 -0.73 -0.66 1.19 0.04 -1.32 0.42 116.94 115.93 3lbx h PHE 1959Ca 0.40 0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.31 3lbx h PHE 1959Cb 0.68 0.28 -0.11 0.00 2.20 0.00 0.00 35.95 39.01 3lbx h PHE 1959CO -0.49 -0.40 0.08 0.77 -0.60 0.00 0.00 178.31 177.66 3lbx h SER 1960N -0.59 -0.15 0.86 2.17 0.02 -0.47 1.25 113.55 116.64 3lbx h SER 1960Ca -0.01 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3lbx h SER 1960Cb 0.54 0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.32 3lbx h SER 1960CO -0.05 -0.08 -0.41 0.00 -1.14 0.00 0.00 176.83 175.15 3lbx h ALA 1961N 1.58 -1.15 0.03 3.77 0.00 0.04 0.55 119.26 124.07 3lbx h ALA 1961Ca 0.36 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3lbx h ALA 1961Cb 0.59 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3lbx h ALA 1961CO -0.51 -1.13 -0.38 0.00 0.00 0.00 0.00 179.25 177.23 3lbx h LEU 1963N -0.55 0.09 0.35 0.00 -0.00 0.17 -0.91 115.31 114.46 3lbx h LEU 1963Ca 0.05 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.98 3lbx h LEU 1963Cb 0.62 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 3lbx h LEU 1963CO -0.28 0.08 -0.17 -0.08 -0.00 0.00 0.00 178.44 177.99 3lbx h GLU 1964N 0.28 -0.45 -0.42 1.13 4.81 0.62 -0.61 114.58 119.93 3lbx h GLU 1964Ca 0.22 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 3lbx h GLU 1964Cb 0.26 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.65 3lbx h GLU 1964CO -0.26 -0.29 -0.17 1.25 -0.73 0.00 0.00 179.01 178.81 3lbx h LEU 1965N -0.48 -0.59 -0.49 1.64 5.85 -0.68 0.21 115.31 120.76 3lbx h LEU 1965Ca -0.05 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3lbx h LEU 1965Cb 0.37 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.64 3lbx h LEU 1965CO 0.08 -0.20 -0.23 1.23 -0.34 0.00 0.00 178.44 178.98 3lbx h GLY 1966N -0.08 0.10 0.88 3.75 0.00 -0.88 0.34 103.07 107.18 3lbx h GLY 1966Ca 0.21 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 3lbx h GLY 1966CO -0.48 -0.21 -0.02 0.83 0.00 0.00 0.00 176.54 176.66 3lbx h GLU 1967N -0.12 -0.06 -0.48 4.80 4.39 0.89 -1.19 114.58 122.80 3lbx h GLU 1967Ca 0.23 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.96 3lbx h GLU 1967Cb 0.48 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3lbx h GLU 1967CO -0.57 0.07 0.27 0.66 -1.16 0.00 0.00 179.01 178.28 3lbx h SER 1968N -0.18 0.41 -0.53 1.42 4.64 -0.32 0.62 113.55 119.61 3lbx h SER 1968Ca -0.01 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 3lbx h SER 1968Cb 0.16 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.11 3lbx h SER 1968CO 0.01 0.29 0.17 -0.07 -0.87 0.00 0.00 176.83 176.36 3lbx h LEU 1969N 0.53 0.13 -0.80 5.97 3.38 -0.08 -0.78 115.31 123.65 3lbx h LEU 1969Ca 0.20 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3lbx h LEU 1969Cb 0.06 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3lbx h LEU 1969CO -0.11 0.10 -0.06 -0.07 0.09 0.00 0.00 178.44 178.38 3lbx h LEU 1970N 0.33 0.82 0.49 1.67 3.38 -0.27 -3.01 115.31 118.72 3lbx h LEU 1970Ca 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3lbx h LEU 1970Cb 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3lbx h LEU 1970CO -0.29 0.92 -0.25 -0.61 0.09 0.00 0.00 178.44 178.30 3lbx h GLN 1971N 0.77 -0.65 -6.28 1.13 4.15 -0.23 -3.38 115.11 110.63 3lbx h GLN 1971Ca 0.14 0.04 -0.55 0.00 0.77 0.00 0.00 58.65 59.05 3lbx h GLN 1971Cb 0.55 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 3lbx h GLN 1971CO 0.03 -0.43 0.90 -0.98 -1.93 0.00 0.00 178.83 176.42 3lbx s ARG 1972N -6.09 4.25 -0.77 1.69 1.70 -0.36 -4.80 118.95 114.57 3lbx s ARG 1972Ca -0.16 1.89 -0.10 0.00 -0.47 0.00 0.00 55.73 56.89 3lbx s ARG 1972Cb 0.04 -3.72 -0.08 0.00 -0.57 0.00 0.00 34.95 30.63 3lbx s ARG 1972CO 0.63 -0.66 1.94 1.04 -1.08 0.00 0.00 175.30 177.17 3lbx n GLN 1973N 6.10 1.69 -1.92 3.89 6.02 -1.26 -4.72 117.38 127.17 3lbx n GLN 1973Ca 0.14 -1.44 -0.41 0.00 -0.01 0.00 0.00 57.00 55.28 3lbx n GLN 1973Cb 0.44 -2.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.18 3lbx n GLN 1973CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3lbx s HIS 1974N 4.03 2.73 -0.49 1.08 2.46 -1.22 -4.91 115.29 118.98 3lbx s HIS 1974Ca 0.40 1.27 0.08 0.00 0.47 0.00 0.00 55.06 57.28 3lbx s HIS 1974Cb 0.10 -3.88 0.50 0.00 -0.13 0.00 0.00 32.58 29.17 3lbx s HIS 1974CO 0.01 -2.57 1.33 1.04 -2.47 0.00 0.00 174.74 172.08 3lbx n GLN 1975N 0.48 3.18 -0.37 2.88 1.13 -1.26 -2.65 117.38 120.77 3lbx n GLN 1975Ca 0.01 -1.95 0.08 0.00 -1.94 0.00 0.00 57.00 53.20 3lbx n GLN 1975Cb 0.41 -1.94 0.25 0.00 0.11 0.00 0.00 30.24 29.06 3lbx n GLN 1975CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lbx n ALA 1976N 0.24 2.60 -0.34 -1.58 0.00 -1.26 -4.81 120.51 115.36 3lbx n ALA 1976Ca 0.21 -1.53 0.15 0.00 0.00 0.00 0.00 53.44 52.26 3lbx n ALA 1976Cb 0.91 -0.69 0.35 0.00 0.00 0.00 0.00 19.45 20.02 3lbx n ALA 1976CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3lbx h SER 1977N 2.72 0.69 0.40 0.00 0.02 -1.89 0.13 113.55 115.61 3lbx h SER 1977Ca 0.00 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3lbx h SER 1977Cb 1.10 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3lbx h SER 1977CO 0.11 0.17 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.45 3lbx h GLU 1978N 0.64 -0.52 -0.98 3.45 3.07 -1.88 0.64 114.58 119.01 3lbx h GLU 1978Ca 0.60 0.04 0.17 0.00 -0.50 0.00 0.00 59.36 59.67 3lbx h GLU 1978Cb 1.06 0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 28.98 3lbx h GLU 1978CO -0.44 -0.21 0.58 1.49 -1.40 0.00 0.00 179.01 179.04 3lbx h GLU 1979N -0.86 0.77 0.03 2.33 4.81 -1.60 -1.61 114.58 118.45 3lbx h GLU 1979Ca -0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3lbx h GLU 1979Cb 0.55 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3lbx h GLU 1979CO 0.09 0.51 -0.02 0.82 -0.73 0.00 0.00 179.01 179.68 3lbx h ILE 1980N 0.79 1.16 -0.11 2.32 2.04 -0.38 -2.02 117.51 121.30 3lbx h ILE 1980Ca 0.54 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3lbx h ILE 1980Cb 0.76 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 3lbx h ILE 1980CO -0.35 0.15 -0.31 -0.09 0.00 0.00 0.00 178.15 177.55 3lbx h ARG 1981N -0.31 -0.38 -0.30 2.37 2.43 0.11 -1.24 114.38 117.06 3lbx h ARG 1981Ca -0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3lbx h ARG 1981Cb 0.29 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3lbx h ARG 1981CO 0.01 -0.26 0.14 0.93 -1.51 0.00 0.00 179.97 179.28 3lbx h GLU 1982N -0.40 0.29 -0.76 0.20 5.08 -1.32 -0.19 114.58 117.48 3lbx h GLU 1982Ca 0.09 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3lbx h GLU 1982Cb 0.54 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3lbx h GLU 1982CO -0.33 0.19 0.47 -0.22 -1.00 0.00 0.00 179.01 178.12 3lbx h LYS 1983N 0.30 1.02 0.00 2.33 1.63 -1.03 0.25 116.57 121.07 3lbx h LYS 1983Ca 0.12 -0.08 -0.09 0.00 -0.85 0.00 0.00 60.65 59.76 3lbx h LYS 1983Cb 0.05 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3lbx h LYS 1983CO -0.09 0.71 -0.42 1.37 -3.45 0.00 0.00 179.45 177.56 3lbx h LEU 1984N 1.04 0.00 0.22 5.20 8.10 -0.47 -0.30 115.31 129.10 3lbx h LEU 1984Ca 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.26 3lbx h LEU 1984Cb -0.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 3lbx h LEU 1984CO -0.05 0.42 -0.11 1.56 -4.11 0.00 0.00 178.44 176.15 3lbx h GLN 1985N 0.00 -0.28 -0.77 0.17 1.08 -0.09 -1.77 115.11 113.44 3lbx h GLN 1985Ca -0.00 0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.39 3lbx h GLN 1985Cb 1.10 0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 28.48 3lbx h GLN 1985CO 0.05 0.04 0.16 0.37 -0.95 0.00 0.00 178.83 178.50 3lbx h GLN 1986N -0.63 0.22 -0.36 1.46 4.15 -0.32 1.16 115.11 120.79 3lbx h GLN 1986Ca -0.03 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 3lbx h GLN 1986Cb 0.45 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3lbx h GLN 1986CO 0.05 0.14 -0.35 -0.24 -1.93 0.00 0.00 178.83 176.50 3lbx h VAL 1987N 0.23 1.28 -0.53 2.39 3.04 -1.05 -1.22 116.25 120.40 3lbx h VAL 1987Ca 0.45 -1.52 -0.10 0.00 -1.01 0.00 0.00 66.70 64.51 3lbx h VAL 1987Cb 0.81 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 3lbx h VAL 1987CO -0.57 0.51 -0.06 0.24 -1.01 0.00 0.00 177.57 176.67 3lbx h MET 1988N 0.68 0.97 0.37 4.17 2.86 0.16 -0.97 114.93 123.17 3lbx h MET 1988Ca 0.06 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3lbx h MET 1988Cb 0.94 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3lbx h MET 1988CO 0.09 1.01 -0.18 1.03 1.06 0.00 0.00 176.91 179.92 3lbx h SER 1989N 0.84 -0.42 0.31 1.22 0.87 0.13 -2.18 113.55 114.32 3lbx h SER 1989Ca 0.14 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3lbx h SER 1989Cb 0.62 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3lbx h SER 1989CO 0.04 -0.28 -0.02 0.03 -0.53 0.00 0.00 176.83 176.06 3lbx h ARG 1990N -0.52 0.00 0.34 2.24 3.08 -1.13 -1.31 114.38 117.07 3lbx h ARG 1990Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3lbx h ARG 1990Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3lbx h ARG 1990CO 0.08 0.02 -0.16 -0.09 -1.07 0.00 0.00 179.97 178.76 3lbx h ARG 1991N 0.00 -0.44 -0.78 0.04 2.43 -0.69 -1.06 114.38 113.88 3lbx h ARG 1991Ca -0.00 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 3lbx h ARG 1991Cb 0.19 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 3lbx h ARG 1991CO 0.00 -0.13 0.46 0.87 -1.51 0.00 0.00 179.97 179.66 3lbx h LYS 1992N -0.98 0.80 -0.87 0.20 1.57 -1.26 -1.09 116.57 114.94 3lbx h LYS 1992Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3lbx h LYS 1992Cb 0.50 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3lbx h LYS 1992CO 0.08 0.53 0.56 1.49 -0.57 0.00 0.00 179.45 181.53 3lbx h GLU 1993N 0.82 1.16 -0.09 3.15 4.81 -1.30 -0.09 114.58 123.04 3lbx h GLU 1993Ca 0.36 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3lbx h GLU 1993Cb 0.23 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3lbx h GLU 1993CO -0.20 0.79 0.03 1.98 -0.73 0.00 0.00 179.01 180.88 3lbx h MET 1994N 1.19 0.14 -0.01 1.92 4.05 0.07 -0.88 114.93 121.41 3lbx h MET 1994Ca 0.32 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.59 3lbx h MET 1994Cb -0.11 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 3lbx h MET 1994CO -0.07 0.27 -0.55 -0.91 0.23 0.00 0.00 176.91 175.88 3lbx h ASN 1995N -0.02 0.02 -0.03 1.39 2.35 -1.17 -0.50 115.58 117.62 3lbx h ASN 1995Ca 0.03 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3lbx h ASN 1995Cb 0.18 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3lbx h ASN 1995CO -0.00 0.57 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.01 3lbx h GLU 1996N 0.01 0.06 0.00 0.81 5.08 -0.99 -1.31 114.58 118.25 3lbx h GLU 1996Ca -0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3lbx h GLU 1996Cb 0.98 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 3lbx h GLU 1996CO 0.07 0.40 -0.02 0.87 -1.00 0.00 0.00 179.01 179.34 3lbx h LYS 1997N -0.29 0.00 0.00 2.33 1.57 -0.94 0.69 116.57 119.93 3lbx h LYS 1997Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3lbx h LYS 1997Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3lbx h LYS 1997CO 0.00 0.02 -0.14 2.35 -0.57 0.00 0.00 179.45 181.10 3lbx h TRP 1998N 0.00 0.00 -0.75 -1.35 7.01 -1.03 -3.23 115.95 116.60 3lbx h TRP 1998Ca -0.00 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 3lbx h TRP 1998Cb 0.38 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.41 3lbx h TRP 1998CO 0.00 0.58 0.30 0.93 -2.79 0.00 0.00 178.44 177.46 3lbx h GLU 1999N -1.00 1.12 -0.38 2.65 4.39 -1.22 0.15 114.58 120.29 3lbx h GLU 1999Ca -0.03 -0.20 0.08 0.00 0.34 0.00 0.00 59.36 59.55 3lbx h GLU 1999Cb 0.60 -0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 3lbx h GLU 1999CO -0.02 0.91 -0.24 0.00 -1.16 0.00 0.00 179.01 178.50 3lbx h ALA 2000N 1.23 -0.00 -0.23 3.43 0.00 0.23 -2.12 119.26 121.80 3lbx h ALA 2000Ca 0.25 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 3lbx h ALA 2000Cb 0.21 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3lbx h ALA 2000CO -0.02 -0.62 -0.13 -0.09 0.00 0.00 0.00 179.25 178.39 3lbx h ARG 2001N -0.18 0.50 -0.97 0.00 2.43 -1.45 -3.27 114.38 111.44 3lbx h ARG 2001Ca 0.18 -0.23 0.20 0.00 -0.81 0.00 0.00 59.98 59.33 3lbx h ARG 2001Cb 0.46 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.89 3lbx h ARG 2001CO -0.48 0.78 0.56 2.35 -1.51 0.00 0.00 179.97 181.67 3lbx h TRP 2002N 0.22 0.97 -0.59 2.20 -0.00 -0.19 0.56 115.95 119.11 3lbx h TRP 2002Ca 0.05 0.04 0.06 0.00 -0.00 0.00 0.00 58.89 59.04 3lbx h TRP 2002Cb 0.65 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.16 29.47 3lbx h TRP 2002CO 0.07 0.15 0.30 1.49 -0.00 0.00 0.00 178.44 180.44 3lbx h GLU 2003N 0.65 0.53 -0.32 2.65 4.57 -1.45 -2.43 114.58 118.78 3lbx h GLU 2003Ca 0.58 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.64 3lbx h GLU 2003Cb 0.98 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3lbx h GLU 2003CO -0.42 0.35 -0.19 -0.09 -1.18 0.00 0.00 179.01 177.48 3lbx h ARG 2004N 0.55 0.59 -0.76 1.92 2.43 -0.03 -2.09 114.38 116.99 3lbx h ARG 2004Ca 0.27 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3lbx h ARG 2004Cb 0.21 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3lbx h ARG 2004CO -0.20 0.74 0.50 -0.07 -1.51 0.00 0.00 179.97 179.43 3lbx h LEU 2005N 0.53 0.70 -0.67 3.80 3.38 -0.71 0.19 115.31 122.53 3lbx h LEU 2005Ca 0.08 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3lbx h LEU 2005Cb 0.62 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3lbx h LEU 2005CO 0.04 0.44 -0.43 0.03 0.09 0.00 0.00 178.44 178.62 3lbx h ARG 2006N 0.79 0.54 -0.08 1.13 3.08 -1.21 -2.56 114.38 116.06 3lbx h ARG 2006Ca 0.33 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3lbx h ARG 2006Cb 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3lbx h ARG 2006CO -0.12 0.87 0.01 1.98 -1.07 0.00 0.00 179.97 181.64 3lbx h MET 2007N 0.44 0.14 -0.26 0.04 4.05 -0.12 -2.99 114.93 116.21 3lbx h MET 2007Ca 0.03 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3lbx h MET 2007Cb 0.93 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.70 3lbx h MET 2007CO 0.08 0.37 -0.10 1.25 0.23 0.00 0.00 176.91 178.74 3lbx h LEU 2008N -0.12 0.41 -1.23 3.39 6.46 -0.83 -2.67 115.31 120.72 3lbx h LEU 2008Ca 0.02 -0.09 0.25 0.00 -0.12 0.00 0.00 57.88 57.94 3lbx h LEU 2008Cb 0.30 -0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.02 3lbx h LEU 2008CO 0.00 0.55 0.64 0.25 -0.62 0.00 0.00 178.44 179.26 3lbx h LEU 2009N 0.40 0.55 0.10 2.25 5.85 -1.31 -2.33 115.31 120.82 3lbx h LEU 2009Ca 0.08 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3lbx h LEU 2009Cb 0.42 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3lbx h LEU 2009CO 0.02 0.12 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.87 3lbx h GLU 2010N 0.50 -0.13 0.36 1.25 4.39 -1.41 -2.29 114.58 117.25 3lbx h GLU 2010Ca 0.60 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.29 3lbx h GLU 2010Cb 1.33 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3lbx h GLU 2010CO -0.35 0.13 -0.17 0.28 -1.16 0.00 0.00 179.01 177.74 3lbx h VAL 2011N -0.38 0.66 -0.55 3.13 2.07 -1.52 0.69 116.25 120.34 3lbx h VAL 2011Ca -0.01 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3lbx h VAL 2011Cb 0.32 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 3lbx h VAL 2011CO 0.02 0.02 -0.05 0.00 0.02 0.00 0.00 177.57 177.59 3lbx h GLN 2013N 0.07 -0.19 -0.07 0.00 4.20 -1.20 -2.58 115.11 115.35 3lbx h GLN 2013Ca 0.28 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.01 3lbx h GLN 2013Cb 0.44 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3lbx h GLN 2013CO -0.51 0.15 0.00 0.35 -0.67 0.00 0.00 178.83 178.16 3lbx h PHE 2014N -0.56 0.00 -0.01 2.96 3.57 0.81 0.84 116.94 124.56 3lbx h PHE 2014Ca -0.02 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3lbx h PHE 2014Cb 0.43 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3lbx h PHE 2014CO 0.04 -0.00 -0.22 1.03 -2.23 0.00 0.00 178.31 176.93 3lbx h SER 2015N 0.03 -0.64 -0.53 0.41 0.87 0.12 -0.48 113.55 113.33 3lbx h SER 2015Ca 0.03 0.09 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 3lbx h SER 2015Cb 0.03 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 3lbx h SER 2015CO -0.05 -0.28 0.23 -0.09 -0.53 0.00 0.00 176.83 176.11 3lbx h ARG 2016N -0.34 0.43 -0.84 2.24 2.43 -1.32 -1.57 114.38 115.41 3lbx h ARG 2016Ca 0.06 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 3lbx h ARG 2016Cb 0.42 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 3lbx h ARG 2016CO -0.20 0.28 0.44 -0.44 -1.51 0.00 0.00 179.97 178.54 3lbx h ASP 2017N 0.44 0.55 0.63 -3.80 3.32 -0.13 -2.25 116.42 115.19 3lbx h ASP 2017Ca 0.25 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 3lbx h ASP 2017Cb 0.23 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3lbx h ASP 2017CO -0.22 0.25 -0.30 0.00 -1.72 0.00 0.00 179.24 177.25 3lbx h ALA 2018N 1.54 -1.05 -0.98 3.45 0.00 -0.13 -2.58 119.26 119.50 3lbx h ALA 2018Ca 0.45 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.44 3lbx h ALA 2018Cb 0.60 0.33 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 3lbx h ALA 2018CO -0.34 -0.99 0.55 0.77 0.00 0.00 0.00 179.25 179.24 3lbx h SER 2019N -0.98 0.56 -0.35 0.00 0.02 -1.26 0.31 113.55 111.84 3lbx h SER 2019Ca -0.09 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3lbx h SER 2019Cb 0.65 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3lbx h SER 2019CO 0.14 0.01 0.21 0.58 -1.14 0.00 0.00 176.83 176.63 3lbx h VAL 2020N 0.47 1.13 0.40 2.27 2.07 -1.42 0.11 116.25 121.29 3lbx h VAL 2020Ca 0.66 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 3lbx h VAL 2020Cb 1.33 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3lbx h VAL 2020CO -0.53 0.13 -0.19 0.00 0.02 0.00 0.00 177.57 177.00 3lbx h ALA 2021N 1.08 -0.54 -0.64 1.67 0.00 -0.15 -1.91 119.26 118.77 3lbx h ALA 2021Ca 0.13 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.00 3lbx h ALA 2021Cb 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 3lbx h ALA 2021CO -0.02 -0.71 0.07 0.93 0.00 0.00 0.00 179.25 179.51 3lbx h GLU 2022N -0.73 0.18 -0.57 0.00 4.39 -0.53 -0.80 114.58 116.52 3lbx h GLU 2022Ca -0.06 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.66 3lbx h GLU 2022Cb 0.51 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 3lbx h GLU 2022CO 0.09 0.12 0.34 0.00 -1.16 0.00 0.00 179.01 178.40 3lbx h ALA 2023N 1.55 0.74 -0.69 3.43 0.00 -0.70 -2.75 119.26 120.83 3lbx h ALA 2023Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3lbx h ALA 2023Cb 0.55 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3lbx h ALA 2023CO -0.49 0.07 0.33 2.35 0.00 0.00 0.00 179.25 181.51 3lbx h TRP 2024N 0.68 0.98 -0.39 0.00 7.01 -0.33 -2.31 115.95 121.59 3lbx h TRP 2024Ca 0.23 -0.04 -0.09 0.00 2.11 0.00 0.00 58.89 61.10 3lbx h TRP 2024Cb 0.03 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.76 3lbx h TRP 2024CO -0.06 0.71 -0.12 -0.07 -2.79 0.00 0.00 178.44 176.11 3lbx h LEU 2025N 0.98 0.69 -0.89 0.65 3.38 -1.22 -2.67 115.31 116.23 3lbx h LEU 2025Ca 0.24 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3lbx h LEU 2025Cb 0.10 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3lbx h LEU 2025CO -0.03 0.84 0.52 0.40 0.09 0.00 0.00 178.44 180.25 3lbx h ILE 2026N 0.63 1.25 -0.24 1.22 1.08 -1.14 -2.99 117.51 117.32 3lbx h ILE 2026Ca 0.11 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 3lbx h ILE 2026Cb 0.58 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3lbx h ILE 2026CO 0.04 0.27 0.11 0.00 -0.69 0.00 0.00 178.15 177.88 3lbx h ALA 2027N 1.28 1.75 0.00 1.87 0.00 -1.09 -2.91 119.26 120.16 3lbx h ALA 2027Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3lbx h ALA 2027Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3lbx h ALA 2027CO -0.06 0.21 -0.07 1.04 0.00 0.00 0.00 179.25 180.37 3lbx n GLN 2028N -4.46 0.18 -0.17 0.00 1.13 -1.13 -4.33 117.38 108.62 3lbx n GLN 2028Ca 0.01 0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 55.11 3lbx n GLN 2028Cb 0.11 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 28.71 3lbx n GLN 2028CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3lbx h GLU 2029N 0.00 -0.27 -0.53 -1.09 4.57 -1.59 -2.15 114.58 113.52 3lbx h GLU 2029Ca 0.00 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 3lbx h GLU 2029Cb 0.67 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.21 3lbx h GLU 2029CO 0.00 -0.18 -0.35 -1.00 -1.18 0.00 0.00 179.01 176.31 3lbx h PRO 2030N -0.28 -0.19 0.24 0.92 0.13 -1.83 0.49 132.00 131.48 3lbx h PRO 2030Ca 0.16 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 3lbx h PRO 2030Cb 0.57 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 3lbx h PRO 2030CO -0.63 -0.13 -0.36 -0.92 -0.23 0.00 0.00 178.00 175.73 3lbx h TYR 2031N -0.20 -0.98 0.00 1.56 3.20 -1.80 -2.86 116.97 115.89 3lbx h TYR 2031Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3lbx h TYR 2031Cb 0.55 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3lbx h TYR 2031CO -0.62 -0.48 0.00 -0.11 -1.64 0.00 0.00 178.16 175.31 3lbx n LEU 2032N -5.45 0.00 0.12 2.82 0.00 -0.15 -2.42 117.00 111.92 3lbx n LEU 2032Ca -0.08 0.46 0.06 0.00 0.00 0.00 0.00 56.01 56.45 3lbx n LEU 2032Cb 0.36 -0.46 0.02 0.00 0.00 0.00 0.00 43.42 43.33 3lbx n LEU 2032CO 0.25 -0.22 0.20 0.00 0.00 0.00 0.00 177.39 177.62 3lbx h ALA 2033N 2.55 0.68 -2.65 1.96 0.00 0.13 -3.49 119.26 118.45 3lbx h ALA 2033Ca 0.00 -0.34 -0.58 0.00 0.00 0.00 0.00 54.91 53.99 3lbx h ALA 2033Cb 0.24 0.06 0.16 0.00 0.00 0.00 0.00 17.79 18.24 3lbx h ALA 2033CO 0.00 0.40 -0.06 -1.13 0.00 0.00 0.00 179.25 178.46 3lbx n SER 2034N -2.95 0.16 -0.90 0.00 3.41 -1.01 -4.94 113.62 107.38 3lbx n SER 2034Ca -0.01 0.81 0.08 0.00 -0.26 0.00 0.00 58.87 59.49 3lbx n SER 2034Cb 0.67 -1.30 0.25 0.00 -0.26 0.00 0.00 64.21 63.57 3lbx n SER 2034CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lbx n GLY 2035N 1.46 3.85 3.67 5.00 0.00 -1.26 -4.97 105.19 112.94 3lbx n GLY 2035Ca 0.12 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 3lbx n GLY 2035CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lbx s ASP 2036N -1.78 6.82 -0.02 1.61 2.15 -1.26 -4.91 116.67 119.28 3lbx s ASP 2036Ca 0.40 0.99 0.02 0.00 0.43 0.00 0.00 52.55 54.40 3lbx s ASP 2036Cb 0.32 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.59 3lbx s ASP 2036CO 0.10 -0.28 0.83 0.49 -0.17 0.00 0.00 175.17 176.14 3lbx n PHE 2037N 4.87 0.00 0.00 -5.34 3.72 -1.26 -5.12 117.46 114.33 3lbx n PHE 2037Ca 0.00 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 3lbx n PHE 2037Cb 0.50 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3lbx n PHE 2037CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3lbx n GLY 2038N -0.37 0.79 0.21 1.37 0.00 -1.26 -4.64 105.19 101.29 3lbx n GLY 2038Ca 0.02 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.43 3lbx n GLY 2038CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3lbx n HIS 2039N 0.98 0.00 -3.54 1.61 1.44 -1.26 -4.92 115.22 109.53 3lbx n HIS 2039Ca 0.00 -0.41 -0.14 0.00 -2.01 0.00 0.00 57.72 55.16 3lbx n HIS 2039Cb 0.00 -0.08 -0.05 0.00 0.12 0.00 0.00 29.99 29.98 3lbx n HIS 2039CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3lbx s THR 2040N -1.11 0.00 0.18 0.61 2.01 -1.26 -5.03 115.64 111.04 3lbx s THR 2040Ca 0.11 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 3lbx s THR 2040Cb 0.10 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.69 3lbx s THR 2040CO 0.01 0.00 1.75 0.58 -0.69 0.00 0.00 174.62 176.27 3lbx h VAL 2041N 2.74 0.83 0.09 3.82 2.07 -1.99 -1.07 116.25 122.73 3lbx h VAL 2041Ca -0.23 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3lbx h VAL 2041Cb 1.16 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3lbx h VAL 2041CO 0.35 0.06 -0.11 -0.78 0.02 0.00 0.00 177.57 177.12 3lbx h ASP 2042N 0.33 -0.29 -0.43 0.57 1.82 -1.99 0.07 116.42 116.51 3lbx h ASP 2042Ca 0.23 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 3lbx h ASP 2042Cb 0.24 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 3lbx h ASP 2042CO -0.24 -0.16 0.26 0.77 -1.61 0.00 0.00 179.24 178.26 3lbx h SER 2043N -0.22 0.51 -0.62 2.28 4.64 -1.86 -1.36 113.55 116.92 3lbx h SER 2043Ca 0.01 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3lbx h SER 2043Cb 0.23 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3lbx h SER 2043CO -0.05 0.41 0.07 0.58 -0.87 0.00 0.00 176.83 176.97 3lbx h VAL 2044N 0.57 1.26 -0.78 0.95 2.07 -1.02 -1.81 116.25 117.49 3lbx h VAL 2044Ca 0.15 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3lbx h VAL 2044Cb -0.01 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3lbx h VAL 2044CO -0.03 0.39 0.45 -0.33 0.02 0.00 0.00 177.57 178.07 3lbx h GLU 2045N 0.95 0.78 -0.41 1.57 5.08 -0.52 -0.19 114.58 121.83 3lbx h GLU 2045Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3lbx h GLU 2045Cb 0.47 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3lbx h GLU 2045CO 0.02 0.51 0.25 0.87 -1.00 0.00 0.00 179.01 179.66 3lbx h LYS 2046N 0.80 0.56 -0.75 2.33 1.57 -0.83 -2.35 116.57 117.90 3lbx h LYS 2046Ca 0.36 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 3lbx h LYS 2046Cb 0.26 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3lbx h LYS 2046CO -0.21 0.42 0.26 -0.07 -0.57 0.00 0.00 179.45 179.28 3lbx h LEU 2047N 0.54 1.06 -0.40 2.94 3.38 -0.64 -1.47 115.31 120.72 3lbx h LEU 2047Ca 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3lbx h LEU 2047Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3lbx h LEU 2047CO -0.03 0.97 0.23 0.40 0.09 0.00 0.00 178.44 180.10 3lbx h ILE 2048N 1.09 1.15 -0.64 1.22 2.04 -0.96 -0.31 117.51 121.10 3lbx h ILE 2048Ca 0.24 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 3lbx h ILE 2048Cb 0.27 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3lbx h ILE 2048CO -0.01 0.15 0.17 0.50 0.00 0.00 0.00 178.15 178.95 3lbx h LYS 2049N 0.52 0.99 -0.76 2.37 3.64 -1.22 0.32 116.57 122.43 3lbx h LYS 2049Ca 0.14 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3lbx h LYS 2049Cb 0.04 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3lbx h LYS 2049CO -0.02 0.87 0.29 -0.09 -2.27 0.00 0.00 179.45 178.23 3lbx h ARG 2050N 0.95 1.14 -0.57 1.90 2.43 -1.05 -1.13 114.38 118.05 3lbx h ARG 2050Ca 0.20 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3lbx h ARG 2050Cb 0.32 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3lbx h ARG 2050CO -0.00 0.94 -0.02 1.25 -1.51 0.00 0.00 179.97 180.63 3lbx h HIS 2051N 1.10 1.12 -0.97 2.20 2.76 -0.28 0.73 115.15 121.79 3lbx h HIS 2051Ca 0.25 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3lbx h HIS 2051Cb 0.24 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 3lbx h HIS 2051CO 0.02 1.00 0.64 0.93 -1.30 0.00 0.00 177.93 179.23 3lbx h GLU 2052N 0.91 1.28 -0.09 5.26 5.08 -0.05 0.47 114.58 127.44 3lbx h GLU 2052Ca 0.16 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3lbx h GLU 2052Cb 0.57 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3lbx h GLU 2052CO 0.03 0.85 -0.03 0.00 -1.00 0.00 0.00 179.01 178.87 3lbx h ALA 2053N 1.39 0.13 -0.32 3.43 0.00 -0.97 -2.92 119.26 120.00 3lbx h ALA 2053Ca 0.36 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3lbx h ALA 2053Cb -0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3lbx h ALA 2053CO -0.08 -0.14 0.05 0.35 0.00 0.00 0.00 179.25 179.44 3lbx h PHE 2054N -0.16 0.09 -0.93 0.00 3.57 0.08 -2.36 116.94 117.23 3lbx h PHE 2054Ca 0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3lbx h PHE 2054Cb 0.44 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3lbx h PHE 2054CO 0.06 0.01 0.56 1.05 -2.23 0.00 0.00 178.31 177.75 3lbx h GLU 2055N 0.16 1.26 0.03 1.11 4.11 -0.14 -1.77 114.58 119.34 3lbx h GLU 2055Ca 0.15 -0.12 0.01 0.00 0.07 0.00 0.00 59.36 59.47 3lbx h GLU 2055Cb 0.17 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3lbx h GLU 2055CO -0.21 0.89 -0.08 -0.22 0.07 0.00 0.00 179.01 179.46 3lbx h LYS 2056N 1.28 -0.15 -0.55 1.06 3.64 -1.23 0.45 116.57 121.08 3lbx h LYS 2056Ca 0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3lbx h LYS 2056Cb -0.05 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3lbx h LYS 2056CO -0.06 -0.10 0.36 0.66 -2.27 0.00 0.00 179.45 178.04 3lbx h SER 2057N -0.15 0.62 -0.43 4.20 4.64 -1.35 0.47 113.55 121.55 3lbx h SER 2057Ca 0.02 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3lbx h SER 2057Cb 0.18 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3lbx h SER 2057CO -0.06 0.45 0.25 0.74 -0.87 0.00 0.00 176.83 177.33 3lbx h THR 2058N 0.73 1.15 -1.00 2.95 2.02 -0.31 -2.97 112.91 115.49 3lbx h THR 2058Ca 0.20 -0.37 0.18 0.00 0.77 0.00 0.00 66.41 67.19 3lbx h THR 2058Cb -0.07 0.61 -0.10 0.00 -1.74 0.00 0.00 68.15 66.85 3lbx h THR 2058CO -0.05 0.16 0.61 0.00 0.37 0.00 0.00 175.52 176.61 3lbx h ALA 2059N 1.10 1.63 -0.66 6.16 0.00 0.21 -2.33 119.26 125.37 3lbx h ALA 2059Ca 0.15 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3lbx h ALA 2059Cb 0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 3lbx h ALA 2059CO -0.03 -0.01 -0.19 1.03 0.00 0.00 0.00 179.25 180.04 3lbx h SER 2060N 0.79 -0.71 0.12 0.00 0.87 -1.27 -0.90 113.55 112.45 3lbx h SER 2060Ca 0.57 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.33 3lbx h SER 2060Cb 0.84 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3lbx h SER 2060CO -0.37 -0.24 0.00 -0.50 -0.53 0.00 0.00 176.83 175.19 3lbx h TRP 2061N -0.03 0.00 -0.95 2.24 4.06 -1.56 -3.25 115.95 116.46 3lbx h TRP 2061Ca 0.31 0.00 0.26 0.00 2.06 0.00 0.00 58.89 61.53 3lbx h TRP 2061Cb 0.50 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.49 3lbx h TRP 2061CO -0.56 0.00 0.07 0.00 -3.56 0.00 0.00 178.44 174.39 3lbx h ALA 2062N 2.03 1.19 0.19 1.49 0.00 -1.29 0.15 119.26 123.03 3lbx h ALA 2062Ca 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3lbx h ALA 2062Cb 0.06 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3lbx h ALA 2062CO 0.00 -0.56 -0.09 0.93 0.00 0.00 0.00 179.25 179.53 3lbx h GLU 2063N 0.04 -0.24 -0.63 0.00 5.08 -1.80 0.17 114.58 117.20 3lbx h GLU 2063Ca 0.59 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 59.09 3lbx h GLU 2063Cb 1.22 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.43 3lbx h GLU 2063CO -0.86 -0.02 0.14 0.00 -1.00 0.00 0.00 179.01 177.27 3lbx h ARG 2064N -0.44 0.26 -0.30 2.33 3.08 -0.99 0.59 114.38 118.92 3lbx h ARG 2064Ca -0.03 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3lbx h ARG 2064Cb 0.34 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3lbx h ARG 2064CO 0.04 0.17 -0.30 0.74 -1.07 0.00 0.00 179.97 179.56 3lbx h PHE 2065N 0.27 0.88 -0.73 3.04 0.04 -1.19 -3.18 116.94 116.07 3lbx h PHE 2065Ca 0.33 -0.26 0.15 0.00 2.80 0.00 0.00 57.97 60.99 3lbx h PHE 2065Cb 0.51 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3lbx h PHE 2065CO -0.25 1.02 0.49 0.00 -0.60 0.00 0.00 178.31 178.97 3lbx h ALA 2066N 0.72 2.16 -0.66 2.45 0.00 0.79 -1.04 119.26 123.67 3lbx h ALA 2066Ca 0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3lbx h ALA 2066Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3lbx h ALA 2066CO 0.07 -0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.13 3lbx h ALA 2067N 1.65 0.88 0.00 0.00 0.00 -0.94 -2.79 119.26 118.06 3lbx h ALA 2067Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3lbx h ALA 2067Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3lbx h ALA 2067CO -0.10 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.02 3lbx n LEU 2068N -4.29 0.50 0.27 0.00 4.77 -0.41 -2.94 117.00 114.91 3lbx n LEU 2068Ca 0.04 0.63 -0.13 0.00 -0.03 0.00 0.00 56.01 56.52 3lbx n LEU 2068Cb 0.25 -0.57 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 3lbx n LEU 2068CO 0.42 -0.52 0.42 -0.08 -1.33 0.00 0.00 177.39 176.30 3lbx h GLU 2069N 0.00 -0.70 -6.83 3.23 4.81 -1.40 -3.45 114.58 110.25 3lbx h GLU 2069Ca 0.00 0.05 -0.55 0.00 -0.13 0.00 0.00 59.36 58.73 3lbx h GLU 2069Cb 0.31 0.16 0.10 0.00 0.63 0.00 0.00 28.75 29.95 3lbx h GLU 2069CO 0.00 -0.40 0.69 0.36 -0.73 0.00 0.00 179.01 178.94 3lbx n LYS 2070N -5.28 2.46 -1.48 1.92 2.85 -1.15 -4.98 118.16 112.49 3lbx n LYS 2070Ca -0.11 0.87 -0.30 0.00 -1.05 0.00 0.00 58.31 57.72 3lbx n LYS 2070Cb 0.32 -2.55 0.22 0.00 -0.65 0.00 0.00 35.03 32.37 3lbx n LYS 2070CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3lbx s PRO 2071N -1.69 -0.43 0.25 -1.58 0.04 -1.26 -5.05 135.00 125.28 3lbx s PRO 2071Ca 0.56 -0.26 0.07 0.00 0.04 0.00 0.00 61.00 61.41 3lbx s PRO 2071Cb -0.52 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3lbx s PRO 2071CO 0.60 -3.15 0.17 0.99 0.04 0.00 0.00 177.00 175.65 3lbx s THR 2072N -3.43 4.33 0.19 1.26 2.01 -1.26 -4.98 115.64 113.76 3lbx s THR 2072Ca 0.73 -1.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3lbx s THR 2072Cb -0.06 -3.33 0.11 0.00 0.01 0.00 0.00 72.50 69.22 3lbx s THR 2072CO 0.55 -0.33 1.74 0.71 -0.69 0.00 0.00 174.62 176.60 3lbx h THR 2073N 1.58 1.24 -0.65 -0.82 1.35 -1.97 0.65 112.91 114.30 3lbx h THR 2073Ca -0.48 -0.77 0.06 0.00 -0.55 0.00 0.00 66.41 64.68 3lbx h THR 2073Cb 1.24 0.49 -0.09 0.00 -1.73 0.00 0.00 68.15 68.05 3lbx h THR 2073CO 0.61 0.30 -0.48 -0.07 -0.25 0.00 0.00 175.52 175.63 3lbx h LEU 2074N 0.96 -1.72 -0.96 3.87 3.38 -1.96 0.97 115.31 119.85 3lbx h LEU 2074Ca 0.22 0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.35 3lbx h LEU 2074Cb 0.22 0.74 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3lbx h LEU 2074CO -0.02 -0.25 -0.46 -0.33 0.09 0.00 0.00 178.44 177.48 3lbx h GLU 2075N -0.13 0.00 0.11 1.13 5.08 -1.85 -3.06 114.58 115.87 3lbx h GLU 2075Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3lbx h GLU 2075Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3lbx h GLU 2075CO -0.68 0.46 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.67 3lbx h LEU 2076N 0.00 -0.13 -1.96 1.33 3.38 0.80 -3.09 115.31 115.64 3lbx h LEU 2076Ca -0.00 -0.22 0.28 0.00 0.09 0.00 0.00 57.88 58.03 3lbx h LEU 2076Cb 0.91 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3lbx h LEU 2076CO 0.06 0.15 0.74 0.11 0.09 0.00 0.00 178.44 179.59 3lbx h LYS 2077N -0.42 0.00 -0.95 1.13 1.57 -0.71 -1.17 116.57 116.02 3lbx h LYS 2077Ca -0.02 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.05 3lbx h LYS 2077Cb 0.34 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.50 3lbx h LYS 2077CO 0.03 0.00 0.37 1.49 -0.57 0.00 0.00 179.45 180.76 3lbx h GLU 2078N 0.00 0.21 -0.91 3.15 4.57 -1.56 -0.12 114.58 119.91 3lbx h GLU 2078Ca 0.46 -0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.87 3lbx h GLU 2078Cb 1.93 -0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 30.31 3lbx h GLU 2078CO -0.00 0.14 0.01 0.00 -1.18 0.00 0.00 179.01 177.97 3lbx h ARG 2079N 0.21 0.05 -0.47 1.92 3.08 -1.41 3.45 114.38 121.21 3lbx h ARG 2079Ca 0.65 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.59 3lbx h ARG 2079Cb 1.44 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 3lbx h ARG 2079CO -0.67 0.03 -0.15 0.37 -1.07 0.00 0.00 179.97 178.48 3lbx h GLN 2080N 0.05 0.89 -0.02 0.04 5.75 -1.24 0.49 115.11 121.07 3lbx h GLN 2080Ca 0.53 -0.33 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 3lbx h GLN 2080Cb 1.03 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 29.53 3lbx h GLN 2080CO -0.84 0.97 -0.55 0.82 -2.65 0.00 0.00 178.83 176.58 3lbx h ILE 2081N 0.79 1.43 0.54 2.39 2.04 0.30 -3.37 117.51 121.62 3lbx h ILE 2081Ca 0.12 -2.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.93 3lbx h ILE 2081Cb 0.68 2.54 0.01 0.00 -0.74 0.00 0.00 36.82 39.30 3lbx h ILE 2081CO 0.05 0.59 -0.26 0.00 0.00 0.00 0.00 178.15 178.53 3lbx h ALA 2082N 0.34 -0.72 0.00 1.87 0.00 0.61 -3.51 119.26 117.85 3lbx h ALA 2082Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3lbx h ALA 2082Cb 1.25 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3lbx h ALA 2082CO 0.11 -0.78 0.00 -1.91 0.00 0.00 0.00 179.25 176.67