#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hib s ILE 1852N 0.00 2.21 -0.04 -0.08 1.01 -1.26 0.23 121.20 123.28 3hib s ILE 1852Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 3hib s ILE 1852Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3hib s ILE 1852CO 0.00 0.53 1.23 0.00 0.00 0.00 0.00 174.94 176.70 3hib s ALA 1853N 1.04 3.50 0.17 9.38 0.00 -1.26 -4.96 121.76 129.62 3hib s ALA 1853Ca -0.01 0.67 -0.33 0.00 0.00 0.00 0.00 51.96 52.29 3hib s ALA 1853Cb -0.14 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 3hib s ALA 1853CO -0.06 -0.76 1.71 0.43 0.00 0.00 0.00 175.76 177.08 3hib n SER 1854N 5.14 3.72 -4.74 0.00 7.64 -1.26 -4.92 113.62 119.19 3hib n SER 1854Ca 0.11 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.70 3hib n SER 1854Cb 0.46 -1.52 0.07 0.00 -1.01 0.00 0.00 64.21 62.21 3hib n SER 1854CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hib s HIS 1855N 1.48 2.28 -0.26 1.43 2.46 -1.26 -4.96 115.29 116.46 3hib s HIS 1855Ca 0.78 1.57 -0.32 0.00 0.47 0.00 0.00 55.06 57.57 3hib s HIS 1855Cb -0.56 -3.38 0.17 0.00 -0.13 0.00 0.00 32.58 28.68 3hib s HIS 1855CO 0.35 -2.26 1.31 1.52 -2.47 0.00 0.00 174.74 173.19 3hib s TYR 1856N -2.03 -0.08 -0.16 3.88 -0.85 -1.26 -5.14 117.35 111.72 3hib s TYR 1856Ca 0.73 0.11 -0.04 0.00 -0.52 0.00 0.00 57.07 57.35 3hib s TYR 1856Cb -0.27 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 3hib s TYR 1856CO 0.42 -0.09 -0.03 0.20 -1.52 0.00 0.00 175.55 174.53 3hib s GLY 1857N -1.35 1.72 0.22 5.49 0.00 -1.26 -5.01 107.32 107.14 3hib s GLY 1857Ca 0.08 -0.83 -0.32 0.00 0.00 0.00 0.00 44.72 43.66 3hib s GLY 1857CO -0.06 -0.04 1.44 -0.62 0.00 0.00 0.00 173.10 173.82 3hib n VAL 1858N 3.58 0.77 -1.80 1.40 0.31 -1.26 -4.90 118.33 116.43 3hib n VAL 1858Ca -0.17 -0.19 -0.35 0.00 -0.01 0.00 0.00 64.34 63.62 3hib n VAL 1858Cb 0.52 -1.48 0.05 0.00 -0.91 0.00 0.00 33.84 32.02 3hib n VAL 1858CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hib s SER 1859N 0.40 4.90 0.40 4.52 1.04 -1.26 -4.87 113.70 118.84 3hib s SER 1859Ca 0.70 2.30 0.08 0.00 0.48 0.00 0.00 55.95 59.51 3hib s SER 1859Cb -0.66 -2.59 0.83 0.00 0.10 0.00 0.00 66.02 63.71 3hib s SER 1859CO 0.48 -1.78 1.99 0.15 0.98 0.00 0.00 173.24 175.05 3hib h PHE 1860N 0.38 0.39 -0.86 5.02 3.57 -1.99 -1.29 116.94 122.16 3hib h PHE 1860Ca -0.49 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 3hib h PHE 1860Cb 1.29 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 3hib h PHE 1860CO 0.48 0.34 0.56 0.35 -2.23 0.00 0.00 178.31 177.81 3hib h PHE 1861N 0.39 1.10 -0.01 0.41 3.57 -1.99 0.52 116.94 120.93 3hib h PHE 1861Ca 0.10 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.41 3hib h PHE 1861Cb 0.15 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3hib h PHE 1861CO 0.00 0.71 -0.85 1.15 -2.23 0.00 0.00 178.31 177.09 3hib h THR 1862N 1.18 1.45 -0.57 4.41 2.02 -1.63 -2.05 112.91 117.72 3hib h THR 1862Ca 0.31 -2.48 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 3hib h THR 1862Cb -0.11 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3hib h THR 1862CO -0.07 0.73 0.12 0.40 0.37 0.00 0.00 175.52 177.07 3hib h ILE 1863N 0.16 1.25 -0.49 3.11 2.04 -0.65 0.08 117.51 123.01 3hib h ILE 1863Ca -0.05 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 3hib h ILE 1863Cb 1.47 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3hib h ILE 1863CO 0.14 0.34 0.31 1.56 0.00 0.00 0.00 178.15 180.49 3hib h GLN 1864N 0.83 0.66 -0.36 2.37 4.20 -0.81 -0.39 115.11 121.61 3hib h GLN 1864Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3hib h GLN 1864Cb 0.38 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3hib h GLN 1864CO 0.01 0.47 0.19 1.03 -0.67 0.00 0.00 178.83 179.85 3hib h SER 1865N 0.66 0.47 -0.38 1.46 0.87 -1.05 -0.99 113.55 114.58 3hib h SER 1865Ca 0.18 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3hib h SER 1865Cb -0.03 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3hib h SER 1865CO -0.03 0.44 0.16 -0.26 -0.53 0.00 0.00 176.83 176.60 3hib h PHE 1866N 0.45 0.57 -0.45 2.24 -1.00 -0.71 -1.48 116.94 116.57 3hib h PHE 1866Ca 0.13 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.90 3hib h PHE 1866Cb 0.09 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.44 3hib h PHE 1866CO -0.02 0.51 0.24 0.28 -1.61 0.00 0.00 178.31 177.71 3hib h VAL 1867N 0.47 1.00 -0.50 -0.55 2.07 -0.92 0.89 116.25 118.70 3hib h VAL 1867Ca 0.13 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3hib h VAL 1867Cb 0.17 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3hib h VAL 1867CO -0.01 0.09 0.22 -1.28 0.02 0.00 0.00 177.57 176.60 3hib h SER 1868N 0.48 0.64 0.69 0.57 0.87 -0.94 -3.23 113.55 112.62 3hib h SER 1868Ca 0.19 -0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.49 3hib h SER 1868Cb 0.07 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 3hib h SER 1868CO -0.12 0.56 -1.44 0.28 -0.53 0.00 0.00 176.83 175.58 3hib h SER 1869N 0.70 0.00 -3.65 6.23 0.02 -0.66 -3.48 113.55 112.71 3hib h SER 1869Ca 0.17 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.62 3hib h SER 1869Cb 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3hib h SER 1869CO -0.02 0.67 0.05 -0.76 -1.14 0.00 0.00 176.83 175.63 3hib s LEU 1870N -5.88 4.05 0.32 5.07 1.43 0.25 -5.01 118.68 118.90 3hib s LEU 1870Ca -0.03 1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 54.18 3hib s LEU 1870Cb 0.08 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.33 3hib s LEU 1870CO 0.81 -0.21 0.49 -0.94 0.23 0.00 0.00 176.35 176.74 3hib s SER 1871N -2.44 0.53 0.31 2.29 1.04 -1.26 -4.91 113.70 109.27 3hib s SER 1871Ca 0.52 -1.31 0.23 0.00 0.48 0.00 0.00 55.95 55.88 3hib s SER 1871Cb -0.10 0.65 1.15 0.00 0.10 0.00 0.00 66.02 67.81 3hib s SER 1871CO 0.20 -1.28 1.71 -0.55 0.98 0.00 0.00 173.24 174.31 3hib h ASN 1872N 2.16 0.00 -0.02 7.02 -1.07 -1.98 -2.34 115.58 119.35 3hib h ASN 1872Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 3hib h ASN 1872Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 3hib h ASN 1872CO 0.39 0.00 -0.01 0.35 0.07 0.00 0.00 177.43 178.22 3hib n THR 1873N -2.30 0.00 -1.66 6.14 -2.24 -1.26 -4.69 114.28 108.27 3hib n THR 1873Ca -0.00 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3hib n THR 1873Cb 0.11 1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 3hib n THR 1873CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hib n SER 1874N 0.79 2.21 -4.98 3.42 7.64 -0.88 -4.99 113.62 116.83 3hib n SER 1874Ca 0.09 1.20 -0.21 0.00 1.01 0.00 0.00 58.87 60.96 3hib n SER 1874Cb 0.37 -1.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.18 3hib n SER 1874CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hib s THR 1875N -1.05 2.29 0.19 0.44 -4.23 -1.26 -4.96 115.64 107.06 3hib s THR 1875Ca 0.57 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 3hib s THR 1875Cb -0.62 -2.43 0.11 0.00 1.34 0.00 0.00 72.50 70.90 3hib s THR 1875CO 0.61 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.68 3hib h LEU 1876N 0.50 0.15 -0.36 4.79 6.46 -1.94 -1.58 115.31 123.33 3hib h LEU 1876Ca -0.35 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 3hib h LEU 1876Cb 1.29 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.26 3hib h LEU 1876CO 0.47 0.11 0.23 0.50 -0.62 0.00 0.00 178.44 179.13 3hib h LYS 1877N 0.34 0.45 -0.60 1.25 3.64 -2.00 -1.30 116.57 118.36 3hib h LYS 1877Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hib h LYS 1877Cb 0.30 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3hib h LYS 1877CO -0.28 0.30 0.00 0.09 -2.27 0.00 0.00 179.45 177.29 3hib n ASN 1878N -4.86 0.00 0.00 4.20 3.02 -0.60 -1.21 115.26 115.82 3hib n ASN 1878Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hib n ASN 1878Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3hib n ASN 1878CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3hib n LEU 1880N 0.58 0.00 0.02 3.41 7.94 -0.49 -0.32 117.00 128.14 3hib n LEU 1880Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3hib n LEU 1880Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3hib n LEU 1880CO 0.00 0.00 0.84 0.22 -1.11 0.00 0.00 177.39 177.34 3hib h TYR 1881N 0.00 0.04 -0.16 1.96 3.20 -1.43 -0.86 116.97 119.73 3hib h TYR 1881Ca 0.00 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3hib h TYR 1881Cb 0.00 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3hib h TYR 1881CO 0.00 0.10 -0.14 0.28 -1.64 0.00 0.00 178.16 176.76 3hib h VAL 1882N -0.03 0.61 -0.78 1.81 2.07 -0.92 -1.01 116.25 118.00 3hib h VAL 1882Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 3hib h VAL 1882Cb 0.08 0.61 -0.10 0.00 -1.52 0.00 0.00 31.29 30.36 3hib h VAL 1882CO -0.00 0.00 0.32 0.25 0.02 0.00 0.00 177.57 178.16 3hib h LEU 1883N -0.16 0.31 -2.03 2.57 5.85 -1.76 -0.16 115.31 119.94 3hib h LEU 1883Ca 0.10 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hib h LEU 1883Cb 0.31 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3hib h LEU 1883CO -0.25 0.11 0.00 0.77 -0.34 0.00 0.00 178.44 178.73 3hib h SER 1884N 0.46 0.00 0.39 1.25 4.64 0.22 -2.53 113.55 117.98 3hib h SER 1884Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3hib h SER 1884Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3hib h SER 1884CO -0.41 0.00 -0.20 0.35 -0.87 0.00 0.00 176.83 175.70 3hib n THR 1885N -2.69 0.00 -1.66 2.95 -2.24 -0.07 -4.23 114.28 106.34 3hib n THR 1885Ca -0.02 -0.07 -0.48 0.00 -2.27 0.00 0.00 64.05 61.21 3hib n THR 1885Cb 0.10 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.35 3hib n THR 1885CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hib n ALA 1886N -0.98 0.76 0.20 6.98 0.00 -0.95 -4.83 120.51 121.68 3hib n ALA 1886Ca 0.12 0.42 0.16 0.00 0.00 0.00 0.00 53.44 54.14 3hib n ALA 1886Cb 0.31 -2.33 0.80 0.00 0.00 0.00 0.00 19.45 18.23 3hib n ALA 1886CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3hib h VAL 1887N 4.06 0.57 -0.62 0.00 3.04 -1.92 -1.19 116.25 120.19 3hib h VAL 1887Ca -0.46 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.40 3hib h VAL 1887Cb 1.28 0.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.39 3hib h VAL 1887CO 0.89 0.00 0.45 -0.33 -1.01 0.00 0.00 177.57 177.56 3hib h GLU 1888N 0.00 0.04 0.00 4.17 3.07 -1.98 -0.39 114.58 119.49 3hib h GLU 1888Ca 0.09 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3hib h GLU 1888Cb 0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3hib h GLU 1888CO -0.00 0.02 0.00 1.19 -1.40 0.00 0.00 179.01 178.82 3hib n PHE 1889N -4.37 0.00 0.65 4.33 3.72 -0.45 -3.44 117.46 117.90 3hib n PHE 1889Ca 0.12 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.57 3hib n PHE 1889Cb 0.67 -0.40 0.31 0.00 -0.94 0.00 0.00 39.48 39.13 3hib n PHE 1889CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hib n GLU 1890N -1.40 0.30 0.00 -1.08 1.02 -0.16 -0.27 120.64 119.06 3hib n GLU 1890Ca 0.08 0.04 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 3hib n GLU 1890Cb 0.21 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.48 3hib n GLU 1890CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3hib n SER 1891N -1.06 0.89 -4.73 1.62 3.41 -1.22 -4.84 113.62 107.69 3hib n SER 1891Ca 0.08 -0.73 -0.41 0.00 -0.26 0.00 0.00 58.87 57.55 3hib n SER 1891Cb 0.05 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 3hib n SER 1891CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hib s VAL 1892N -2.62 4.80 0.39 -3.33 1.01 0.63 -5.01 120.40 116.26 3hib s VAL 1892Ca 0.21 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.70 3hib s VAL 1892Cb 0.19 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 3hib s VAL 1892CO 0.56 0.28 1.44 -2.84 0.00 0.00 0.00 175.10 174.54 3hib s PRO 1893N 0.43 4.06 -0.26 2.72 0.02 -1.26 -5.01 135.00 135.69 3hib s PRO 1893Ca 0.43 2.46 0.01 0.00 0.02 0.00 0.00 61.00 63.92 3hib s PRO 1893Cb -0.21 -2.91 0.07 0.00 0.02 0.00 0.00 34.50 31.48 3hib s PRO 1893CO 0.24 -0.53 -0.00 -1.17 -0.33 0.00 0.00 177.00 175.21 3hib s LEU 1894N -2.19 2.67 0.24 -5.54 2.96 -1.26 -5.05 118.68 110.51 3hib s LEU 1894Ca 0.54 -1.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.15 3hib s LEU 1894Cb -0.44 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3hib s LEU 1894CO 0.59 -0.29 0.24 -0.13 -1.32 0.00 0.00 176.35 175.44 3hib s ARG 1895N 1.41 3.09 0.23 1.98 0.52 -1.26 -5.04 118.95 119.88 3hib s ARG 1895Ca -0.00 -0.94 -0.31 0.00 -0.52 0.00 0.00 55.73 53.95 3hib s ARG 1895Cb -0.18 -2.67 -0.12 0.00 0.52 0.00 0.00 34.95 32.49 3hib s ARG 1895CO -0.10 0.42 1.69 0.21 0.02 0.00 0.00 175.30 177.54 3hib s LYS 1896N -3.81 4.12 0.00 3.54 2.20 -1.26 -1.31 119.74 123.23 3hib s LYS 1896Ca 0.33 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 3hib s LYS 1896Cb -0.08 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3hib s LYS 1896CO 0.26 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 3hib n GLY 1897N 3.55 2.84 0.17 5.54 0.00 -1.26 -4.94 105.19 111.09 3hib n GLY 1897Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3hib n GLY 1897CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hib h ASP 1898N 0.00 0.44 -0.36 1.61 3.32 -1.61 -2.85 116.42 116.99 3hib h ASP 1898Ca 0.00 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.03 3hib h ASP 1898Cb 0.00 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.37 3hib h ASP 1898CO 0.00 0.40 -0.06 -0.09 -1.72 0.00 0.00 179.24 177.78 3hib h ARG 1899N 0.45 0.03 -0.99 3.56 2.43 -1.91 0.12 114.38 118.07 3hib h ARG 1899Ca 0.13 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 3hib h ARG 1899Cb 0.06 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3hib h ARG 1899CO -0.02 0.02 0.64 0.00 -1.51 0.00 0.00 179.97 179.10 3hib h ALA 1900N 1.34 1.37 -0.37 2.80 0.00 -1.94 0.15 119.26 122.61 3hib h ALA 1900Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3hib h ALA 1900Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hib h ALA 1900CO -0.34 0.42 -0.11 -0.07 0.00 0.00 0.00 179.25 179.15 3hib h LEU 1901N 1.15 0.73 -1.08 0.00 3.38 -1.06 -2.97 115.31 115.46 3hib h LEU 1901Ca 0.43 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3hib h LEU 1901Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3hib h LEU 1901CO -0.18 0.94 -0.16 -0.07 0.09 0.00 0.00 178.44 179.06 3hib h LEU 1902N 0.52 0.45 -0.83 1.67 3.38 0.17 -1.47 115.31 119.20 3hib h LEU 1902Ca 0.09 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hib h LEU 1902Cb 0.62 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3hib h LEU 1902CO 0.04 0.63 0.33 0.58 0.09 0.00 0.00 178.44 180.12 3hib h VAL 1903N 0.43 1.26 -0.20 1.22 2.07 -0.66 0.15 116.25 120.51 3hib h VAL 1903Ca 0.08 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3hib h VAL 1903Cb 0.53 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hib h VAL 1903CO 0.03 0.33 0.04 0.11 0.02 0.00 0.00 177.57 178.11 3hib h LYS 1904N 1.16 0.33 -0.87 1.57 1.57 -1.32 -2.84 116.57 116.17 3hib h LYS 1904Ca 0.27 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 3hib h LYS 1904Cb 0.20 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 3hib h LYS 1904CO -0.02 0.46 0.57 1.25 -0.57 0.00 0.00 179.45 181.14 3hib h LEU 1905N 0.14 0.88 -2.68 2.94 5.85 -0.89 -2.05 115.31 119.49 3hib h LEU 1905Ca 0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hib h LEU 1905Cb 0.29 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3hib h LEU 1905CO 0.00 0.57 -0.01 0.77 -0.34 0.00 0.00 178.44 179.44 3hib h SER 1906N 1.00 0.00 1.07 1.25 4.64 -0.72 -0.40 113.55 120.40 3hib h SER 1906Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hib h SER 1906Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3hib h SER 1906CO -0.13 0.01 0.00 0.11 -0.87 0.00 0.00 176.83 175.95 3hib h LYS 1907N 0.00 0.00 -0.05 4.77 1.79 -1.39 -2.96 116.57 118.73 3hib h LYS 1907Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hib h LYS 1907Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3hib h LYS 1907CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.91 3hib n ARG 1908N -2.58 1.61 -4.57 3.15 1.74 -0.16 -4.97 116.66 110.88 3hib n ARG 1908Ca 0.02 -1.63 -0.33 0.00 -0.77 0.00 0.00 57.85 55.14 3hib n ARG 1908Cb 0.32 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 3hib n ARG 1908CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hib s LEU 1909N -1.52 3.12 0.28 0.55 1.43 -1.12 -5.06 118.68 116.37 3hib s LEU 1909Ca 0.22 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3hib s LEU 1909Cb 0.16 -1.74 0.41 0.00 0.03 0.00 0.00 46.19 45.05 3hib s LEU 1909CO 0.23 0.32 1.88 1.55 0.23 0.00 0.00 176.35 180.57 3hib h PRO 1910N 4.90 0.96 -5.23 1.29 0.13 -1.93 -3.44 132.00 128.68 3hib h PRO 1910Ca -0.48 -0.13 -0.61 0.00 -0.87 0.00 0.00 66.00 63.91 3hib h PRO 1910Cb 1.17 -0.18 -0.13 0.00 0.13 0.00 0.00 31.00 31.99 3hib h PRO 1910CO 0.53 0.75 -0.51 -0.51 -0.23 0.00 0.00 178.00 178.03 3hib s LEU 1911N -9.62 4.11 0.17 1.56 1.43 -1.26 -5.08 118.68 110.00 3hib s LEU 1911Ca -0.11 0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 3hib s LEU 1911Cb 0.16 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 3hib s LEU 1911CO 0.80 0.15 0.77 -0.13 0.23 0.00 0.00 176.35 178.17 3hib s ARG 1912N 0.51 4.54 0.32 1.70 0.52 -1.26 -5.03 118.95 120.25 3hib s ARG 1912Ca 0.07 1.13 -0.28 0.00 -0.52 0.00 0.00 55.73 56.13 3hib s ARG 1912Cb -0.12 -3.23 -0.10 0.00 0.52 0.00 0.00 34.95 32.03 3hib s ARG 1912CO -0.00 0.56 1.17 0.12 0.02 0.00 0.00 175.30 177.17 3hib s PHE 1913N -1.18 3.31 -0.39 -0.53 5.36 -1.26 -4.85 117.98 118.44 3hib s PHE 1913Ca 0.36 1.58 -0.39 0.00 -0.96 0.00 0.00 56.93 57.53 3hib s PHE 1913Cb -0.23 -3.42 -0.14 0.00 -0.34 0.00 0.00 43.02 38.89 3hib s PHE 1913CO 0.26 -1.10 2.12 -2.30 -1.46 0.00 0.00 175.22 172.74 3hib n PRO 1914N 0.81 0.75 -0.37 10.12 -0.02 -1.26 -4.82 135.00 140.21 3hib n PRO 1914Ca 0.00 0.21 -0.07 0.00 -2.02 0.00 0.00 63.50 61.62 3hib n PRO 1914Cb 0.44 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3hib n PRO 1914CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hib n GLU 1915N 7.67 -0.35 -0.52 -0.52 1.02 -1.26 -1.48 120.64 125.20 3hib n GLU 1915Ca 0.44 1.39 -0.10 0.00 -0.02 0.00 0.00 57.16 58.87 3hib n GLU 1915Cb 0.13 -2.05 0.07 0.00 -0.02 0.00 0.00 31.44 29.58 3hib n GLU 1915CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hib n HIS 1916N -5.20 1.24 -5.04 -0.32 8.25 -1.26 -4.80 115.22 108.09 3hib n HIS 1916Ca 0.04 -1.11 -0.32 0.00 -0.26 0.00 0.00 57.72 56.07 3hib n HIS 1916Cb 0.28 -0.56 -0.15 0.00 1.12 0.00 0.00 29.99 30.68 3hib n HIS 1916CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hib s THR 1917N -1.38 2.64 0.25 1.59 2.01 -0.55 -5.09 115.64 115.13 3hib s THR 1917Ca 0.23 -0.87 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 3hib s THR 1917Cb 0.19 -2.01 -0.12 0.00 0.01 0.00 0.00 72.50 70.57 3hib s THR 1917CO 0.04 0.58 1.55 -0.24 -0.69 0.00 0.00 174.62 175.86 3hib n SER 1918N 2.59 3.45 -1.45 3.53 2.88 -1.26 -4.89 113.62 118.48 3hib n SER 1918Ca -0.17 1.13 0.10 0.00 -1.33 0.00 0.00 58.87 58.60 3hib n SER 1918Cb 0.52 -1.52 0.33 0.00 -0.75 0.00 0.00 64.21 62.79 3hib n SER 1918CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hib n SER 1919N 2.48 4.24 -1.38 -3.46 3.41 -1.26 -4.18 113.62 113.47 3hib n SER 1919Ca 0.11 -2.22 0.08 0.00 -0.26 0.00 0.00 58.87 56.58 3hib n SER 1919Cb 0.34 -0.53 0.30 0.00 -0.26 0.00 0.00 64.21 64.06 3hib n SER 1919CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hib n GLY 1920N 1.39 2.28 3.99 5.00 0.00 -1.26 -4.77 105.19 111.82 3hib n GLY 1920Ca 0.25 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 3hib n GLY 1920CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hib s SER 1921N -0.81 5.98 0.45 1.61 1.04 -1.26 -4.99 113.70 115.73 3hib s SER 1921Ca 0.42 -0.18 0.25 0.00 0.48 0.00 0.00 55.95 56.93 3hib s SER 1921Cb 0.28 -1.27 0.90 0.00 0.10 0.00 0.00 66.02 66.03 3hib s SER 1921CO 0.20 -0.40 1.81 1.62 0.98 0.00 0.00 173.24 177.45 3hib h VAL 1922N 0.92 0.44 -0.96 5.02 3.04 -1.94 -2.81 116.25 119.96 3hib h VAL 1922Ca -0.46 -1.08 0.09 0.00 -1.01 0.00 0.00 66.70 64.24 3hib h VAL 1922Cb 1.25 1.78 -0.07 0.00 -2.01 0.00 0.00 31.29 32.24 3hib h VAL 1922CO 0.53 0.18 0.60 -1.28 -1.01 0.00 0.00 177.57 176.60 3hib h SER 1923N 0.00 0.92 -0.61 3.17 0.87 -1.95 -0.06 113.55 115.89 3hib h SER 1923Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3hib h SER 1923Cb 0.77 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3hib h SER 1923CO 0.02 0.54 0.38 0.15 -0.53 0.00 0.00 176.83 177.40 3hib h PHE 1924N 1.02 0.79 -0.26 2.24 3.57 -1.79 0.11 116.94 122.61 3hib h PHE 1924Ca 0.45 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.92 3hib h PHE 1924Cb 0.32 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3hib h PHE 1924CO -0.02 0.52 0.02 -0.22 -2.23 0.00 0.00 178.31 176.38 3hib h LYS 1925N 0.82 0.45 -0.28 1.11 3.64 -1.24 -2.44 116.57 118.64 3hib h LYS 1925Ca 0.22 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3hib h LYS 1925Cb -0.05 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3hib h LYS 1925CO -0.04 0.60 0.11 0.28 -2.27 0.00 0.00 179.45 178.12 3hib h VAL 1926N 0.25 1.18 -0.21 2.00 2.07 -0.85 0.19 116.25 120.89 3hib h VAL 1926Ca 0.08 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.06 3hib h VAL 1926Cb 0.38 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3hib h VAL 1926CO 0.01 0.19 -0.01 0.15 0.02 0.00 0.00 177.57 177.93 3hib h PHE 1927N 0.31 -0.04 -0.13 1.57 3.57 -0.97 -2.15 116.94 119.09 3hib h PHE 1927Ca 0.09 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 3hib h PHE 1927Cb 0.20 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3hib h PHE 1927CO -0.00 -0.05 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.55 3hib h LEU 1928N 0.05 0.59 -1.29 0.59 3.38 -1.35 -3.01 115.31 114.26 3hib h LEU 1928Ca 0.10 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 3hib h LEU 1928Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hib h LEU 1928CO -0.18 1.08 -0.23 -0.07 0.09 0.00 0.00 178.44 179.13 3hib h LEU 1929N 0.12 0.18 -0.80 1.67 3.38 -0.95 0.13 115.31 119.03 3hib h LEU 1929Ca -0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3hib h LEU 1929Cb 1.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3hib h LEU 1929CO 0.09 0.43 -0.20 -0.07 0.09 0.00 0.00 178.44 178.77 3hib h LEU 1930N 0.17 0.69 -0.59 1.67 3.38 -1.42 0.39 115.31 119.59 3hib h LEU 1930Ca 0.03 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 3hib h LEU 1930Cb 0.51 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hib h LEU 1930CO 0.04 0.88 -0.50 1.56 0.09 0.00 0.00 178.44 180.50 3hib h GLN 1931N 0.60 0.53 -0.10 1.13 4.20 -1.21 -1.25 115.11 119.02 3hib h GLN 1931Ca 0.09 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 3hib h GLN 1931Cb 0.67 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3hib h GLN 1931CO 0.05 0.91 -0.20 0.00 -0.67 0.00 0.00 178.83 178.92 3hib h ALA 1932N 1.03 1.48 0.16 3.87 0.00 -0.52 0.94 119.26 126.24 3hib h ALA 1932Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hib h ALA 1932Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hib h ALA 1932CO 0.09 0.37 -0.08 -0.92 0.00 0.00 0.00 179.25 178.72 3hib h TYR 1933N 0.15 -0.20 -0.96 0.00 3.20 -0.46 0.58 116.97 119.27 3hib h TYR 1933Ca 0.03 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3hib h TYR 1933Cb 0.45 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 3hib h TYR 1933CO 0.00 0.16 0.64 0.74 -1.64 0.00 0.00 178.16 178.06 3hib h PHE 1934N -0.60 1.20 -0.00 -3.82 0.04 -0.85 -1.60 116.94 111.30 3hib h PHE 1934Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3hib h PHE 1934Cb 0.45 -0.41 0.00 0.00 2.20 0.00 0.00 35.95 38.20 3hib h PHE 1934CO 0.04 0.75 -0.09 0.43 -0.60 0.00 0.00 178.31 178.84 3hib n SER 1935N -4.39 0.27 -3.71 2.17 7.64 0.29 -3.69 113.62 112.20 3hib n SER 1935Ca 0.11 -0.28 -0.25 0.00 1.01 0.00 0.00 58.87 59.47 3hib n SER 1935Cb 0.02 -0.17 0.05 0.00 -1.01 0.00 0.00 64.21 63.11 3hib n SER 1935CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hib n ARG 1936N -1.17 -6.49 -2.49 1.43 1.74 0.02 -4.98 116.66 104.71 3hib n ARG 1936Ca 0.13 0.72 -0.32 0.00 -0.77 0.00 0.00 57.85 57.60 3hib n ARG 1936Cb 0.28 -5.64 -0.04 0.00 -1.02 0.00 0.00 32.46 26.04 3hib n ARG 1936CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hib s LEU 1937N -7.10 3.69 0.30 0.55 1.43 -0.17 -5.02 118.68 112.35 3hib s LEU 1937Ca 0.46 1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 54.85 3hib s LEU 1937Cb -0.22 -4.49 -0.09 0.00 0.03 0.00 0.00 46.19 41.42 3hib s LEU 1937CO 0.78 -0.54 1.07 -0.70 0.23 0.00 0.00 176.35 177.19 3hib s GLU 1938N -3.90 4.59 0.09 1.70 2.56 -1.26 -4.85 118.70 117.63 3hib s GLU 1938Ca 0.59 1.72 0.05 0.00 0.00 0.00 0.00 54.97 57.33 3hib s GLU 1938Cb -0.10 -3.09 -0.03 0.00 2.00 0.00 0.00 34.13 32.91 3hib s GLU 1938CO 0.28 0.19 -0.13 -0.51 -0.56 0.00 0.00 175.26 174.53 3hib s LEU 1939N -1.62 2.35 0.83 2.70 1.43 -1.26 -5.14 118.68 117.97 3hib s LEU 1939Ca 0.46 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3hib s LEU 1939Cb -0.30 -0.47 0.09 0.00 0.03 0.00 0.00 46.19 45.55 3hib s LEU 1939CO 0.38 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.74 3hib s PRO 1940N -2.29 1.76 0.25 1.29 0.04 -1.26 -4.72 135.00 130.07 3hib s PRO 1940Ca 0.03 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 61.97 3hib s PRO 1940Cb -0.07 -1.86 0.40 0.00 0.04 0.00 0.00 34.50 33.01 3hib s PRO 1940CO 0.02 -1.93 1.82 -0.24 0.04 0.00 0.00 177.00 176.72 3hib h VAL 1941N -1.32 0.94 -0.59 -0.36 3.04 -2.00 -0.97 116.25 114.98 3hib h VAL 1941Ca -0.47 -0.29 -0.02 0.00 -1.01 0.00 0.00 66.70 64.91 3hib h VAL 1941Cb 1.26 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 3hib h VAL 1941CO 0.54 0.16 0.29 0.44 -1.01 0.00 0.00 177.57 177.98 3hib h ASP 1942N 0.85 0.74 0.28 3.17 3.32 -1.99 0.73 116.42 123.51 3hib h ASP 1942Ca 0.40 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 57.21 3hib h ASP 1942Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3hib h ASP 1942CO -0.23 0.62 -0.70 -0.26 -1.72 0.00 0.00 179.24 176.95 3hib h PHE 1943N 0.82 0.50 -0.45 4.55 0.04 -1.72 -1.14 116.94 119.55 3hib h PHE 1943Ca 0.21 -0.22 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3hib h PHE 1943Cb 0.07 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3hib h PHE 1943CO 0.01 0.96 0.24 1.96 -0.60 0.00 0.00 178.31 180.88 3hib h GLN 1944N 0.26 0.47 -0.54 1.51 4.20 -0.28 0.54 115.11 121.28 3hib h GLN 1944Ca -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3hib h GLN 1944Cb 1.27 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.92 3hib h GLN 1944CO 0.12 0.31 0.23 -0.91 -0.67 0.00 0.00 178.83 177.91 3hib h ASN 1945N 0.48 0.73 -0.58 1.46 2.35 -0.67 -2.18 115.58 117.17 3hib h ASN 1945Ca 0.19 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3hib h ASN 1945Cb 0.07 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3hib h ASN 1945CO -0.12 0.68 0.21 0.44 -1.65 0.00 0.00 177.43 177.00 3hib h ASP 1946N 0.72 0.81 -0.82 5.81 3.32 -0.55 -2.38 116.42 123.34 3hib h ASP 1946Ca 0.18 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3hib h ASP 1946Cb 0.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3hib h ASP 1946CO -0.02 0.78 0.54 0.25 -1.72 0.00 0.00 179.24 179.07 3hib h LEU 1947N 0.80 0.92 -0.60 1.55 5.85 0.29 0.79 115.31 124.91 3hib h LEU 1947Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hib h LEU 1947Cb 0.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3hib h LEU 1947CO -0.01 0.65 0.38 0.50 -0.34 0.00 0.00 178.44 179.62 3hib h LYS 1948N 1.08 0.80 -0.70 1.25 3.64 -1.20 0.12 116.57 121.56 3hib h LYS 1948Ca 0.31 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3hib h LYS 1948Cb -0.08 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 3hib h LYS 1948CO -0.08 0.55 0.29 -0.44 -2.27 0.00 0.00 179.45 177.49 3hib h ASP 1949N 0.81 0.95 -0.32 4.20 3.32 -0.83 -1.90 116.42 122.65 3hib h ASP 1949Ca 0.22 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3hib h ASP 1949Cb -0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3hib h ASP 1949CO -0.04 0.84 0.00 0.40 -1.72 0.00 0.00 179.24 178.72 3hib h ILE 1950N 1.02 1.26 0.00 0.35 2.04 -0.14 -2.94 117.51 119.10 3hib h ILE 1950Ca 0.24 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3hib h ILE 1950Cb 0.18 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3hib h ILE 1950CO -0.02 0.31 -0.15 -0.07 0.00 0.00 0.00 178.15 178.22 3hib h LEU 1951N 0.36 0.00 -2.09 1.44 3.38 -0.53 -1.96 115.31 115.90 3hib h LEU 1951Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hib h LEU 1951Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hib h LEU 1951CO 0.02 0.15 -0.06 -0.08 0.09 0.00 0.00 178.44 178.55 3hib h GLU 1952N 0.00 0.00 0.00 1.13 4.81 -1.16 -3.11 114.58 116.25 3hib h GLU 1952Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hib h GLU 1952Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3hib h GLU 1952CO 0.02 0.06 -1.08 1.63 -0.73 0.00 0.00 179.01 178.92 3hib n LYS 1953N -3.42 1.56 -0.13 1.92 5.02 -0.76 -4.62 118.16 117.72 3hib n LYS 1953Ca -0.02 -0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.20 3hib n LYS 1953Cb 0.21 -1.24 0.21 0.00 -0.02 0.00 0.00 35.03 34.18 3hib n LYS 1953CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3hib h VAL 1954N 0.00 1.22 -0.27 -0.18 -1.51 -1.42 -3.30 116.25 110.78 3hib h VAL 1954Ca 0.00 -0.76 0.04 0.00 -1.23 0.00 0.00 66.70 64.75 3hib h VAL 1954Cb 0.47 0.64 -0.04 0.00 -2.13 0.00 0.00 31.29 30.23 3hib h VAL 1954CO 0.00 0.29 0.03 0.58 -1.23 0.00 0.00 177.57 177.24 3hib h VAL 1955N 0.80 0.84 -0.87 7.19 2.07 -1.85 0.30 116.25 124.73 3hib h VAL 1955Ca 0.18 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 3hib h VAL 1955Cb 0.25 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3hib h VAL 1955CO -0.01 0.02 0.44 -0.65 0.02 0.00 0.00 177.57 177.40 3hib h PRO 1956N 0.13 1.23 -0.24 1.57 0.11 -1.92 -2.55 132.00 130.33 3hib h PRO 1956Ca 0.13 -0.16 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3hib h PRO 1956Cb 0.15 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3hib h PRO 1956CO -0.19 0.92 0.02 -0.07 -0.21 0.00 0.00 178.00 178.47 3hib h LEU 1957N 1.22 0.39 -1.28 2.35 3.38 -1.51 -2.19 115.31 117.67 3hib h LEU 1957Ca 0.30 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3hib h LEU 1957Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3hib h LEU 1957CO -0.04 0.58 -0.30 -0.29 0.09 0.00 0.00 178.44 178.47 3hib h ILE 1958N 0.19 1.24 -0.01 1.22 6.09 -0.88 -1.90 117.51 123.45 3hib h ILE 1958Ca 0.07 -1.13 -0.12 0.00 -1.37 0.00 0.00 64.86 62.31 3hib h ILE 1958Cb 0.37 1.54 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 3hib h ILE 1958CO 0.01 0.33 -0.54 0.78 -3.07 0.00 0.00 178.15 175.66 3hib h ASN 1959N 0.08 0.03 -0.42 2.19 4.21 -1.32 -1.35 115.58 119.00 3hib h ASN 1959Ca 0.01 -0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 3hib h ASN 1959Cb 0.58 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 3hib h ASN 1959CO 0.04 0.56 -0.22 0.58 -1.29 0.00 0.00 177.43 177.10 3hib h VAL 1960N 0.02 1.27 -0.18 2.81 2.07 -0.73 0.32 116.25 121.84 3hib h VAL 1960Ca -0.00 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 3hib h VAL 1960Cb 0.96 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3hib h VAL 1960CO 0.07 0.47 0.11 0.58 0.02 0.00 0.00 177.57 178.82 3hib h VAL 1961N 0.81 1.07 -0.41 2.57 2.07 -0.99 0.56 116.25 121.92 3hib h VAL 1961Ca 0.10 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3hib h VAL 1961Cb 0.79 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3hib h VAL 1961CO 0.07 0.07 0.18 0.58 0.02 0.00 0.00 177.57 178.48 3hib h VAL 1962N 0.21 0.93 -0.35 2.57 2.07 -1.05 -2.07 116.25 118.56 3hib h VAL 1962Ca 0.06 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hib h VAL 1962Cb 0.01 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hib h VAL 1962CO -0.01 0.07 0.19 0.44 0.02 0.00 0.00 177.57 178.28 3hib h ASP 1963N 0.36 0.43 -0.09 0.57 3.32 -0.47 -1.15 116.42 119.40 3hib h ASP 1963Ca 0.18 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3hib h ASP 1963Cb 0.13 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3hib h ASP 1963CO -0.16 0.39 0.02 0.40 -1.72 0.00 0.00 179.24 178.17 3hib h ILE 1964N 0.44 0.97 -0.71 0.35 2.04 -0.70 0.33 117.51 120.23 3hib h ILE 1964Ca 0.12 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3hib h ILE 1964Cb 0.05 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3hib h ILE 1964CO -0.02 0.01 0.23 -0.07 0.00 0.00 0.00 178.15 178.30 3hib h LEU 1965N 0.06 1.01 -0.13 1.44 3.38 -1.30 -2.88 115.31 116.90 3hib h LEU 1965Ca 0.04 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 3hib h LEU 1965Cb 0.03 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.52 3hib h LEU 1965CO -0.05 0.94 -0.70 0.77 0.09 0.00 0.00 178.44 179.49 3hib h SER 1966N 1.05 0.83 0.19 -0.43 4.64 -0.93 0.66 113.55 119.56 3hib h SER 1966Ca 0.23 -0.64 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3hib h SER 1966Cb 0.28 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hib h SER 1966CO -0.01 1.34 -0.00 0.00 -0.87 0.00 0.00 176.83 177.29 3hib h ALA 1967N 0.51 1.03 -0.02 5.18 0.00 -0.29 0.21 119.26 125.88 3hib h ALA 1967Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hib h ALA 1967Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3hib h ALA 1967CO 0.14 0.00 -0.06 0.09 0.00 0.00 0.00 179.25 179.43 3hib n ASN 1968N -3.13 2.26 -0.76 0.00 4.13 -1.09 -4.95 115.26 111.73 3hib n ASN 1968Ca -0.02 -1.71 -0.08 0.00 1.68 0.00 0.00 54.58 54.44 3hib n ASN 1968Cb 0.12 0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.39 3hib n ASN 1968CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hib n GLY 1969N 1.30 0.61 3.71 7.41 0.00 0.73 -4.96 105.19 113.99 3hib n GLY 1969Ca 0.15 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 3hib n GLY 1969CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hib s TYR 1970N -2.35 3.49 -0.58 1.61 2.02 0.21 -0.64 117.35 121.11 3hib s TYR 1970Ca 0.00 0.93 0.25 0.00 -0.37 0.00 0.00 57.07 57.88 3hib s TYR 1970Cb 0.00 -2.64 0.91 0.00 -0.40 0.00 0.00 41.96 39.83 3hib s TYR 1970CO 0.00 0.08 1.75 -0.11 -1.57 0.00 0.00 175.55 175.70 3hib n LEU 1971N 4.00 0.77 0.00 -1.29 7.94 -0.89 -2.63 117.00 124.90 3hib n LEU 1971Ca -0.05 0.63 0.03 0.00 -1.11 0.00 0.00 56.01 55.51 3hib n LEU 1971Cb 0.51 -0.46 0.16 0.00 0.53 0.00 0.00 43.42 44.16 3hib n LEU 1971CO 0.44 -0.40 0.36 -0.46 -1.11 0.00 0.00 177.39 176.22 3hib n ASN 1972N -2.29 0.00 0.25 1.96 6.94 -1.26 -1.43 115.26 119.44 3hib n ASN 1972Ca 0.04 -0.60 0.10 0.00 -0.02 0.00 0.00 54.58 54.09 3hib n ASN 1972Cb 0.33 0.00 0.68 0.00 -2.36 0.00 0.00 39.78 38.42 3hib n ASN 1972CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hib h ALA 1973N 2.20 1.49 0.00 -2.53 0.00 -1.82 -0.97 119.26 117.63 3hib h ALA 1973Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hib h ALA 1973Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hib h ALA 1973CO 0.00 0.15 -0.30 1.79 0.00 0.00 0.00 179.25 180.89 3hib h THR 1974N 0.00 0.83 -0.01 0.00 1.35 -1.53 -2.51 112.91 111.03 3hib h THR 1974Ca -0.00 -1.22 -0.18 0.00 -0.55 0.00 0.00 66.41 64.47 3hib h THR 1974Cb 0.26 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3hib h THR 1974CO 0.02 0.29 -0.79 0.74 -0.25 0.00 0.00 175.52 175.53 3hib h THR 1975N 0.00 1.48 0.00 6.82 2.02 -1.39 -2.17 112.91 119.67 3hib h THR 1975Ca -0.00 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 64.72 3hib h THR 1975Cb 0.72 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3hib h THR 1975CO 0.04 0.71 0.00 0.00 0.37 0.00 0.00 175.52 176.64 3hib n ALA 1976N -2.45 1.98 0.00 6.16 0.00 -0.95 -1.97 120.51 123.28 3hib n ALA 1976Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3hib n ALA 1976Cb 0.75 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3hib n ALA 1976CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hib n ASP 1978N 0.91 0.00 -0.34 0.00 2.03 -0.82 -0.70 116.55 117.64 3hib n ASP 1978Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 3hib n ASP 1978Cb 0.21 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.70 3hib n ASP 1978CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3hib h LEU 1979N 0.00 1.13 -0.75 -2.67 5.85 -1.69 -2.05 115.31 115.13 3hib h LEU 1979Ca 0.00 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3hib h LEU 1979Cb 0.00 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 3hib h LEU 1979CO 0.00 0.89 0.44 0.00 -0.34 0.00 0.00 178.44 179.43 3hib h ALA 1980N 1.29 1.02 0.00 1.25 0.00 -1.19 -0.61 119.26 121.01 3hib h ALA 1980Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hib h ALA 1980Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hib h ALA 1980CO -0.06 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.37 3hib n GLN 1981N -4.72 0.32 0.00 0.00 6.02 -0.77 -2.77 117.38 115.45 3hib n GLN 1981Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3hib n GLN 1981Cb 0.18 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3hib n GLN 1981CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hib n LEU 1983N 0.75 0.00 0.05 1.08 4.77 -0.24 -1.68 117.00 121.73 3hib n LEU 1983Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 3hib n LEU 1983Cb 0.14 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 3hib n LEU 1983CO 0.00 0.00 -0.47 0.40 -1.33 0.00 0.00 177.39 175.99 3hib h ILE 1984N 0.00 1.00 -0.00 -0.08 1.08 -1.79 -3.39 117.51 114.33 3hib h ILE 1984Ca 0.00 -2.65 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 3hib h ILE 1984Cb 0.00 2.70 0.00 0.00 -3.07 0.00 0.00 36.82 36.45 3hib h ILE 1984CO 0.00 0.81 -0.89 0.00 -0.69 0.00 0.00 178.15 177.38 3hib n GLN 1985N -3.46 0.06 -3.05 2.37 1.13 -0.67 -3.74 117.38 110.01 3hib n GLN 1985Ca -0.21 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.68 3hib n GLN 1985Cb 1.05 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.97 3hib n GLN 1985CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hib n GLY 1986N 1.49 -0.20 3.52 1.08 0.00 -1.26 -4.53 105.19 105.29 3hib n GLY 1986Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hib n GLY 1986CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hib s VAL 1987N -3.27 0.02 0.34 1.61 -7.23 -1.25 -4.54 120.40 106.08 3hib s VAL 1987Ca 0.03 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 3hib s VAL 1987Cb -0.00 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 3hib s VAL 1987CO 0.55 -0.09 0.61 0.26 -0.31 0.00 0.00 175.10 176.12 3hib s TRP 1988N -3.98 3.49 0.54 2.82 0.52 -1.24 -4.75 118.94 116.34 3hib s TRP 1988Ca 0.19 0.68 0.22 0.00 0.02 0.00 0.00 56.10 57.21 3hib s TRP 1988Cb 0.00 -2.15 1.51 0.00 -1.15 0.00 0.00 33.47 31.68 3hib s TRP 1988CO 0.04 0.07 2.19 0.38 0.02 0.00 0.00 176.95 179.65 3hib h ASP 1989N 1.32 0.00 0.07 2.95 2.03 -1.98 -0.78 116.42 120.03 3hib h ASP 1989Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3hib h ASP 1989Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3hib h ASP 1989CO 0.65 0.01 -0.05 1.33 -1.03 0.00 0.00 179.24 180.15 3hib n VAL 1990N -4.19 0.00 -1.24 4.15 0.24 -1.26 -4.92 118.33 111.11 3hib n VAL 1990Ca -0.03 -0.17 -0.31 0.00 -2.04 0.00 0.00 64.34 61.79 3hib n VAL 1990Cb 0.10 0.26 0.10 0.00 -1.47 0.00 0.00 33.84 32.83 3hib n VAL 1990CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3hib s ASP 1991N -2.13 4.42 0.12 -1.34 1.01 -0.30 -4.93 116.67 113.52 3hib s ASP 1991Ca 0.36 1.82 -0.31 0.00 0.71 0.00 0.00 52.55 55.14 3hib s ASP 1991Cb 0.21 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.53 3hib s ASP 1991CO 0.38 -2.09 1.85 0.21 0.21 0.00 0.00 175.17 175.73 3hib s ASN 1992N -3.38 6.42 0.58 0.27 3.84 -1.26 -4.85 114.94 116.56 3hib s ASN 1992Ca 0.61 2.76 0.28 0.00 0.21 0.00 0.00 52.86 56.72 3hib s ASN 1992Cb -0.17 -2.56 1.58 0.00 -0.55 0.00 0.00 41.25 39.54 3hib s ASN 1992CO 0.56 -1.01 2.05 -0.65 -2.79 0.00 0.00 177.10 175.26 3hib h PRO 1993N 8.77 0.00 0.00 0.43 0.11 -1.92 -0.60 132.00 138.79 3hib h PRO 1993Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hib h PRO 1993Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hib h PRO 1993CO 0.95 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.67 3hib h LEU 1994N 0.00 0.00 -2.25 2.35 3.38 -1.89 -3.13 115.31 113.77 3hib h LEU 1994Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hib h LEU 1994Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hib h LEU 1994CO -0.00 0.00 -0.00 -0.09 0.09 0.00 0.00 178.44 178.44 3hib h ARG 1995N 0.00 0.00 0.00 1.13 2.43 -1.41 -1.15 114.38 115.38 3hib h ARG 1995Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hib h ARG 1995Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3hib h ARG 1995CO 0.00 0.00 0.00 -0.56 -1.51 0.00 0.00 179.97 177.90 3hib h GLN 1996N 0.00 0.00 -6.50 0.20 3.07 -1.74 -3.44 115.11 106.71 3hib h GLN 1996Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 3hib h GLN 1996Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.58 3hib h GLN 1996CO 0.00 0.00 0.77 0.42 0.09 0.00 0.00 178.83 180.11 3hib s ILE 1997N -3.46 3.38 0.29 1.86 1.01 -0.44 -4.72 121.20 119.11 3hib s ILE 1997Ca 0.04 0.94 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 3hib s ILE 1997Cb 0.09 -3.60 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 3hib s ILE 1997CO 0.52 0.05 1.22 -0.81 0.00 0.00 0.00 174.94 175.92 3hib n PRO 1998N 4.37 1.80 -1.08 2.79 -0.04 -1.26 -2.18 135.00 139.40 3hib n PRO 1998Ca 0.12 0.63 -0.03 0.00 -0.04 0.00 0.00 63.50 64.19 3hib n PRO 1998Cb 0.42 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 3hib n PRO 1998CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hib n HIS 1999N 0.73 0.00 -2.63 0.54 8.25 -1.26 -4.68 115.22 116.18 3hib n HIS 1999Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 3hib n HIS 1999Cb 0.33 -1.80 -0.00 0.00 1.12 0.00 0.00 29.99 29.64 3hib n HIS 1999CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hib s PHE 2000N -1.44 2.88 1.16 4.41 0.40 -0.93 -4.96 117.98 119.50 3hib s PHE 2000Ca 0.00 -1.70 -0.16 0.00 -0.60 0.00 0.00 56.93 54.47 3hib s PHE 2000Cb 0.00 -4.70 0.26 0.00 0.51 0.00 0.00 43.02 39.09 3hib s PHE 2000CO 0.00 -1.75 1.07 0.54 0.70 0.00 0.00 175.22 175.77 3hib s ASN 2001N 4.04 1.25 0.42 1.36 2.20 -1.26 -4.69 114.94 118.26 3hib s ASN 2001Ca 0.52 0.99 0.10 0.00 -0.94 0.00 0.00 52.86 53.53 3hib s ASN 2001Cb 0.03 -1.49 0.93 0.00 -2.00 0.00 0.00 41.25 38.72 3hib s ASN 2001CO 0.07 -3.96 2.03 0.78 -2.94 0.00 0.00 177.10 173.08 3hib h ASN 2002N -2.46 0.42 0.23 3.54 4.21 -1.99 -1.53 115.58 118.00 3hib h ASN 2002Ca -0.51 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 56.98 3hib h ASN 2002Cb 1.32 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 3hib h ASN 2002CO 0.45 0.29 -0.11 0.11 -1.29 0.00 0.00 177.43 176.88 3hib h LYS 2003N 0.49 -0.30 -0.61 0.81 1.57 -1.99 -0.67 116.57 115.87 3hib h LYS 2003Ca 0.20 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3hib h LYS 2003Cb 0.17 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3hib h LYS 2003CO -0.05 -0.11 0.37 0.82 -0.57 0.00 0.00 179.45 179.91 3hib h ILE 2004N -0.43 1.06 -1.00 1.86 2.04 -1.82 -0.48 117.51 118.74 3hib h ILE 2004Ca -0.03 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3hib h ILE 2004Cb 0.32 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3hib h ILE 2004CO 0.05 0.13 0.65 -0.07 0.00 0.00 0.00 178.15 178.91 3hib h LEU 2005N 0.73 1.04 -0.57 1.44 3.38 -1.11 -1.39 115.31 118.83 3hib h LEU 2005Ca 0.25 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3hib h LEU 2005Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3hib h LEU 2005CO -0.11 0.67 -0.04 -0.08 0.09 0.00 0.00 178.44 178.97 3hib h GLU 2006N 1.18 1.03 -0.91 1.13 4.81 -0.05 -1.96 114.58 119.82 3hib h GLU 2006Ca 0.43 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hib h GLU 2006Cb 0.15 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3hib h GLU 2006CO -0.16 1.04 0.00 0.36 -0.73 0.00 0.00 179.01 179.52 3hib n LYS 2007N -4.19 1.83 -0.04 1.92 2.85 -0.29 -2.01 118.16 118.24 3hib n LYS 2007Ca 0.02 -0.68 -0.04 0.00 -1.05 0.00 0.00 58.31 56.56 3hib n LYS 2007Cb 0.37 -1.66 -0.05 0.00 -0.65 0.00 0.00 35.03 33.04 3hib n LYS 2007CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hib h LYS 2009N 0.00 0.25 -0.65 0.00 3.64 -0.74 0.92 116.57 119.99 3hib h LYS 2009Ca -0.18 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3hib h LYS 2009Cb 1.37 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.12 3hib h LYS 2009CO -0.00 0.54 0.35 0.93 -2.27 0.00 0.00 179.45 179.00 3hib h GLU 2010N -0.07 0.62 -0.00 1.90 5.08 -1.74 -0.24 114.58 120.13 3hib h GLU 2010Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hib h GLU 2010Cb 0.45 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hib h GLU 2010CO 0.01 0.41 -0.02 -0.89 -1.00 0.00 0.00 179.01 177.52 3hib n ILE 2011N -4.82 0.00 -2.18 3.13 5.41 -1.22 -4.93 119.36 114.75 3hib n ILE 2011Ca 0.08 -0.06 -0.11 0.00 1.00 0.00 0.00 62.75 63.66 3hib n ILE 2011Cb 0.19 -0.23 -0.01 0.00 -0.71 0.00 0.00 39.64 38.88 3hib n ILE 2011CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hib n ASN 2012N -0.77 -3.54 -4.59 4.38 5.03 -0.10 -4.99 115.26 110.69 3hib n ASN 2012Ca 0.21 -0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.24 3hib n ASN 2012Cb 0.20 -2.76 -0.06 0.00 -1.02 0.00 0.00 39.78 36.14 3hib n ASN 2012CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hib s VAL 2013N -2.53 4.89 -0.11 2.41 1.01 0.31 -4.93 120.40 121.45 3hib s VAL 2013Ca 0.00 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.80 3hib s VAL 2013Cb 0.00 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 3hib s VAL 2013CO 0.00 -0.25 -0.01 -0.62 0.00 0.00 0.00 175.10 174.23 3hib n GLU 2014N 6.01 1.77 -4.62 2.72 1.02 -1.26 -4.33 120.64 121.94 3hib n GLU 2014Ca -0.01 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 3hib n GLU 2014Cb 0.49 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.54 3hib n GLU 2014CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hib s THR 2015N -2.25 1.87 0.26 2.62 -4.23 -1.26 -4.49 115.64 108.15 3hib s THR 2015Ca -0.09 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.39 3hib s THR 2015Cb 0.03 -2.85 0.19 0.00 1.34 0.00 0.00 72.50 71.21 3hib s THR 2015CO 0.39 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.90 3hib h VAL 2016N 1.68 1.24 -0.87 2.29 2.07 -1.96 -2.05 116.25 118.65 3hib h VAL 2016Ca -0.44 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3hib h VAL 2016Cb 1.25 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3hib h VAL 2016CO 0.79 0.29 0.49 1.88 0.02 0.00 0.00 177.57 181.04 3hib h TYR 2017N 1.07 1.18 -0.53 1.57 0.99 -1.98 -2.40 116.97 116.86 3hib h TYR 2017Ca 0.26 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.98 3hib h TYR 2017Cb 0.13 -0.38 -0.03 0.00 1.00 0.00 0.00 36.73 37.45 3hib h TYR 2017CO 0.01 0.81 0.33 -0.44 -0.00 0.00 0.00 178.16 178.88 3hib h ASP 2018N 1.21 0.55 0.00 3.88 3.32 -1.77 0.86 116.42 124.46 3hib h ASP 2018Ca 0.31 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hib h ASP 2018Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3hib h ASP 2018CO -0.05 0.39 0.00 -0.38 -1.72 0.00 0.00 179.24 177.48 3hib n ILE 2019N -4.76 0.00 0.00 0.35 2.08 -0.91 -1.84 119.36 114.28 3hib n ILE 2019Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 3hib n ILE 2019Cb 0.06 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 3hib n ILE 2019CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hib n ALA 2021N 0.15 0.00 -1.22 -1.39 0.00 0.29 -4.79 120.51 113.56 3hib n ALA 2021Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3hib n ALA 2021Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3hib n ALA 2021CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hib s LEU 2022N 0.00 3.20 0.00 0.00 1.43 -0.76 -5.05 118.68 117.49 3hib s LEU 2022Ca 0.00 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3hib s LEU 2022Cb 0.00 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.64 3hib s LEU 2022CO 0.00 -2.38 0.00 -0.62 0.23 0.00 0.00 176.35 173.58 3hib n GLU 2023N -3.09 0.71 -0.06 1.70 -0.58 -1.26 -4.93 120.64 113.13 3hib n GLU 2023Ca 0.12 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.94 3hib n GLU 2023Cb 0.51 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.48 3hib n GLU 2023CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hib n ASP 2024N -0.48 2.48 0.00 1.62 8.00 -1.26 -3.80 116.55 123.11 3hib n ASP 2024Ca 0.00 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.79 3hib n ASP 2024Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 3hib n ASP 2024CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hib n GLU 2025N 0.84 0.47 -0.09 -1.24 1.02 -1.26 -3.42 120.64 116.96 3hib n GLU 2025Ca 0.10 -0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 56.55 3hib n GLU 2025Cb 0.40 -0.66 -0.15 0.00 -0.02 0.00 0.00 31.44 31.01 3hib n GLU 2025CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hib n GLU 2026N -0.10 0.68 -0.05 3.49 2.13 -1.26 -3.00 120.64 122.52 3hib n GLU 2026Ca 0.00 0.10 -0.13 0.00 0.66 0.00 0.00 57.16 57.78 3hib n GLU 2026Cb 0.32 -1.58 -0.07 0.00 0.27 0.00 0.00 31.44 30.38 3hib n GLU 2026CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hib h ARG 2027N 0.00 0.38 -0.24 5.31 3.08 -1.73 -2.42 114.38 118.77 3hib h ARG 2027Ca -0.50 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.21 3hib h ARG 2027Cb 2.12 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 32.17 3hib h ARG 2027CO 0.02 0.80 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.93 3hib h ASP 2028N -0.00 0.53 -0.67 7.04 3.32 -1.71 0.32 116.42 125.26 3hib h ASP 2028Ca 0.02 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 3hib h ASP 2028Cb 0.75 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3hib h ASP 2028CO 0.05 0.84 0.19 -0.08 -1.72 0.00 0.00 179.24 178.51 3hib h GLU 2029N 0.44 1.05 0.34 3.56 4.57 -1.55 -2.81 114.58 120.17 3hib h GLU 2029Ca 0.05 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 3hib h GLU 2029Cb 0.81 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 3hib h GLU 2029CO 0.07 0.93 -0.16 0.82 -1.18 0.00 0.00 179.01 179.48 3hib h ILE 2030N 0.98 0.67 -0.17 2.32 1.08 -1.03 -3.35 117.51 118.01 3hib h ILE 2030Ca 0.21 -0.45 -0.70 0.00 -0.39 0.00 0.00 64.86 63.53 3hib h ILE 2030Cb 0.33 0.90 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 3hib h ILE 2030CO -0.00 0.09 2.96 0.18 -0.69 0.00 0.00 178.15 180.68 3hib n LEU 2031N -5.18 6.49 -4.43 1.44 4.77 0.11 -4.86 117.00 115.34 3hib n LEU 2031Ca -0.10 -4.10 -0.44 0.00 -0.03 0.00 0.00 56.01 51.34 3hib n LEU 2031Cb 0.26 -1.68 -0.00 0.00 -2.33 0.00 0.00 43.42 39.67 3hib n LEU 2031CO 0.32 0.92 1.23 0.42 -1.33 0.00 0.00 177.39 178.95 3hib s THR 2032N 3.40 5.30 0.22 -5.08 -4.23 -1.24 -4.81 115.64 109.20 3hib s THR 2032Ca 0.48 -2.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.12 3hib s THR 2032Cb 0.12 -4.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.10 3hib s THR 2032CO -0.06 -1.50 0.19 -0.76 -0.54 0.00 0.00 174.62 171.96 3hib s LEU 2033N 0.80 1.08 0.65 4.79 1.43 -1.26 -5.11 118.68 121.06 3hib s LEU 2033Ca 0.39 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.02 3hib s LEU 2033Cb -0.05 0.60 -0.02 0.00 0.03 0.00 0.00 46.19 46.75 3hib s LEU 2033CO -0.02 -0.91 1.04 0.42 0.23 0.00 0.00 176.35 177.12 3hib s THR 2034N -4.06 4.42 0.40 5.49 -4.23 -1.26 -4.82 115.64 111.57 3hib s THR 2034Ca 0.37 0.79 0.07 0.00 -1.18 0.00 0.00 61.69 61.74 3hib s THR 2034Cb 0.05 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.44 3hib s THR 2034CO 0.13 -1.03 2.03 0.44 -0.54 0.00 0.00 174.62 175.65 3hib h ASP 2035N -0.44 0.51 -0.81 3.99 3.32 -2.00 0.16 116.42 121.16 3hib h ASP 2035Ca -0.44 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3hib h ASP 2035Cb 1.20 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 3hib h ASP 2035CO 0.61 0.36 0.40 0.28 -1.72 0.00 0.00 179.24 179.17 3hib h SER 2036N 0.60 1.05 -0.23 6.45 0.02 -2.00 -0.73 113.55 118.71 3hib h SER 2036Ca 0.20 -0.13 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 3hib h SER 2036Cb 0.08 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.36 3hib h SER 2036CO -0.05 0.89 -0.60 1.56 -1.14 0.00 0.00 176.83 177.48 3hib h GLN 2037N 1.15 0.82 0.00 3.45 4.20 -1.52 -2.89 115.11 120.32 3hib h GLN 2037Ca 0.28 -0.57 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3hib h GLN 2037Cb 0.10 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3hib h GLN 2037CO -0.04 1.19 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.20 3hib h LEU 2038N 0.57 0.00 -0.48 1.46 3.38 -0.35 -1.31 115.31 118.58 3hib h LEU 2038Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3hib h LEU 2038Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3hib h LEU 2038CO 0.13 0.05 -0.02 0.00 0.09 0.00 0.00 178.44 178.69 3hib h ALA 2039N 1.95 0.64 0.00 1.53 0.00 -0.92 0.17 119.26 122.64 3hib h ALA 2039Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3hib h ALA 2039Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hib h ALA 2039CO 0.01 0.47 -0.43 1.96 0.00 0.00 0.00 179.25 181.25 3hib h GLN 2040N 0.71 0.00 -0.13 0.00 4.20 -1.33 -0.67 115.11 117.89 3hib h GLN 2040Ca 0.13 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 3hib h GLN 2040Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3hib h GLN 2040CO 0.03 0.43 -0.41 0.28 -0.67 0.00 0.00 178.83 178.49 3hib h VAL 2041N 0.00 1.36 -0.15 -0.54 2.07 -0.92 -2.87 116.25 115.20 3hib h VAL 2041Ca -0.00 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.82 3hib h VAL 2041Cb 1.15 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 3hib h VAL 2041CO 0.06 0.51 0.02 0.00 0.02 0.00 0.00 177.57 178.18 3hib h ALA 2042N 0.51 0.14 -0.92 1.67 0.00 -0.45 -1.22 119.26 118.98 3hib h ALA 2042Ca -0.02 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3hib h ALA 2042Cb 1.04 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3hib h ALA 2042CO 0.09 -0.43 0.53 0.00 0.00 0.00 0.00 179.25 179.44 3hib h ALA 2043N 1.12 1.42 0.25 0.00 0.00 -1.13 0.27 119.26 121.18 3hib h ALA 2043Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hib h ALA 2043Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hib h ALA 2043CO -0.10 0.02 -0.12 0.35 0.00 0.00 0.00 179.25 179.40 3hib h PHE 2044N 0.77 -0.31 -0.34 0.00 3.57 -1.14 -3.10 116.94 116.40 3hib h PHE 2044Ca 0.49 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.94 3hib h PHE 2044Cb 0.63 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3hib h PHE 2044CO -0.04 0.03 0.03 0.28 -2.23 0.00 0.00 178.31 176.38 3hib h VAL 2045N -0.71 1.18 -0.96 1.41 2.07 -0.94 -1.31 116.25 117.00 3hib h VAL 2045Ca -0.03 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.90 3hib h VAL 2045Cb 0.48 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 3hib h VAL 2045CO 0.06 0.24 0.60 0.78 0.02 0.00 0.00 177.57 179.26 3hib h ASN 2046N 0.49 0.90 -0.14 0.57 2.35 -0.43 -2.97 115.58 116.34 3hib h ASN 2046Ca 0.11 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hib h ASN 2046Cb 0.27 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3hib h ASN 2046CO 0.00 0.51 0.00 0.59 -1.65 0.00 0.00 177.43 176.88 3hib n ASN 2047N -4.62 2.49 -4.68 5.81 5.03 -1.07 -4.96 115.26 113.26 3hib n ASN 2047Ca 0.17 -1.71 -0.42 0.00 0.87 0.00 0.00 54.58 53.48 3hib n ASN 2047Cb 0.29 -0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 38.94 3hib n ASN 2047CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3hib s TYR 2048N -1.14 2.29 0.55 3.10 5.04 -0.52 -4.95 117.35 121.73 3hib s TYR 2048Ca 0.21 0.29 -0.17 0.00 -2.44 0.00 0.00 57.07 54.95 3hib s TYR 2048Cb 0.13 -3.94 -0.05 0.00 0.35 0.00 0.00 41.96 38.44 3hib s TYR 2048CO 0.19 -3.84 1.05 -2.14 -1.34 0.00 0.00 175.55 169.47 3hib s PRO 2049N 3.04 3.49 -0.27 4.97 0.02 -1.26 -5.01 135.00 139.98 3hib s PRO 2049Ca 0.74 1.27 -0.01 0.00 0.02 0.00 0.00 61.00 63.02 3hib s PRO 2049Cb -0.38 -2.05 0.13 0.00 0.02 0.00 0.00 34.50 32.22 3hib s PRO 2049CO 0.32 -0.68 0.32 1.21 -0.33 0.00 0.00 177.00 177.84 3hib s ASN 2050N -2.47 1.16 0.33 2.53 3.84 -1.26 -4.86 114.94 114.20 3hib s ASN 2050Ca 0.65 -0.46 0.10 0.00 0.21 0.00 0.00 52.86 53.36 3hib s ASN 2050Cb -0.16 0.71 -0.06 0.00 -0.55 0.00 0.00 41.25 41.18 3hib s ASN 2050CO 0.31 -0.36 -0.12 0.68 -2.79 0.00 0.00 177.10 174.82 3hib s VAL 2051N 2.42 2.32 -0.04 -5.21 -7.23 -1.26 -4.00 120.40 107.40 3hib s VAL 2051Ca 0.10 -2.25 0.06 0.00 -1.81 0.00 0.00 61.98 58.08 3hib s VAL 2051Cb -0.14 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3hib s VAL 2051CO -0.27 -0.25 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.44 3hib s GLU 2052N -3.59 2.16 -0.14 4.82 0.41 0.29 -4.91 118.70 117.74 3hib s GLU 2052Ca 0.32 -0.81 -0.03 0.00 -0.41 0.00 0.00 54.97 54.04 3hib s GLU 2052Cb 0.01 -1.91 -0.03 0.00 -1.78 0.00 0.00 34.13 30.42 3hib s GLU 2052CO 0.16 0.38 -0.03 -1.17 -0.49 0.00 0.00 175.26 174.12 3hib s LEU 2053N -0.22 3.34 0.22 1.80 2.96 -1.26 -0.16 118.68 125.36 3hib s LEU 2053Ca -0.00 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 3hib s LEU 2053Cb -0.12 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3hib s LEU 2053CO 0.02 0.22 0.31 0.42 -1.32 0.00 0.00 176.35 176.00 3hib s THR 2054N 0.09 0.01 0.31 3.68 -4.23 -0.86 -5.00 115.64 109.64 3hib s THR 2054Ca 0.00 -1.64 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 3hib s THR 2054Cb -0.13 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.47 3hib s THR 2054CO 0.02 -0.05 0.71 -0.72 -0.54 0.00 0.00 174.62 174.05 3hib s TYR 2055N -4.07 -0.00 0.17 3.99 -0.85 -1.25 -0.98 117.35 114.35 3hib s TYR 2055Ca 0.28 -0.51 -0.12 0.00 -0.52 0.00 0.00 57.07 56.20 3hib s TYR 2055Cb 0.03 0.68 0.01 0.00 0.38 0.00 0.00 41.96 43.05 3hib s TYR 2055CO 0.09 -1.32 0.36 -1.12 -1.52 0.00 0.00 175.55 172.04 3hib s SER 2056N -2.99 -0.06 0.00 -0.18 0.01 0.08 -4.93 113.70 105.63 3hib s SER 2056Ca 0.14 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3hib s SER 2056Cb -0.05 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3hib s SER 2056CO 0.09 -0.93 0.00 0.18 0.41 0.00 0.00 173.24 172.99 3hib n LEU 2057N -0.24 0.00 0.00 2.44 4.77 -1.26 -0.65 117.00 122.05 3hib n LEU 2057Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3hib n LEU 2057Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3hib n LEU 2057CO 0.21 0.00 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.04 3hib n ASN 2058N 0.00 0.32 -0.79 -1.43 2.85 -1.26 -4.94 115.26 110.02 3hib n ASN 2058Ca 0.00 -0.03 -0.10 0.00 -0.11 0.00 0.00 54.58 54.34 3hib n ASN 2058Cb 0.00 0.12 -0.04 0.00 1.24 0.00 0.00 39.78 41.10 3hib n ASN 2058CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hib n ASN 2059N -0.15 -4.79 -2.75 1.20 3.02 -1.26 -5.01 115.26 105.52 3hib n ASN 2059Ca 0.00 0.25 -0.04 0.00 -0.03 0.00 0.00 54.58 54.77 3hib n ASN 2059Cb 0.00 -3.19 0.01 0.00 -0.61 0.00 0.00 39.78 35.99 3hib n ASN 2059CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3hib s SER 2060N -2.62 -1.28 0.08 6.41 0.01 -1.26 -5.07 113.70 109.96 3hib s SER 2060Ca 0.00 -1.52 -0.11 0.00 1.31 0.00 0.00 55.95 55.62 3hib s SER 2060Cb 0.00 1.68 0.04 0.00 0.21 0.00 0.00 66.02 67.95 3hib s SER 2060CO 0.00 -0.05 0.54 -0.67 0.41 0.00 0.00 173.24 173.47 3hib n ASP 2061N 2.92 -0.84 0.00 2.44 2.03 -1.26 -5.05 116.55 116.79 3hib n ASP 2061Ca 0.17 -1.41 0.00 0.00 0.52 0.00 0.00 54.79 54.07 3hib n ASP 2061Cb 0.57 1.35 0.00 0.00 -0.72 0.00 0.00 41.12 42.33 3hib n ASP 2061CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3hib n SER 2065N -0.89 0.00 -0.88 1.67 3.41 -1.25 -1.83 113.62 113.84 3hib n SER 2065Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.66 3hib n SER 2065Cb 0.29 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.43 3hib n SER 2065CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hib n GLY 2066N -0.13 1.27 3.45 5.00 0.00 -1.26 -4.26 105.19 109.25 3hib n GLY 2066Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 3hib n GLY 2066CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hib s VAL 2067N -1.60 1.71 0.13 1.61 1.01 -1.26 -4.82 120.40 117.18 3hib s VAL 2067Ca 0.28 -2.12 -0.31 0.00 0.00 0.00 0.00 61.98 59.82 3hib s VAL 2067Cb 0.16 -2.52 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 3hib s VAL 2067CO 0.16 -0.26 1.61 -0.54 0.00 0.00 0.00 175.10 176.07 3hib s LYS 2068N -3.72 4.20 -0.06 2.72 1.02 -1.26 -3.04 119.74 119.59 3hib s LYS 2068Ca 0.31 2.37 -0.00 0.00 0.02 0.00 0.00 55.97 58.66 3hib s LYS 2068Cb 0.04 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3hib s LYS 2068CO 0.13 -0.67 -0.02 -0.65 -0.92 0.00 0.00 175.35 173.23 3hib s GLN 2069N 1.71 2.88 -0.30 1.68 -0.21 -1.11 -4.95 119.66 119.35 3hib s GLN 2069Ca 0.72 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 55.56 3hib s GLN 2069Cb -0.43 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 30.89 3hib s GLN 2069CO 0.32 0.68 0.05 0.15 -2.12 0.00 0.00 175.29 174.37 3hib s LYS 2070N -0.99 2.89 0.27 2.91 1.02 -1.26 -2.50 119.74 122.08 3hib s LYS 2070Ca 0.14 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 3hib s LYS 2070Cb -0.11 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 3hib s LYS 2070CO 0.03 -0.50 0.49 -1.50 -0.92 0.00 0.00 175.35 172.96 3hib s ILE 2071N 1.43 5.11 -0.24 2.17 2.07 -0.90 -4.65 121.20 126.19 3hib s ILE 2071Ca 0.01 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 3hib s ILE 2071Cb -0.18 -3.77 0.04 0.00 0.13 0.00 0.00 42.46 38.68 3hib s ILE 2071CO 0.01 -0.33 -0.10 0.28 -1.91 0.00 0.00 174.94 172.89 3hib s THR 2072N -2.06 2.49 -0.15 4.00 -1.32 0.17 -2.65 115.64 116.11 3hib s THR 2072Ca 0.41 -1.25 -0.05 0.00 -1.21 0.00 0.00 61.69 59.60 3hib s THR 2072Cb -0.10 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 3hib s THR 2072CO 0.31 0.16 -0.00 -0.63 -2.21 0.00 0.00 174.62 172.25 3hib s ILE 2073N 1.24 4.22 -0.00 5.08 1.01 0.28 -0.74 121.20 132.29 3hib s ILE 2073Ca -0.02 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.45 3hib s ILE 2073Cb -0.17 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 3hib s ILE 2073CO -0.06 0.50 -0.22 0.00 0.00 0.00 0.00 174.94 175.16 3hib s GLN 2074N 0.19 1.69 -0.10 2.79 -2.07 -0.15 0.39 119.66 122.40 3hib s GLN 2074Ca 0.00 -0.81 0.04 0.00 -1.82 0.00 0.00 55.36 52.77 3hib s GLN 2074Cb -0.13 -1.67 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 3hib s GLN 2074CO 0.02 0.45 -0.23 -0.51 -1.32 0.00 0.00 175.29 173.70 3hib s LEU 2075N -0.65 2.06 -0.11 2.60 1.43 0.37 -2.02 118.68 122.36 3hib s LEU 2075Ca 0.08 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3hib s LEU 2075Cb -0.08 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 3hib s LEU 2075CO -0.00 0.14 -0.17 0.28 0.23 0.00 0.00 176.35 176.83 3hib s THR 2076N 0.43 2.74 0.16 5.49 -1.32 0.78 -0.28 115.64 123.63 3hib s THR 2076Ca -0.17 -0.79 0.07 0.00 -1.21 0.00 0.00 61.69 59.60 3hib s THR 2076Cb -0.18 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 3hib s THR 2076CO 0.07 0.54 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.86 3hib s ARG 2077N 0.19 2.30 0.19 7.08 0.52 0.14 0.11 118.95 129.48 3hib s ARG 2077Ca -0.10 -1.11 0.24 0.00 -0.52 0.00 0.00 55.73 54.24 3hib s ARG 2077Cb -0.16 -2.32 0.91 0.00 0.52 0.00 0.00 34.95 33.90 3hib s ARG 2077CO 0.06 0.47 1.72 -0.25 0.02 0.00 0.00 175.30 177.32 3hib n ASP 2078N 0.10 0.58 -3.64 0.23 8.00 -1.26 -4.65 116.55 115.91 3hib n ASP 2078Ca -0.11 0.60 -0.05 0.00 0.71 0.00 0.00 54.79 55.95 3hib n ASP 2078Cb 0.54 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.83 3hib n ASP 2078CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hib s VAL 2079N -3.18 0.00 0.09 2.53 1.01 -1.26 -5.04 120.40 114.54 3hib s VAL 2079Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 61.98 61.72 3hib s VAL 2079Cb 0.11 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.36 3hib s VAL 2079CO 0.46 0.00 1.70 1.21 0.00 0.00 0.00 175.10 178.47 3hib n GLU 2080N 2.72 2.26 -2.07 2.72 2.13 -1.26 -4.63 120.64 122.51 3hib n GLU 2080Ca -0.15 0.82 -0.39 0.00 0.66 0.00 0.00 57.16 58.11 3hib n GLU 2080Cb 0.57 -2.63 -0.00 0.00 0.27 0.00 0.00 31.44 29.65 3hib n GLU 2080CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3hib s PRO 2081N 2.06 3.82 0.32 5.31 0.04 -1.26 -4.88 135.00 140.41 3hib s PRO 2081Ca 0.83 2.07 0.07 0.00 0.04 0.00 0.00 61.00 64.01 3hib s PRO 2081Cb -0.65 -2.62 0.76 0.00 0.04 0.00 0.00 34.50 32.03 3hib s PRO 2081CO 0.42 -0.59 1.81 0.93 0.04 0.00 0.00 177.00 179.61 3hib h GLU 2082N 2.39 0.74 -2.76 4.56 4.39 -1.95 -3.45 114.58 118.50 3hib h GLU 2082Ca -0.50 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.24 3hib h GLU 2082Cb 1.25 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3hib h GLU 2082CO 0.61 0.49 0.45 0.54 -1.16 0.00 0.00 179.01 179.94 3hib s ASN 2083N -5.54 0.02 -0.21 1.42 2.20 -1.26 -5.06 114.94 106.51 3hib s ASN 2083Ca -0.11 -0.91 0.14 0.00 -0.94 0.00 0.00 52.86 51.04 3hib s ASN 2083Cb 0.24 0.67 0.44 0.00 -2.00 0.00 0.00 41.25 40.60 3hib s ASN 2083CO 0.80 -1.33 1.33 0.18 -2.94 0.00 0.00 177.10 175.14 3hib n LEU 2084N -0.63 3.37 -4.71 3.54 4.77 -1.26 -5.00 117.00 117.08 3hib n LEU 2084Ca -0.05 -3.42 -0.42 0.00 -0.03 0.00 0.00 56.01 52.08 3hib n LEU 2084Cb 0.60 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3hib n LEU 2084CO 0.24 0.99 1.18 -1.58 -1.33 0.00 0.00 177.39 176.89 3hib s GLN 2085N -3.04 4.26 0.17 3.23 2.00 -1.26 -0.65 119.66 124.36 3hib s GLN 2085Ca 0.40 2.20 -0.23 0.00 -2.00 0.00 0.00 55.36 55.72 3hib s GLN 2085Cb 0.35 -3.35 -0.08 0.00 0.80 0.00 0.00 33.01 30.73 3hib s GLN 2085CO 0.02 -0.57 0.74 0.08 -0.50 0.00 0.00 175.29 175.06 3hib s VAL 2086N 1.67 4.45 -0.30 1.34 1.01 0.13 -4.87 120.40 123.83 3hib s VAL 2086Ca 0.68 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 64.10 3hib s VAL 2086Cb -0.39 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3hib s VAL 2086CO 0.30 0.46 0.21 -0.89 0.00 0.00 0.00 175.10 175.19 3hib s THR 2087N -1.22 5.30 -0.05 3.92 2.01 -1.26 -4.66 115.64 119.68 3hib s THR 2087Ca 0.36 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 3hib s THR 2087Cb -0.21 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.72 3hib s THR 2087CO 0.24 0.14 0.07 -0.55 -0.69 0.00 0.00 174.62 173.83 3hib s SER 2088N 1.74 1.17 0.20 3.53 0.15 -1.26 -4.94 113.70 114.29 3hib s SER 2088Ca 0.07 0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.69 3hib s SER 2088Cb -0.17 -0.12 0.14 0.00 -1.71 0.00 0.00 66.02 64.17 3hib s SER 2088CO 0.11 -0.25 1.80 -0.08 1.20 0.00 0.00 173.24 176.01 3hib h GLU 2089N 8.43 1.08 0.00 5.44 4.81 -1.88 -3.33 114.58 129.14 3hib h GLU 2089Ca -0.12 -0.15 -0.32 0.00 -0.13 0.00 0.00 59.36 58.63 3hib h GLU 2089Cb 1.12 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 3hib h GLU 2089CO 0.16 0.83 -1.96 1.63 -0.73 0.00 0.00 179.01 178.94 3hib n LYS 2090N -4.40 0.66 -2.48 1.92 4.76 -1.26 -4.83 118.16 112.51 3hib n LYS 2090Ca 0.07 0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 55.27 3hib n LYS 2090Cb 0.13 -1.70 -0.02 0.00 -1.84 0.00 0.00 35.03 31.60 3hib n LYS 2090CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3hib s TYR 2091N -2.56 2.83 -1.57 2.13 5.04 -1.25 -4.92 117.35 117.06 3hib s TYR 2091Ca -0.08 0.97 0.24 0.00 -2.44 0.00 0.00 57.07 55.76 3hib s TYR 2091Cb 0.07 -3.82 1.25 0.00 0.35 0.00 0.00 41.96 39.81 3hib s TYR 2091CO 0.82 -1.44 1.78 -0.35 -1.34 0.00 0.00 175.55 175.02 3hib n PRO 2092N 7.13 0.44 -4.31 4.97 -0.04 -1.26 -4.77 135.00 137.16 3hib n PRO 2092Ca 0.14 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 3hib n PRO 2092Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 3hib n PRO 2092CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3hib s PHE 2093N -2.43 2.64 0.46 0.54 0.08 -1.26 -3.27 117.98 114.74 3hib s PHE 2093Ca 0.26 -0.23 -0.24 0.00 0.12 0.00 0.00 56.93 56.83 3hib s PHE 2093Cb 0.16 -1.20 -0.07 0.00 -0.57 0.00 0.00 43.02 41.34 3hib s PHE 2093CO 0.34 0.61 1.30 -0.51 -0.10 0.00 0.00 175.22 176.85 3hib s ASP 2094N -3.45 5.98 -0.12 1.36 1.01 0.64 -4.71 116.67 117.38 3hib s ASP 2094Ca 0.30 2.63 -0.10 0.00 0.71 0.00 0.00 52.55 56.09 3hib s ASP 2094Cb -0.07 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.27 3hib s ASP 2094CO 0.18 -1.07 0.31 -0.75 0.21 0.00 0.00 175.17 174.05 3hib s LYS 2095N -2.53 0.34 -0.14 8.23 2.20 -1.26 -4.73 119.74 121.85 3hib s LYS 2095Ca 0.62 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.63 3hib s LYS 2095Cb -0.37 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 3hib s LYS 2095CO 0.46 -0.07 0.12 -0.51 -0.36 0.00 0.00 175.35 174.99 3hib s LEU 2096N 0.42 4.23 0.16 5.43 1.43 -1.26 0.21 118.68 129.29 3hib s LEU 2096Ca -0.02 0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 53.13 3hib s LEU 2096Cb -0.04 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 3hib s LEU 2096CO -0.02 0.34 1.44 -0.70 0.23 0.00 0.00 176.35 177.64 3hib s GLU 2097N -0.61 4.29 0.07 1.70 2.12 0.18 -4.89 118.70 121.56 3hib s GLU 2097Ca 0.12 2.18 -0.00 0.00 0.36 0.00 0.00 54.97 57.63 3hib s GLU 2097Cb -0.12 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3hib s GLU 2097CO 0.02 -0.46 -0.03 0.45 -0.54 0.00 0.00 175.26 174.70 3hib s SER 2098N 0.93 0.64 0.06 -1.70 0.15 -1.26 -4.76 113.70 107.76 3hib s SER 2098Ca 0.65 -1.02 0.02 0.00 0.70 0.00 0.00 55.95 56.29 3hib s SER 2098Cb -0.39 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.07 3hib s SER 2098CO 0.33 -0.58 -0.07 0.26 1.20 0.00 0.00 173.24 174.38 3hib s TRP 2099N -3.86 0.74 -0.12 3.44 0.52 0.89 -0.52 118.94 120.03 3hib s TRP 2099Ca 0.10 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.53 3hib s TRP 2099Cb 0.07 -0.44 -0.02 0.00 -1.15 0.00 0.00 33.47 31.94 3hib s TRP 2099CO -0.08 -0.12 -0.13 -1.58 0.02 0.00 0.00 176.95 175.06 3hib s TRP 2100N -2.38 2.79 -0.24 -1.98 0.51 0.52 -0.39 118.94 117.78 3hib s TRP 2100Ca -0.01 -0.58 -0.09 0.00 -2.12 0.00 0.00 56.10 53.30 3hib s TRP 2100Cb -0.03 -1.81 -0.04 0.00 -0.81 0.00 0.00 33.47 30.78 3hib s TRP 2100CO -0.02 -0.16 0.12 -0.51 -0.51 0.00 0.00 176.95 175.87 3hib s LEU 2101N 0.20 3.82 -0.06 2.99 1.43 0.10 -1.25 118.68 125.92 3hib s LEU 2101Ca -0.08 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3hib s LEU 2101Cb -0.15 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.06 3hib s LEU 2101CO 0.05 0.03 -0.12 -0.69 0.23 0.00 0.00 176.35 175.86 3hib s VAL 2102N 1.24 1.07 -0.19 -1.59 1.01 -0.14 -0.99 120.40 120.81 3hib s VAL 2102Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3hib s VAL 2102Cb -0.14 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3hib s VAL 2102CO 0.05 0.34 -0.08 -0.22 0.00 0.00 0.00 175.10 175.19 3hib s LEU 2103N 0.60 2.80 0.00 3.92 2.96 -0.22 -0.65 118.68 128.10 3hib s LEU 2103Ca -0.13 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3hib s LEU 2103Cb -0.15 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.86 3hib s LEU 2103CO 0.03 0.04 0.45 0.61 -1.32 0.00 0.00 176.35 176.17 3hib n GLY 2104N 4.35 2.23 2.72 7.98 0.00 -0.55 -0.50 105.19 121.42 3hib n GLY 2104Ca -0.18 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 3hib n GLY 2104CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hib s GLU 2105N -2.84 0.85 0.21 1.61 2.12 -0.29 -1.12 118.70 119.25 3hib s GLU 2105Ca 0.30 -1.31 -0.10 0.00 0.36 0.00 0.00 54.97 54.22 3hib s GLU 2105Cb -0.01 -2.06 0.31 0.00 0.26 0.00 0.00 34.13 32.64 3hib s GLU 2105CO 0.21 -1.04 1.67 0.28 -0.54 0.00 0.00 175.26 175.85 3hib h VAL 2106N 6.15 0.53 -0.93 3.70 2.07 -1.84 0.54 116.25 126.47 3hib h VAL 2106Ca -0.10 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.51 3hib h VAL 2106Cb 0.99 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.02 3hib h VAL 2106CO 0.46 0.03 0.55 0.77 0.02 0.00 0.00 177.57 179.40 3hib h SER 2107N 0.16 0.74 0.08 0.57 4.64 -1.96 -0.06 113.55 117.72 3hib h SER 2107Ca 0.33 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3hib h SER 2107Cb 0.53 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hib h SER 2107CO -0.49 0.35 -0.55 0.29 -0.87 0.00 0.00 176.83 175.55 3hib n LYS 2108N -4.75 0.76 -4.00 4.77 5.02 -0.86 -4.96 118.16 114.15 3hib n LYS 2108Ca 0.19 -0.59 -0.30 0.00 -2.02 0.00 0.00 58.31 55.58 3hib n LYS 2108Cb 0.42 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3hib n LYS 2108CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3hib n LYS 2109N -0.60 -4.13 -4.21 1.97 2.85 0.18 -4.97 118.16 109.25 3hib n LYS 2109Ca 0.08 0.48 -0.35 0.00 -1.05 0.00 0.00 58.31 57.47 3hib n LYS 2109Cb 0.40 -5.09 -0.08 0.00 -0.65 0.00 0.00 35.03 29.61 3hib n LYS 2109CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3hib s GLU 2110N -6.64 3.12 -0.42 -1.58 2.12 -0.98 -2.08 118.70 112.24 3hib s GLU 2110Ca 0.45 -0.33 -0.10 0.00 0.36 0.00 0.00 54.97 55.35 3hib s GLU 2110Cb -0.24 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.31 3hib s GLU 2110CO 0.88 0.72 0.27 -1.17 -0.54 0.00 0.00 175.26 175.42 3hib s LEU 2111N -0.98 5.14 0.04 2.70 0.20 0.19 -1.13 118.68 124.84 3hib s LEU 2111Ca 0.14 -1.41 -0.26 0.00 0.69 0.00 0.00 54.13 53.29 3hib s LEU 2111Cb -0.12 -2.01 -0.14 0.00 -0.43 0.00 0.00 46.19 43.49 3hib s LEU 2111CO 0.03 -0.53 1.34 1.88 -0.29 0.00 0.00 176.35 178.78 3hib h TYR 2112N 8.45 -0.87 -3.15 5.38 -1.99 -1.10 -3.40 116.97 120.29 3hib h TYR 2112Ca -0.24 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.42 3hib h TYR 2112Cb 1.09 0.29 -0.14 0.00 2.00 0.00 0.00 36.73 39.97 3hib h TYR 2112CO 0.61 -0.54 0.02 0.00 -0.00 0.00 0.00 178.16 178.25 3hib s ALA 2113N -5.04 -1.18 0.06 3.88 0.00 -1.02 -4.81 121.76 113.66 3hib s ALA 2113Ca -0.14 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3hib s ALA 2113Cb 0.01 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3hib s ALA 2113CO 0.41 -0.64 -0.07 -1.50 0.00 0.00 0.00 175.76 173.97 3hib s ILE 2114N -3.44 0.54 -0.19 0.00 2.07 -1.26 -1.05 121.20 117.86 3hib s ILE 2114Ca 0.00 -1.48 -0.10 0.00 -1.41 0.00 0.00 60.65 57.66 3hib s ILE 2114Cb 0.00 -1.11 0.07 0.00 0.13 0.00 0.00 42.46 41.56 3hib s ILE 2114CO -0.10 -0.65 0.46 -0.75 -1.91 0.00 0.00 174.94 172.00 3hib s LYS 2115N -2.71 0.44 -0.20 3.50 2.20 -0.16 -4.96 119.74 117.86 3hib s LYS 2115Ca 0.00 0.91 -0.20 0.00 -0.36 0.00 0.00 55.97 56.32 3hib s LYS 2115Cb -0.02 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 3hib s LYS 2115CO -0.03 -0.17 0.57 0.21 -0.36 0.00 0.00 175.35 175.57 3hib s LYS 2116N 1.63 4.20 0.19 4.03 2.20 -1.26 0.03 119.74 130.77 3hib s LYS 2116Ca -0.09 0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 56.04 3hib s LYS 2116Cb -0.08 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3hib s LYS 2116CO -0.14 -0.19 0.09 0.14 -0.36 0.00 0.00 175.35 174.88 3hib s VAL 2117N 1.76 0.25 -0.09 4.02 -7.23 0.48 -4.97 120.40 114.62 3hib s VAL 2117Ca 0.26 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 3hib s VAL 2117Cb -0.16 -2.37 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 3hib s VAL 2117CO 0.10 -0.18 -0.23 0.42 -0.31 0.00 0.00 175.10 174.90 3hib s THR 2118N -3.96 1.97 -1.13 5.32 -4.23 -1.26 -0.08 115.64 112.27 3hib s THR 2118Ca 0.33 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3hib s THR 2118Cb 0.07 -1.70 0.26 0.00 1.34 0.00 0.00 72.50 72.47 3hib s THR 2118CO 0.09 0.54 1.82 0.18 -0.54 0.00 0.00 174.62 176.71 3hib n LEU 2119N 3.40 7.09 0.00 4.79 4.32 -1.26 -4.79 117.00 130.55 3hib n LEU 2119Ca -0.19 -5.15 0.04 0.00 -0.02 0.00 0.00 56.01 50.69 3hib n LEU 2119Cb 0.53 -1.28 0.26 0.00 -1.62 0.00 0.00 43.42 41.31 3hib n LEU 2119CO 0.27 1.85 0.63 -0.46 -1.22 0.00 0.00 177.39 178.45 3hib n ASN 2120N 1.21 0.00 -4.32 -1.43 6.94 -1.26 -4.80 115.26 111.60 3hib n ASN 2120Ca 0.42 -1.53 -0.17 0.00 -0.02 0.00 0.00 54.58 53.28 3hib n ASN 2120Cb 0.29 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.61 3hib n ASN 2120CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hib s LYS 2121N -2.00 1.28 0.50 -3.83 -0.14 -1.26 -4.49 119.74 109.81 3hib s LYS 2121Ca 0.13 -1.62 0.34 0.00 -1.36 0.00 0.00 55.97 53.46 3hib s LYS 2121Cb 0.06 -0.68 1.65 0.00 -1.68 0.00 0.00 37.83 37.18 3hib s LYS 2121CO 0.10 -0.03 2.02 1.49 -0.76 0.00 0.00 175.35 178.17 3hib h GLU 2122N 2.54 0.00 -2.23 1.68 4.81 -1.84 -3.39 114.58 116.15 3hib h GLU 2122Ca -0.38 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 3hib h GLU 2122Cb 1.22 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 3hib h GLU 2122CO 0.64 0.00 -0.00 -0.08 -0.73 0.00 0.00 179.01 178.84 3hib s THR 2123N -3.76 -0.00 0.05 0.32 -1.32 -1.26 -0.68 115.64 108.99 3hib s THR 2123Ca -0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 3hib s THR 2123Cb 0.10 -0.87 -0.04 0.00 -1.51 0.00 0.00 72.50 70.18 3hib s THR 2123CO 0.41 0.00 -0.03 -1.10 -2.21 0.00 0.00 174.62 171.69 3hib s GLN 2124N 0.53 0.62 -0.07 7.08 1.11 0.62 -4.98 119.66 124.57 3hib s GLN 2124Ca -0.02 -1.22 -0.05 0.00 0.01 0.00 0.00 55.36 54.09 3hib s GLN 2124Cb -0.05 0.17 0.03 0.00 -1.01 0.00 0.00 33.01 32.15 3hib s GLN 2124CO -0.02 -0.10 0.18 -1.14 0.01 0.00 0.00 175.29 174.22 3hib s GLN 2125N -3.86 0.18 0.13 2.91 0.74 -1.26 -0.48 119.66 118.01 3hib s GLN 2125Ca 0.07 0.34 -0.00 0.00 0.05 0.00 0.00 55.36 55.82 3hib s GLN 2125Cb 0.07 -0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 3hib s GLN 2125CO -0.09 -0.09 0.03 0.71 -0.55 0.00 0.00 175.29 175.29 3hib s TYR 2126N 0.64 0.91 -0.05 1.67 2.02 0.16 -4.98 117.35 117.72 3hib s TYR 2126Ca -0.05 -1.16 0.01 0.00 -0.37 0.00 0.00 57.07 55.50 3hib s TYR 2126Cb -0.06 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 3hib s TYR 2126CO -0.03 -0.42 -0.04 -1.83 -1.57 0.00 0.00 175.55 171.66 3hib s GLU 2127N -4.00 0.83 -0.08 -0.62 -1.05 -1.26 -0.56 118.70 111.97 3hib s GLU 2127Ca 0.22 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 3hib s GLU 2127Cb 0.07 -0.90 -0.03 0.00 -0.44 0.00 0.00 34.13 32.84 3hib s GLU 2127CO 0.01 -0.12 -0.07 -0.51 0.95 0.00 0.00 175.26 175.52 3hib s LEU 2128N 1.12 3.17 -0.16 1.83 1.43 -1.08 -4.98 118.68 120.00 3hib s LEU 2128Ca -0.08 -0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3hib s LEU 2128Cb -0.14 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3hib s LEU 2128CO -0.01 0.34 -0.02 -0.70 0.23 0.00 0.00 176.35 176.19 3hib s GLU 2129N -0.70 3.69 0.36 1.70 2.12 -1.26 -2.11 118.70 122.51 3hib s GLU 2129Ca 0.11 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 54.99 3hib s GLU 2129Cb -0.11 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 3hib s GLU 2129CO 0.02 0.27 0.16 -0.59 -0.54 0.00 0.00 175.26 174.58 3hib s PHE 2130N 0.30 1.73 0.43 5.30 -0.12 -1.04 -4.84 117.98 119.75 3hib s PHE 2130Ca -0.02 -1.37 -0.04 0.00 -0.05 0.00 0.00 56.93 55.45 3hib s PHE 2130Cb -0.14 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.21 3hib s PHE 2130CO 0.02 -0.45 0.72 -0.51 -0.05 0.00 0.00 175.22 174.95 3hib s ASP 2131N -3.50 6.30 -0.49 1.98 1.01 -1.26 -2.76 116.67 117.95 3hib s ASP 2131Ca 0.31 0.83 -0.14 0.00 0.71 0.00 0.00 52.55 54.26 3hib s ASP 2131Cb 0.03 -2.20 0.11 0.00 1.01 0.00 0.00 42.92 41.87 3hib s ASP 2131CO 0.18 -0.48 0.41 -0.89 0.21 0.00 0.00 175.17 174.60 3hib s THR 2132N -2.58 4.90 0.20 -1.27 2.01 -1.17 -4.75 115.64 112.98 3hib s THR 2132Ca 0.46 -1.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 3hib s THR 2132Cb -0.10 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 3hib s THR 2132CO 0.41 -0.73 -0.10 -2.65 -0.69 0.00 0.00 174.62 170.86 3hib n PRO 2133N 5.13 0.00 -3.16 4.92 -0.01 -1.26 -3.91 135.00 136.71 3hib n PRO 2133Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 63.50 62.97 3hib n PRO 2133Cb 0.41 -0.33 -0.06 0.00 -0.01 0.00 0.00 33.50 33.51 3hib n PRO 2133CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 3hib s THR 2134N -0.67 5.05 0.59 3.45 2.01 -1.26 -3.91 115.64 120.90 3hib s THR 2134Ca 0.02 1.09 -0.17 0.00 0.31 0.00 0.00 61.69 62.95 3hib s THR 2134Cb 0.01 -3.91 -0.14 0.00 0.01 0.00 0.00 72.50 68.47 3hib s THR 2134CO 0.04 0.13 -0.27 -1.20 -0.69 0.00 0.00 174.62 172.62 3hib n SER 2135N 5.02 -4.05 0.00 3.53 7.64 -1.26 -4.28 113.62 120.21 3hib n SER 2135Ca -0.03 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.38 3hib n SER 2135Cb 0.50 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3hib n SER 2135CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hib n GLY 2136N 2.63 1.88 0.00 0.23 0.00 -1.26 -5.03 105.19 103.64 3hib n GLY 2136Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3hib n GLY 2136CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hib n LYS 2137N 0.00 0.00 -3.88 1.61 2.85 -1.26 -3.64 118.16 113.85 3hib n LYS 2137Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 3hib n LYS 2137Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 3hib n LYS 2137CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3hib s HIS 2138N -2.00 0.05 -0.86 5.58 0.09 -0.91 -4.86 115.29 112.39 3hib s HIS 2138Ca 0.00 0.02 -0.22 0.00 -0.00 0.00 0.00 55.06 54.85 3hib s HIS 2138Cb 0.00 -0.08 0.08 0.00 -0.00 0.00 0.00 32.58 32.58 3hib s HIS 2138CO 0.00 -0.02 1.20 -0.80 -0.00 0.00 0.00 174.74 175.12 3hib s ASN 2139N 0.21 6.40 0.05 1.40 0.01 -1.26 -1.47 114.94 120.28 3hib s ASN 2139Ca -0.02 -1.36 -0.06 0.00 -0.71 0.00 0.00 52.86 50.71 3hib s ASN 2139Cb -0.03 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 3hib s ASN 2139CO -0.01 -1.41 0.31 -0.76 -1.51 0.00 0.00 177.10 173.72 3hib s LEU 2140N 4.16 4.35 0.06 0.60 1.43 0.19 -4.25 118.68 125.23 3hib s LEU 2140Ca 0.34 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 3hib s LEU 2140Cb -0.07 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 3hib s LEU 2140CO -0.01 0.20 -0.17 -0.89 0.23 0.00 0.00 176.35 175.71 3hib s THR 2141N -1.39 1.39 -0.17 5.49 2.01 -0.27 0.71 115.64 123.41 3hib s THR 2141Ca 0.31 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 61.07 3hib s THR 2141Cb -0.13 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.13 3hib s THR 2141CO 0.19 -0.02 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.29 3hib s ILE 2142N -1.01 2.31 -0.09 1.82 1.01 0.10 -1.49 121.20 123.85 3hib s ILE 2142Ca 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 3hib s ILE 2142Cb -0.09 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3hib s ILE 2142CO 0.02 0.53 -0.07 0.26 0.00 0.00 0.00 174.94 175.68 3hib s TRP 2143N 1.11 2.95 -0.36 3.97 0.51 0.18 -1.62 118.94 125.69 3hib s TRP 2143Ca 0.00 -0.09 -0.01 0.00 -2.12 0.00 0.00 56.10 53.88 3hib s TRP 2143Cb -0.14 -1.78 0.09 0.00 -0.81 0.00 0.00 33.47 30.83 3hib s TRP 2143CO -0.07 0.21 0.11 0.00 -0.51 0.00 0.00 176.95 176.69 3hib s VAL 2145N 1.14 2.85 0.23 0.00 1.01 -0.38 -1.92 120.40 123.34 3hib s VAL 2145Ca 0.04 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 3hib s VAL 2145Cb -0.21 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 3hib s VAL 2145CO -0.04 0.52 0.80 0.00 0.00 0.00 0.00 175.10 176.38 3hib n ASP 2147N 0.94 2.15 0.00 0.00 5.75 0.32 -4.45 116.55 121.26 3hib n ASP 2147Ca -0.02 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 3hib n ASP 2147Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3hib n ASP 2147CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3hib n SER 2148N 0.68 0.53 -4.01 -1.12 7.64 -1.26 -3.99 113.62 112.08 3hib n SER 2148Ca 0.17 -0.79 -0.08 0.00 1.01 0.00 0.00 58.87 59.17 3hib n SER 2148Cb 0.46 0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 63.86 3hib n SER 2148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hib s TYR 2149N -0.29 0.46 0.13 1.43 2.02 -1.26 -4.61 117.35 115.24 3hib s TYR 2149Ca 0.00 -0.91 0.06 0.00 -0.37 0.00 0.00 57.07 55.85 3hib s TYR 2149Cb 0.00 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 3hib s TYR 2149CO 0.00 -0.51 0.03 -0.51 -1.57 0.00 0.00 175.55 172.99 3hib s LEU 2150N -2.94 3.50 -0.07 -1.29 1.02 -1.26 -4.67 118.68 112.98 3hib s LEU 2150Ca 0.11 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.03 3hib s LEU 2150Cb 0.06 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 44.09 3hib s LEU 2150CO -0.06 0.12 0.00 -0.67 0.02 0.00 0.00 176.35 175.76 3hib n ASP 2151N 0.13 -3.88 -0.56 2.29 2.03 -1.26 -4.87 116.55 110.44 3hib n ASP 2151Ca -0.10 0.02 0.06 0.00 0.52 0.00 0.00 54.79 55.29 3hib n ASP 2151Cb 0.54 -1.44 0.10 0.00 -0.72 0.00 0.00 41.12 39.60 3hib n ASP 2151CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hib n ALA 2152N 1.01 2.33 -1.39 -1.67 0.00 -1.26 -5.02 120.51 114.51 3hib n ALA 2152Ca -0.01 -0.87 -0.31 0.00 0.00 0.00 0.00 53.44 52.26 3hib n ALA 2152Cb 0.15 -0.42 0.09 0.00 0.00 0.00 0.00 19.45 19.27 3hib n ALA 2152CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hib s ASP 2153N -0.98 4.62 0.03 0.00 1.01 -1.26 -4.71 116.67 115.39 3hib s ASP 2153Ca 0.19 1.63 -0.01 0.00 0.71 0.00 0.00 52.55 55.06 3hib s ASP 2153Cb 0.11 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 3hib s ASP 2153CO 0.15 -1.93 -0.01 -0.54 0.21 0.00 0.00 175.17 173.06 3hib s LYS 2154N -4.99 0.45 0.13 8.23 -0.14 -0.81 -5.01 119.74 117.61 3hib s LYS 2154Ca 0.60 -0.81 -0.21 0.00 -1.36 0.00 0.00 55.97 54.19 3hib s LYS 2154Cb -0.16 0.16 0.06 0.00 -1.68 0.00 0.00 37.83 36.21 3hib s LYS 2154CO 0.56 -0.09 0.53 -1.83 -0.76 0.00 0.00 175.35 173.76 3hib s GLU 2155N -2.40 1.18 -0.24 1.68 -1.05 -1.26 0.03 118.70 116.65 3hib s GLU 2155Ca -0.07 -0.51 -0.21 0.00 -0.15 0.00 0.00 54.97 54.02 3hib s GLU 2155Cb -0.03 0.54 0.06 0.00 -0.44 0.00 0.00 34.13 34.26 3hib s GLU 2155CO -0.04 -0.49 0.63 -0.48 0.95 0.00 0.00 175.26 175.82 3hib s LEU 2156N -2.66 -0.41 0.28 1.83 0.05 -0.64 -4.97 118.68 112.17 3hib s LEU 2156Ca 0.01 1.26 0.10 0.00 0.05 0.00 0.00 54.13 55.55 3hib s LEU 2156Cb 0.00 2.15 -0.04 0.00 -2.05 0.00 0.00 46.19 46.24 3hib s LEU 2156CO -0.11 -0.22 -0.00 -0.44 -0.55 0.00 0.00 176.35 175.03 3hib s SER 2157N 0.38 4.47 0.27 1.48 0.01 -1.26 0.01 113.70 119.07 3hib s SER 2157Ca -0.00 -0.71 -0.18 0.00 1.31 0.00 0.00 55.95 56.37 3hib s SER 2157Cb -0.04 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.42 3hib s SER 2157CO 0.00 -0.04 0.63 0.72 0.41 0.00 0.00 173.24 174.96 3hib s PHE 2158N -2.36 0.03 -0.16 2.43 -0.71 0.22 -4.96 117.98 112.46 3hib s PHE 2158Ca 0.32 -0.45 -0.03 0.00 -1.04 0.00 0.00 56.93 55.73 3hib s PHE 2158Cb -0.05 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.26 3hib s PHE 2158CO 0.20 -1.16 -0.05 -1.21 -1.34 0.00 0.00 175.22 171.65 3hib s GLU 2159N -3.90 3.57 0.10 1.99 2.02 -1.26 -0.63 118.70 120.58 3hib s GLU 2159Ca 0.15 -0.57 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 3hib s GLU 2159Cb -0.04 -2.89 -0.06 0.00 0.10 0.00 0.00 34.13 31.24 3hib s GLU 2159CO 0.08 0.16 0.48 0.96 0.02 0.00 0.00 175.26 176.95 3hib s ILE 2160N 0.57 4.96 -0.60 -1.63 -4.36 -0.54 -4.96 121.20 114.63 3hib s ILE 2160Ca -0.04 0.72 -0.00 0.00 -0.26 0.00 0.00 60.65 61.08 3hib s ILE 2160Cb -0.15 -3.71 0.45 0.00 1.25 0.00 0.00 42.46 40.30 3hib s ILE 2160CO 0.03 0.33 1.86 0.59 0.24 0.00 0.00 174.94 177.99 3hib n ASN 2161N 1.04 7.13 -2.51 4.36 5.03 -1.26 -2.13 115.26 126.93 3hib n ASN 2161Ca -0.08 -3.78 -0.00 0.00 0.87 0.00 0.00 54.58 51.59 3hib n ASN 2161Cb 0.52 -0.85 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 3hib n ASN 2161CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3hib n VAL 2162N -0.85-10.32 0.00 2.41 3.14 -1.24 -4.63 118.33 106.84 3hib n VAL 2162Ca 0.59 1.51 0.00 0.00 -2.96 0.00 0.00 64.34 63.48 3hib n VAL 2162Cb 0.70 -6.45 0.00 0.00 -1.06 0.00 0.00 33.84 27.03 3hib n VAL 2162CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66