#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3im2 n SER 1845N 0.00 3.27 -0.94 4.38 2.88 -1.26 -3.83 113.62 118.12 3im2 n SER 1845Ca 0.00 -2.09 -0.01 0.00 -1.33 0.00 0.00 58.87 55.44 3im2 n SER 1845Cb 0.00 -0.84 0.05 0.00 -0.75 0.00 0.00 64.21 62.67 3im2 n SER 1845CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3im2 n THR 1846N 3.04 0.86 -1.14 2.46 -2.24 -1.26 -4.96 114.28 111.04 3im2 n THR 1846Ca 0.28 -0.27 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 3im2 n THR 1846Cb 0.42 -0.66 0.12 0.00 -2.10 0.00 0.00 70.33 68.11 3im2 n THR 1846CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3im2 s LEU 1847N -0.49 3.10 -0.28 3.22 1.02 -1.25 -5.01 118.68 118.99 3im2 s LEU 1847Ca 0.09 2.21 -0.11 0.00 0.02 0.00 0.00 54.13 56.34 3im2 s LEU 1847Cb 0.07 -4.57 -0.05 0.00 0.02 0.00 0.00 46.19 41.67 3im2 s LEU 1847CO 0.02 -2.53 0.18 -0.55 0.02 0.00 0.00 176.35 173.49 3im2 s SER 1848N -2.49 5.94 0.25 2.29 0.15 -0.98 -4.99 113.70 113.87 3im2 s SER 1848Ca 0.69 -0.03 -0.05 0.00 0.70 0.00 0.00 55.95 57.26 3im2 s SER 1848Cb -0.25 -2.10 0.29 0.00 -1.71 0.00 0.00 66.02 62.25 3im2 s SER 1848CO 0.51 -0.05 1.85 -0.55 1.20 0.00 0.00 173.24 176.20 3im2 h ASN 1849N 8.36 1.00 0.28 5.45 7.08 -1.95 -2.73 115.58 133.07 3im2 h ASN 1849Ca -0.35 -0.12 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 3im2 h ASN 1849Cb 1.19 -0.26 0.00 0.00 -2.08 0.00 0.00 38.32 37.17 3im2 h ASN 1849CO 0.55 0.85 0.00 0.61 -2.08 0.00 0.00 177.43 177.36 3im2 n GLY 1850N -1.04 -0.77 1.59 9.14 0.00 -1.26 -2.55 105.19 110.30 3im2 n GLY 1850Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 3im2 n GLY 1850CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3im2 n LEU 1851N -1.47 5.24 -4.12 0.99 4.77 -1.03 -4.73 117.00 116.65 3im2 n LEU 1851Ca 0.02 -3.31 -0.34 0.00 -0.03 0.00 0.00 56.01 52.35 3im2 n LEU 1851Cb 0.10 -0.68 -0.14 0.00 -2.33 0.00 0.00 43.42 40.37 3im2 n LEU 1851CO 0.08 0.88 -0.34 -0.63 -1.33 0.00 0.00 177.39 176.06 3im2 s ILE 1852N -3.03 2.79 0.08 -0.08 1.01 -1.06 -2.97 121.20 117.95 3im2 s ILE 1852Ca 0.50 -1.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.38 3im2 s ILE 1852Cb 0.41 -2.73 -0.26 0.00 0.01 0.00 0.00 42.46 39.89 3im2 s ILE 1852CO 0.10 -0.27 1.17 0.00 0.00 0.00 0.00 174.94 175.94 3im2 h ALA 1853N 7.91 0.14 -1.27 9.38 0.00 -1.89 -3.48 119.26 130.05 3im2 h ALA 1853Ca -0.17 -0.80 -0.52 0.00 0.00 0.00 0.00 54.91 53.43 3im2 h ALA 1853Cb 1.05 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3im2 h ALA 1853CO 0.55 0.83 -0.36 -1.54 0.00 0.00 0.00 179.25 178.73 3im2 s SER 1854N -7.24 4.89 -0.18 0.00 1.04 -1.26 -4.30 113.70 106.66 3im2 s SER 1854Ca -0.06 -0.90 0.16 0.00 0.48 0.00 0.00 55.95 55.63 3im2 s SER 1854Cb 0.07 -0.29 0.40 0.00 0.10 0.00 0.00 66.02 66.30 3im2 s SER 1854CO 0.90 -0.78 1.28 1.41 0.98 0.00 0.00 173.24 177.02 3im2 n HIS 1855N -1.60 0.39 -2.16 5.02 -0.00 -1.26 -5.06 115.22 110.55 3im2 n HIS 1855Ca 0.03 -1.14 -0.38 0.00 -0.00 0.00 0.00 57.72 56.22 3im2 n HIS 1855Cb 0.63 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.99 30.35 3im2 n HIS 1855CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3im2 s TYR 1856N -2.98 2.88 0.07 4.41 2.02 -1.26 -5.04 117.35 117.45 3im2 s TYR 1856Ca 0.37 1.49 0.05 0.00 -0.37 0.00 0.00 57.07 58.61 3im2 s TYR 1856Cb 0.33 -3.52 -0.03 0.00 -0.40 0.00 0.00 41.96 38.34 3im2 s TYR 1856CO 0.02 -1.75 -0.14 0.20 -1.57 0.00 0.00 175.55 172.31 3im2 s GLY 1857N -1.02 0.87 0.32 0.71 0.00 -1.26 -4.85 107.32 102.09 3im2 s GLY 1857Ca 0.59 -1.00 -0.05 0.00 0.00 0.00 0.00 44.72 44.26 3im2 s GLY 1857CO 0.42 -1.03 0.46 -1.34 0.00 0.00 0.00 173.10 171.61 3im2 s VAL 1858N -1.29 0.00 0.69 1.40 -7.23 -1.26 -4.88 120.40 107.84 3im2 s VAL 1858Ca -0.02 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 3im2 s VAL 1858Cb -0.10 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.29 3im2 s VAL 1858CO 0.02 0.00 1.26 -0.94 -0.31 0.00 0.00 175.10 175.14 3im2 s SER 1859N -3.19 4.34 0.26 4.85 1.04 -1.26 -4.83 113.70 114.91 3im2 s SER 1859Ca 0.29 2.53 -0.03 0.00 0.48 0.00 0.00 55.95 59.22 3im2 s SER 1859Cb -0.00 -2.61 0.33 0.00 0.10 0.00 0.00 66.02 63.84 3im2 s SER 1859CO 0.18 -2.18 1.81 0.15 0.98 0.00 0.00 173.24 174.18 3im2 h PHE 1860N 0.13 0.96 -0.60 5.02 3.57 -2.01 -1.66 116.94 122.35 3im2 h PHE 1860Ca -0.49 -0.08 0.12 0.00 3.53 0.00 0.00 57.97 61.04 3im2 h PHE 1860Cb 1.32 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.69 3im2 h PHE 1860CO 0.43 0.78 0.07 0.35 -2.23 0.00 0.00 178.31 177.71 3im2 h PHE 1861N 0.90 0.10 -0.38 0.41 3.57 -2.00 0.59 116.94 120.13 3im2 h PHE 1861Ca 0.20 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3im2 h PHE 1861Cb 0.27 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3im2 h PHE 1861CO 0.02 -0.09 -0.14 1.15 -2.23 0.00 0.00 178.31 177.02 3im2 h THR 1862N 0.19 1.28 -0.26 4.41 2.02 -1.77 -1.74 112.91 117.04 3im2 h THR 1862Ca 0.31 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.26 3im2 h THR 1862Cb 0.49 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3im2 h THR 1862CO -0.45 0.42 0.10 0.40 0.37 0.00 0.00 175.52 176.36 3im2 h ILE 1863N 0.57 0.96 -0.52 3.11 2.04 -0.92 0.16 117.51 122.90 3im2 h ILE 1863Ca 0.09 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3im2 h ILE 1863Cb 0.68 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3im2 h ILE 1863CO 0.05 0.04 0.31 -0.61 0.00 0.00 0.00 178.15 177.94 3im2 h GLN 1864N 0.23 0.59 -0.44 2.37 -0.00 -0.83 -0.86 115.11 116.17 3im2 h GLN 1864Ca 0.11 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3im2 h GLN 1864Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 3im2 h GLN 1864CO -0.10 0.39 0.28 1.03 0.00 0.00 0.00 178.83 180.43 3im2 h SER 1865N 0.61 0.51 -0.30 -0.69 0.87 -1.04 -2.45 113.55 111.06 3im2 h SER 1865Ca 0.21 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3im2 h SER 1865Cb 0.04 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3im2 h SER 1865CO -0.10 0.39 0.10 -0.26 -0.53 0.00 0.00 176.83 176.42 3im2 h PHE 1866N 0.59 0.47 -0.94 2.24 -1.00 -0.40 -1.70 116.94 116.20 3im2 h PHE 1866Ca 0.16 -0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.97 3im2 h PHE 1866Cb -0.04 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.31 3im2 h PHE 1866CO -0.04 0.49 0.59 0.28 -1.61 0.00 0.00 178.31 178.02 3im2 h VAL 1867N 0.32 1.02 0.00 -0.55 2.07 -1.12 -1.59 116.25 116.41 3im2 h VAL 1867Ca 0.10 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3im2 h VAL 1867Cb 0.23 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3im2 h VAL 1867CO -0.00 0.19 0.00 0.77 0.02 0.00 0.00 177.57 178.55 3im2 h SER 1868N 1.04 0.00 0.24 0.57 4.64 -1.26 -3.33 113.55 115.44 3im2 h SER 1868Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3im2 h SER 1868Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3im2 h SER 1868CO -0.20 0.00 -1.36 -1.20 -0.87 0.00 0.00 176.83 173.20 3im2 n SER 1869N -3.07 0.49 -4.74 4.97 7.64 -0.66 -4.96 113.62 113.30 3im2 n SER 1869Ca 0.04 -0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.33 3im2 n SER 1869Cb 0.50 1.23 -0.08 0.00 -1.01 0.00 0.00 64.21 64.85 3im2 n SER 1869CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3im2 s LEU 1870N -4.06 3.74 0.33 -3.43 1.43 -0.66 -5.05 118.68 110.98 3im2 s LEU 1870Ca 0.00 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3im2 s LEU 1870Cb 0.14 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3im2 s LEU 1870CO 0.85 0.29 0.22 -0.94 0.23 0.00 0.00 176.35 177.01 3im2 s SER 1871N -1.55 1.68 0.00 2.29 1.04 -1.26 -4.93 113.70 110.97 3im2 s SER 1871Ca 0.20 -1.68 0.09 0.00 0.48 0.00 0.00 55.95 55.04 3im2 s SER 1871Cb -0.12 0.51 0.39 0.00 0.10 0.00 0.00 66.02 66.91 3im2 s SER 1871CO 0.11 -1.00 1.24 -0.46 0.98 0.00 0.00 173.24 174.11 3im2 n ASN 1872N -1.30 0.00 -0.54 7.02 6.94 -1.26 -2.58 115.26 123.55 3im2 n ASN 1872Ca 0.04 0.39 0.07 0.00 -0.02 0.00 0.00 54.58 55.05 3im2 n ASN 1872Cb 0.63 -0.43 0.06 0.00 -2.36 0.00 0.00 39.78 37.69 3im2 n ASN 1872CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3im2 n THR 1873N -1.43 0.07 -1.68 5.53 -2.24 -1.26 -4.75 114.28 108.53 3im2 n THR 1873Ca 0.03 -0.54 -0.44 0.00 -2.27 0.00 0.00 64.05 60.83 3im2 n THR 1873Cb 0.09 1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 69.51 3im2 n THR 1873CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3im2 n SER 1874N 0.73 2.77 -5.00 3.42 7.64 -1.06 -5.00 113.62 117.11 3im2 n SER 1874Ca 0.08 1.16 -0.18 0.00 1.01 0.00 0.00 58.87 60.94 3im2 n SER 1874Cb 0.34 -1.45 0.03 0.00 -1.01 0.00 0.00 64.21 62.12 3im2 n SER 1874CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3im2 s THR 1875N -0.36 2.76 0.21 0.44 -4.23 -1.26 -4.95 115.64 108.25 3im2 s THR 1875Ca 0.64 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 60.11 3im2 s THR 1875Cb -0.62 -2.82 0.14 0.00 1.34 0.00 0.00 72.50 70.54 3im2 s THR 1875CO 0.53 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.67 3im2 h LEU 1876N 0.44 0.55 -0.64 4.79 6.46 -1.95 -1.26 115.31 123.70 3im2 h LEU 1876Ca -0.38 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 3im2 h LEU 1876Cb 1.28 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 3im2 h LEU 1876CO 0.45 0.36 0.42 0.50 -0.62 0.00 0.00 178.44 179.54 3im2 h LYS 1877N 0.68 0.82 -0.59 1.25 3.64 -1.99 -0.79 116.57 119.58 3im2 h LYS 1877Ca 0.29 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3im2 h LYS 1877Cb 0.17 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3im2 h LYS 1877CO -0.18 0.54 0.35 -0.91 -2.27 0.00 0.00 179.45 176.99 3im2 h ASN 1878N 0.85 0.57 -0.31 4.20 -0.26 -1.82 -1.78 115.58 117.03 3im2 h ASN 1878Ca 0.24 0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.86 3im2 h ASN 1878Cb -0.07 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 3im2 h ASN 1878CO -0.07 0.39 -0.28 0.24 -1.06 0.00 0.00 177.43 176.66 3im2 h MET 1879N 0.69 0.81 -0.16 0.81 2.86 -0.82 0.27 114.93 119.40 3im2 h MET 1879Ca 0.24 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3im2 h MET 1879Cb 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3im2 h MET 1879CO -0.11 0.99 0.09 1.25 1.06 0.00 0.00 176.91 180.19 3im2 h LEU 1880N 0.70 0.19 -0.08 1.22 5.85 -1.01 0.09 115.31 122.27 3im2 h LEU 1880Ca 0.08 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3im2 h LEU 1880Cb 0.81 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3im2 h LEU 1880CO 0.07 0.20 -0.16 0.22 -0.34 0.00 0.00 178.44 178.44 3im2 h TYR 1881N 0.16 -0.40 -0.29 1.25 3.20 -1.17 -1.82 116.97 117.91 3im2 h TYR 1881Ca 0.06 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.98 3im2 h TYR 1881Cb 0.05 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3im2 h TYR 1881CO -0.05 -0.23 0.06 0.28 -1.64 0.00 0.00 178.16 176.59 3im2 h VAL 1882N -0.22 0.87 -1.00 1.81 2.07 -0.75 -1.17 116.25 117.87 3im2 h VAL 1882Ca 0.08 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.69 3im2 h VAL 1882Cb 0.33 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 3im2 h VAL 1882CO -0.21 0.03 0.62 0.25 0.02 0.00 0.00 177.57 178.28 3im2 h LEU 1883N 0.17 0.87 -0.86 2.57 6.46 -0.90 -1.82 115.31 121.79 3im2 h LEU 1883Ca 0.13 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3im2 h LEU 1883Cb 0.14 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3im2 h LEU 1883CO -0.17 0.41 0.00 0.28 -0.62 0.00 0.00 178.44 178.34 3im2 h SER 1884N 0.91 0.00 0.34 1.25 0.02 -0.32 -2.67 113.55 113.08 3im2 h SER 1884Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3im2 h SER 1884Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3im2 h SER 1884CO -0.31 0.00 -0.18 0.35 -1.14 0.00 0.00 176.83 175.55 3im2 n THR 1885N -2.35 0.00 -1.66 -2.27 -2.24 -0.69 -3.99 114.28 101.08 3im2 n THR 1885Ca 0.02 -0.08 -0.47 0.00 -2.27 0.00 0.00 64.05 61.24 3im2 n THR 1885Cb 0.22 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 3im2 n THR 1885CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3im2 n ALA 1886N -0.88 1.03 0.29 6.98 0.00 -1.01 -4.86 120.51 122.06 3im2 n ALA 1886Ca 0.13 0.42 0.19 0.00 0.00 0.00 0.00 53.44 54.18 3im2 n ALA 1886Cb 0.31 -2.35 0.98 0.00 0.00 0.00 0.00 19.45 18.40 3im2 n ALA 1886CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3im2 h VAL 1887N 3.93 0.23 -0.44 0.00 -1.51 -1.92 -2.18 116.25 114.36 3im2 h VAL 1887Ca -0.46 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.14 3im2 h VAL 1887Cb 1.27 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 3im2 h VAL 1887CO 0.89 0.00 0.38 -0.33 -1.23 0.00 0.00 177.57 177.28 3im2 h GLU 1888N 0.00 0.00 -0.00 5.19 3.07 -1.97 -1.43 114.58 119.44 3im2 h GLU 1888Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3im2 h GLU 1888Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3im2 h GLU 1888CO -0.00 0.00 -0.00 1.19 -1.40 0.00 0.00 179.01 178.80 3im2 n PHE 1889N -4.01 0.00 0.30 4.33 3.72 -0.82 -3.97 117.46 117.01 3im2 n PHE 1889Ca 0.08 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.67 3im2 n PHE 1889Cb 0.58 -0.16 0.96 0.00 -0.94 0.00 0.00 39.48 39.92 3im2 n PHE 1889CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3im2 h GLU 1890N 0.04 0.00 0.00 -1.08 5.08 -1.46 -0.40 114.58 116.76 3im2 h GLU 1890Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3im2 h GLU 1890Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3im2 h GLU 1890CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3im2 h SER 1891N 0.00 0.00 -3.28 1.42 4.64 -1.81 -3.45 113.55 111.07 3im2 h SER 1891Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3im2 h SER 1891Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3im2 h SER 1891CO 0.00 0.00 0.55 -0.69 -0.87 0.00 0.00 176.83 175.82 3im2 s VAL 1892N -3.25 3.93 0.36 0.95 1.01 -0.16 -4.99 120.40 118.26 3im2 s VAL 1892Ca 0.07 1.45 -0.28 0.00 0.00 0.00 0.00 61.98 63.22 3im2 s VAL 1892Cb 0.10 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 3im2 s VAL 1892CO 0.52 0.15 1.43 -2.65 0.00 0.00 0.00 175.10 174.55 3im2 n PRO 1893N 3.52 2.51 -3.71 2.72 -0.02 -1.26 -5.01 135.00 133.74 3im2 n PRO 1893Ca 0.07 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.15 3im2 n PRO 1893Cb 0.46 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 3im2 n PRO 1893CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3im2 s LEU 1894N -1.70 1.59 0.07 2.45 2.96 -1.26 -5.05 118.68 117.74 3im2 s LEU 1894Ca 0.54 -1.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.23 3im2 s LEU 1894Cb -0.51 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 3im2 s LEU 1894CO 0.63 -0.37 0.11 -0.13 -1.32 0.00 0.00 176.35 175.27 3im2 s ARG 1895N 1.77 3.03 0.21 1.98 0.52 -1.26 -5.04 118.95 120.16 3im2 s ARG 1895Ca 0.05 -0.61 -0.32 0.00 -0.52 0.00 0.00 55.73 54.32 3im2 s ARG 1895Cb -0.17 -2.81 -0.14 0.00 0.52 0.00 0.00 34.95 32.35 3im2 s ARG 1895CO -0.19 0.58 1.48 1.63 0.02 0.00 0.00 175.30 178.82 3im2 n LYS 1896N 0.48 2.08 0.00 3.54 5.02 -1.26 -1.28 118.16 126.74 3im2 n LYS 1896Ca -0.08 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3im2 n LYS 1896Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 3im2 n LYS 1896CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3im2 n GLY 1897N 2.64 3.13 0.27 0.72 0.00 -1.26 -4.95 105.19 105.74 3im2 n GLY 1897Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3im2 n GLY 1897CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3im2 h ASP 1898N 0.00 0.79 -0.20 1.61 3.32 -1.60 -2.26 116.42 118.09 3im2 h ASP 1898Ca 0.00 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.01 3im2 h ASP 1898Cb 0.00 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.30 3im2 h ASP 1898CO 0.00 0.65 -0.10 -0.09 -1.72 0.00 0.00 179.24 177.98 3im2 h ARG 1899N 0.88 -0.07 -0.66 3.56 2.43 -1.93 0.73 114.38 119.31 3im2 h ARG 1899Ca 0.23 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 3im2 h ARG 1899Cb 0.02 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 3im2 h ARG 1899CO -0.04 -0.05 0.42 0.00 -1.51 0.00 0.00 179.97 178.79 3im2 h ALA 1900N 1.09 0.86 -0.77 2.80 0.00 -1.94 -1.11 119.26 120.19 3im2 h ALA 1900Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3im2 h ALA 1900Cb 0.24 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3im2 h ALA 1900CO -0.25 0.20 0.36 -0.07 0.00 0.00 0.00 179.25 179.50 3im2 h LEU 1901N 0.84 1.02 -0.65 0.00 3.38 -1.09 -2.79 115.31 116.02 3im2 h LEU 1901Ca 0.26 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3im2 h LEU 1901Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3im2 h LEU 1901CO -0.09 0.88 -0.10 -0.07 0.09 0.00 0.00 178.44 179.15 3im2 h LEU 1902N 1.10 0.95 -0.56 1.67 3.38 -0.55 -1.67 115.31 119.63 3im2 h LEU 1902Ca 0.26 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3im2 h LEU 1902Cb 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3im2 h LEU 1902CO -0.03 1.06 0.28 0.58 0.09 0.00 0.00 178.44 180.43 3im2 h VAL 1903N 0.86 0.94 -0.13 1.22 2.07 -1.16 0.53 116.25 120.59 3im2 h VAL 1903Ca 0.14 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3im2 h VAL 1903Cb 0.64 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3im2 h VAL 1903CO 0.04 0.10 0.05 0.11 0.02 0.00 0.00 177.57 177.90 3im2 h LYS 1904N 0.54 0.20 -1.00 1.57 1.57 -1.28 -2.95 116.57 115.23 3im2 h LYS 1904Ca 0.25 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.13 3im2 h LYS 1904Cb 0.17 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 3im2 h LYS 1904CO -0.18 0.29 0.62 1.25 -0.57 0.00 0.00 179.45 180.87 3im2 h LEU 1905N 0.06 0.89 -2.86 2.94 5.85 -1.00 -2.71 115.31 118.48 3im2 h LEU 1905Ca 0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3im2 h LEU 1905Cb 0.17 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3im2 h LEU 1905CO -0.00 0.44 0.02 0.77 -0.34 0.00 0.00 178.44 179.33 3im2 h SER 1906N 0.94 0.00 -0.78 1.25 4.64 -0.71 -2.18 113.55 116.71 3im2 h SER 1906Ca 0.51 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 62.00 3im2 h SER 1906Cb 0.58 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 3im2 h SER 1906CO -0.29 0.00 0.52 0.50 -0.87 0.00 0.00 176.83 176.69 3im2 h LYS 1907N 0.00 0.37 -0.47 4.77 1.63 -1.55 -1.97 116.57 119.34 3im2 h LYS 1907Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3im2 h LYS 1907Cb 0.04 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3im2 h LYS 1907CO -0.00 0.24 0.00 0.54 -3.45 0.00 0.00 179.45 176.78 3im2 n ARG 1908N -4.47 2.37 -4.47 1.90 1.74 -0.82 -4.93 116.66 107.97 3im2 n ARG 1908Ca 0.15 -2.10 -0.33 0.00 -0.77 0.00 0.00 57.85 54.80 3im2 n ARG 1908Cb 0.58 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 3im2 n ARG 1908CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3im2 s LEU 1909N -1.27 3.30 0.22 0.55 1.43 -0.74 -5.05 118.68 117.10 3im2 s LEU 1909Ca 0.39 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 3im2 s LEU 1909Cb 0.22 -1.81 0.17 0.00 0.03 0.00 0.00 46.19 44.79 3im2 s LEU 1909CO 0.29 0.33 1.50 1.55 0.23 0.00 0.00 176.35 180.25 3im2 h PRO 1910N 4.85 0.11 -5.25 1.29 0.13 -1.92 -3.45 132.00 127.77 3im2 h PRO 1910Ca -0.49 -0.10 -0.63 0.00 -0.87 0.00 0.00 66.00 63.91 3im2 h PRO 1910Cb 1.17 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 3im2 h PRO 1910CO 0.54 0.79 -0.61 -0.51 -0.23 0.00 0.00 178.00 177.98 3im2 s LEU 1911N -7.54 3.53 0.27 1.56 1.43 -1.26 -5.10 118.68 111.57 3im2 s LEU 1911Ca -0.02 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.79 3im2 s LEU 1911Cb 0.11 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 3im2 s LEU 1911CO 0.80 0.15 0.86 -0.13 0.23 0.00 0.00 176.35 178.25 3im2 s ARG 1912N 0.52 4.51 0.38 1.70 0.52 -1.26 -5.02 118.95 120.30 3im2 s ARG 1912Ca 0.00 1.19 -0.28 0.00 -0.52 0.00 0.00 55.73 56.12 3im2 s ARG 1912Cb -0.13 -2.92 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 3im2 s ARG 1912CO 0.02 0.37 1.49 0.12 0.02 0.00 0.00 175.30 177.32 3im2 s PHE 1913N -1.49 2.59 0.21 -0.53 5.36 -1.26 -4.92 117.98 117.94 3im2 s PHE 1913Ca 0.45 1.16 -0.30 0.00 -0.96 0.00 0.00 56.93 57.29 3im2 s PHE 1913Cb -0.19 -4.03 -0.16 0.00 -0.34 0.00 0.00 43.02 38.30 3im2 s PHE 1913CO 0.24 -3.00 0.85 -2.30 -1.46 0.00 0.00 175.22 169.54 3im2 n PRO 1914N 0.48 0.69 0.34 10.12 -0.02 -1.26 -4.92 135.00 140.43 3im2 n PRO 1914Ca 0.01 0.24 -0.18 0.00 -2.02 0.00 0.00 63.50 61.56 3im2 n PRO 1914Cb 0.39 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.28 3im2 n PRO 1914CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3im2 h GLU 1915N 1.91 -0.93 -1.80 -0.52 5.08 -2.03 -3.25 114.58 113.05 3im2 h GLU 1915Ca -0.36 0.06 -0.74 0.00 -1.00 0.00 0.00 59.36 57.32 3im2 h GLU 1915Cb 1.39 0.21 -0.29 0.00 0.50 0.00 0.00 28.75 30.56 3im2 h GLU 1915CO 0.61 -0.62 0.86 0.72 -1.00 0.00 0.00 179.01 179.58 3im2 n HIS 1916N -5.53 3.05 -4.34 4.33 8.25 -1.26 -4.91 115.22 114.81 3im2 n HIS 1916Ca -0.13 -2.49 -0.20 0.00 -0.26 0.00 0.00 57.72 54.64 3im2 n HIS 1916Cb 0.42 -1.12 -0.16 0.00 1.12 0.00 0.00 29.99 30.26 3im2 n HIS 1916CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3im2 s THR 1917N -5.08 0.74 0.23 1.59 2.01 -1.23 -5.12 115.64 108.78 3im2 s THR 1917Ca 0.53 -0.30 -0.32 0.00 0.31 0.00 0.00 61.69 61.92 3im2 s THR 1917Cb 0.45 -0.68 -0.12 0.00 0.01 0.00 0.00 72.50 72.15 3im2 s THR 1917CO -0.34 0.25 1.69 -0.55 -0.69 0.00 0.00 174.62 174.98 3im2 s SER 1918N 0.43 6.38 -0.03 3.53 0.15 -1.26 -4.90 113.70 117.99 3im2 s SER 1918Ca -0.07 2.88 0.11 0.00 0.70 0.00 0.00 55.95 59.57 3im2 s SER 1918Cb -0.11 -2.61 0.36 0.00 -1.71 0.00 0.00 66.02 61.96 3im2 s SER 1918CO 0.01 -0.96 1.25 -1.20 1.20 0.00 0.00 173.24 173.54 3im2 n SER 1919N 3.59 2.40 -0.51 5.45 7.64 -1.26 -4.48 113.62 126.46 3im2 n SER 1919Ca 0.14 -2.12 0.12 0.00 1.01 0.00 0.00 58.87 58.02 3im2 n SER 1919Cb 0.36 -0.34 0.45 0.00 -1.01 0.00 0.00 64.21 63.67 3im2 n SER 1919CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3im2 n GLY 1920N 0.91 0.13 3.77 0.23 0.00 -1.26 -4.75 105.19 104.22 3im2 n GLY 1920Ca 0.13 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3im2 n GLY 1920CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3im2 s SER 1921N -1.76 4.35 0.57 1.61 1.04 -1.26 -5.03 113.70 113.22 3im2 s SER 1921Ca 0.35 -1.27 0.30 0.00 0.48 0.00 0.00 55.95 55.81 3im2 s SER 1921Cb 0.19 -0.04 1.72 0.00 0.10 0.00 0.00 66.02 67.99 3im2 s SER 1921CO 0.30 -0.73 2.19 1.62 0.98 0.00 0.00 173.24 177.59 3im2 h VAL 1922N 1.29 0.49 -0.91 5.02 3.04 -1.94 -2.58 116.25 120.66 3im2 h VAL 1922Ca -0.42 -0.22 0.13 0.00 -1.01 0.00 0.00 66.70 65.18 3im2 h VAL 1922Cb 1.28 1.14 -0.07 0.00 -2.01 0.00 0.00 31.29 31.63 3im2 h VAL 1922CO 0.69 0.05 0.59 0.77 -1.01 0.00 0.00 177.57 178.65 3im2 h SER 1923N 0.00 0.74 -0.33 3.17 4.64 -1.96 -0.76 113.55 119.04 3im2 h SER 1923Ca -0.00 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3im2 h SER 1923Cb 0.14 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3im2 h SER 1923CO 0.01 0.39 0.15 0.15 -0.87 0.00 0.00 176.83 176.66 3im2 h PHE 1924N 0.79 0.28 -0.60 4.77 3.57 -1.75 -0.71 116.94 123.29 3im2 h PHE 1924Ca 0.45 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.96 3im2 h PHE 1924Cb 0.61 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3im2 h PHE 1924CO -0.00 0.14 0.34 -0.22 -2.23 0.00 0.00 178.31 176.34 3im2 h LYS 1925N 0.32 0.83 -0.17 1.11 3.64 -1.40 -2.83 116.57 118.07 3im2 h LYS 1925Ca 0.14 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3im2 h LYS 1925Cb 0.07 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3im2 h LYS 1925CO -0.11 0.62 -0.04 0.28 -2.27 0.00 0.00 179.45 177.92 3im2 h VAL 1926N 0.81 1.29 -0.58 2.00 2.07 -0.90 -0.55 116.25 120.39 3im2 h VAL 1926Ca 0.21 -1.01 0.08 0.00 0.82 0.00 0.00 66.70 66.80 3im2 h VAL 1926Cb 0.02 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3im2 h VAL 1926CO -0.04 0.30 0.23 0.15 0.02 0.00 0.00 177.57 178.24 3im2 h PHE 1927N 0.03 0.41 0.14 1.57 3.57 -1.16 -2.25 116.94 119.25 3im2 h PHE 1927Ca 0.04 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 3im2 h PHE 1927Cb 0.48 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 39.14 3im2 h PHE 1927CO 0.05 0.13 -0.92 -0.07 -2.23 0.00 0.00 178.31 175.27 3im2 h LEU 1928N 0.43 0.48 -1.02 0.59 3.38 -1.45 -3.20 115.31 114.52 3im2 h LEU 1928Ca 0.28 -0.94 -0.06 0.00 0.09 0.00 0.00 57.88 57.26 3im2 h LEU 1928Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3im2 h LEU 1928CO -0.27 1.44 0.09 -0.07 0.09 0.00 0.00 178.44 179.72 3im2 h LEU 1929N -0.34 0.74 -1.24 1.67 3.38 -1.12 -1.25 115.31 117.16 3im2 h LEU 1929Ca -0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3im2 h LEU 1929Cb 1.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 3im2 h LEU 1929CO 0.15 0.76 0.36 -0.07 0.09 0.00 0.00 178.44 179.72 3im2 h LEU 1930N 0.76 0.78 -0.52 1.67 3.38 -1.53 -0.29 115.31 119.55 3im2 h LEU 1930Ca 0.16 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 3im2 h LEU 1930Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3im2 h LEU 1930CO 0.00 0.63 -0.32 1.56 0.09 0.00 0.00 178.44 180.40 3im2 h GLN 1931N 0.89 0.85 -0.46 1.13 4.20 -1.40 -1.84 115.11 118.48 3im2 h GLN 1931Ca 0.23 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3im2 h GLN 1931Cb 0.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3im2 h GLN 1931CO -0.04 1.05 0.20 0.00 -0.67 0.00 0.00 178.83 179.36 3im2 h ALA 1932N 0.92 1.48 0.33 3.87 0.00 -0.89 0.20 119.26 125.16 3im2 h ALA 1932Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3im2 h ALA 1932Cb 0.88 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3im2 h ALA 1932CO 0.08 0.40 -0.16 -0.92 0.00 0.00 0.00 179.25 178.66 3im2 h TYR 1933N 0.65 -0.41 -0.98 0.00 3.20 -0.88 0.12 116.97 118.67 3im2 h TYR 1933Ca 0.16 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3im2 h TYR 1933Cb 0.11 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3im2 h TYR 1933CO 0.01 -0.19 0.64 0.74 -1.64 0.00 0.00 178.16 177.71 3im2 h PHE 1934N -0.53 1.18 0.00 -3.82 0.04 -1.07 -2.27 116.94 110.48 3im2 h PHE 1934Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3im2 h PHE 1934Cb 0.39 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3im2 h PHE 1934CO -0.03 0.64 0.00 0.43 -0.60 0.00 0.00 178.31 178.75 3im2 n SER 1935N -4.49 0.53 -3.63 2.17 7.64 0.03 -3.12 113.62 112.75 3im2 n SER 1935Ca 0.14 0.57 -0.25 0.00 1.01 0.00 0.00 58.87 60.34 3im2 n SER 1935Cb 0.14 -0.70 0.07 0.00 -1.01 0.00 0.00 64.21 62.71 3im2 n SER 1935CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3im2 n ARG 1936N -2.02 -7.75 -2.27 1.43 1.74 -0.09 -4.98 116.66 102.72 3im2 n ARG 1936Ca 0.05 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.53 3im2 n ARG 1936Cb 0.35 -5.85 -0.03 0.00 -1.02 0.00 0.00 32.46 25.91 3im2 n ARG 1936CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3im2 s LEU 1937N -7.31 4.47 0.12 0.55 1.43 -0.49 -5.01 118.68 112.45 3im2 s LEU 1937Ca 0.60 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.89 3im2 s LEU 1937Cb -0.27 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 3im2 s LEU 1937CO 0.74 -0.38 1.43 -1.61 0.23 0.00 0.00 176.35 176.76 3im2 s GLU 1938N -1.67 4.30 0.16 1.70 0.41 -1.26 -4.84 118.70 117.49 3im2 s GLU 1938Ca 0.47 2.13 0.08 0.00 -0.41 0.00 0.00 54.97 57.24 3im2 s GLU 1938Cb -0.36 -3.25 -0.04 0.00 -1.78 0.00 0.00 34.13 28.70 3im2 s GLU 1938CO 0.48 -0.48 -0.06 -0.51 -0.49 0.00 0.00 175.26 174.20 3im2 s LEU 1939N 1.18 3.12 0.39 1.80 1.43 -1.26 -5.10 118.68 120.24 3im2 s LEU 1939Ca 0.66 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.04 3im2 s LEU 1939Cb -0.38 -1.81 -0.11 0.00 0.03 0.00 0.00 46.19 43.91 3im2 s LEU 1939CO 0.30 0.11 0.96 -2.65 0.23 0.00 0.00 176.35 175.31 3im2 n PRO 1940N 0.12 1.27 -0.31 1.29 -0.02 -1.26 -4.72 135.00 131.37 3im2 n PRO 1940Ca -0.11 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 3im2 n PRO 1940Cb 0.55 -1.95 0.23 0.00 -0.02 0.00 0.00 33.50 32.31 3im2 n PRO 1940CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3im2 h VAL 1941N 1.55 0.78 -0.72 -1.45 2.07 -1.99 0.09 116.25 116.57 3im2 h VAL 1941Ca -0.43 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3im2 h VAL 1941Cb 1.34 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3im2 h VAL 1941CO 0.57 0.13 0.29 0.44 0.02 0.00 0.00 177.57 179.02 3im2 h ASP 1942N 0.72 0.98 0.45 0.57 3.32 -2.00 -1.03 116.42 119.42 3im2 h ASP 1942Ca 0.47 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 57.24 3im2 h ASP 1942Cb 0.62 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3im2 h ASP 1942CO -0.34 0.87 -0.60 -0.26 -1.72 0.00 0.00 179.24 177.19 3im2 h PHE 1943N 1.05 0.20 -0.75 4.55 0.04 -1.59 -2.46 116.94 117.98 3im2 h PHE 1943Ca 0.24 -0.08 0.04 0.00 2.80 0.00 0.00 57.97 60.98 3im2 h PHE 1943Cb 0.19 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 3im2 h PHE 1943CO 0.02 0.72 0.46 1.96 -0.60 0.00 0.00 178.31 180.87 3im2 h GLN 1944N 0.11 0.86 -0.36 1.51 4.20 -0.44 -0.60 115.11 120.40 3im2 h GLN 1944Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3im2 h GLN 1944Cb 1.09 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 3im2 h GLN 1944CO 0.09 0.57 0.21 -0.91 -0.67 0.00 0.00 178.83 178.12 3im2 h ASN 1945N 0.89 0.43 -0.24 1.46 2.35 -1.02 -2.36 115.58 117.09 3im2 h ASN 1945Ca 0.31 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 3im2 h ASN 1945Cb 0.06 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3im2 h ASN 1945CO -0.13 0.36 -0.09 0.44 -1.65 0.00 0.00 177.43 176.36 3im2 h ASP 1946N 0.46 0.60 -0.57 5.81 3.32 -1.27 -2.68 116.42 122.09 3im2 h ASP 1946Ca 0.13 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3im2 h ASP 1946Cb 0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3im2 h ASP 1946CO -0.02 0.73 0.12 0.25 -1.72 0.00 0.00 179.24 178.59 3im2 h LEU 1947N 0.57 0.89 -0.57 1.55 5.85 -0.97 -0.37 115.31 122.25 3im2 h LEU 1947Ca 0.11 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3im2 h LEU 1947Cb 0.49 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3im2 h LEU 1947CO 0.03 0.91 0.33 0.50 -0.34 0.00 0.00 178.44 179.86 3im2 h LYS 1948N 0.83 0.62 -0.98 1.25 3.64 -1.18 0.17 116.57 120.93 3im2 h LYS 1948Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3im2 h LYS 1948Cb 0.38 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3im2 h LYS 1948CO 0.01 0.41 0.62 -0.44 -2.27 0.00 0.00 179.45 177.77 3im2 h ASP 1949N 0.64 1.14 0.17 4.20 3.32 -1.15 -2.40 116.42 122.33 3im2 h ASP 1949Ca 0.24 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3im2 h ASP 1949Cb 0.09 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3im2 h ASP 1949CO -0.13 0.85 -0.08 0.40 -1.72 0.00 0.00 179.24 178.56 3im2 h ILE 1950N 1.33 0.91 -0.10 0.35 2.04 -0.64 -3.17 117.51 118.24 3im2 h ILE 1950Ca 0.35 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3im2 h ILE 1950Cb -0.11 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3im2 h ILE 1950CO -0.07 0.09 0.10 -0.07 0.00 0.00 0.00 178.15 178.20 3im2 h LEU 1951N -0.43 0.00 -2.32 1.44 3.38 -0.84 -0.34 115.31 116.20 3im2 h LEU 1951Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3im2 h LEU 1951Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3im2 h LEU 1951CO 0.04 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.45 3im2 h GLU 1952N 0.00 0.00 0.00 1.13 4.81 -1.40 -3.14 114.58 115.98 3im2 h GLU 1952Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3im2 h GLU 1952Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3im2 h GLU 1952CO -0.00 0.04 -1.94 1.63 -0.73 0.00 0.00 179.01 178.00 3im2 n LYS 1953N -3.37 0.62 -0.05 1.92 5.02 -0.15 -4.76 118.16 117.39 3im2 n LYS 1953Ca -0.02 -0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 3im2 n LYS 1953Cb 0.16 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.75 3im2 n LYS 1953CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3im2 h VAL 1954N 0.00 1.29 0.29 -0.18 -1.51 -1.49 -3.23 116.25 111.42 3im2 h VAL 1954Ca 0.00 -1.54 -0.01 0.00 -1.23 0.00 0.00 66.70 63.92 3im2 h VAL 1954Cb 0.95 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3im2 h VAL 1954CO 0.00 0.50 -0.14 0.58 -1.23 0.00 0.00 177.57 177.28 3im2 h VAL 1955N 0.58 0.73 -0.97 7.19 2.07 -1.86 -0.70 116.25 123.28 3im2 h VAL 1955Ca 0.05 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3im2 h VAL 1955Cb 0.90 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 3im2 h VAL 1955CO 0.08 0.03 0.62 -0.65 0.02 0.00 0.00 177.57 177.67 3im2 h PRO 1956N -0.46 1.08 -0.28 1.57 0.11 -1.92 -2.38 132.00 129.73 3im2 h PRO 1956Ca -0.04 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3im2 h PRO 1956Cb 0.35 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3im2 h PRO 1956CO 0.07 0.72 0.06 -0.07 -0.21 0.00 0.00 178.00 178.56 3im2 h LEU 1957N 1.11 0.43 -0.95 2.35 3.38 -1.50 -2.17 115.31 117.97 3im2 h LEU 1957Ca 0.43 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3im2 h LEU 1957Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3im2 h LEU 1957CO -0.18 0.57 -0.35 -0.29 0.09 0.00 0.00 178.44 178.27 3im2 h ILE 1958N 0.28 1.29 -0.26 1.22 6.09 -1.06 -2.20 117.51 122.87 3im2 h ILE 1958Ca 0.09 -1.41 -0.09 0.00 -1.37 0.00 0.00 64.86 62.08 3im2 h ILE 1958Cb 0.31 1.56 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 3im2 h ILE 1958CO 0.00 0.43 -0.21 0.78 -3.07 0.00 0.00 178.15 176.08 3im2 h ASN 1959N 0.28 0.46 -0.44 2.19 2.35 -1.31 -1.85 115.58 117.25 3im2 h ASN 1959Ca 0.03 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 3im2 h ASN 1959Cb 0.76 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3im2 h ASN 1959CO 0.06 0.68 -0.13 0.58 -1.65 0.00 0.00 177.43 176.97 3im2 h VAL 1960N 0.42 1.27 -0.11 2.81 2.07 -1.03 -1.51 116.25 120.16 3im2 h VAL 1960Ca 0.07 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3im2 h VAL 1960Cb 0.60 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3im2 h VAL 1960CO 0.04 0.44 0.07 0.58 0.02 0.00 0.00 177.57 178.72 3im2 h VAL 1961N 0.82 1.05 -0.50 2.57 2.07 -1.09 -0.82 116.25 120.34 3im2 h VAL 1961Ca 0.13 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3im2 h VAL 1961Cb 0.66 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3im2 h VAL 1961CO 0.05 0.04 0.12 0.58 0.02 0.00 0.00 177.57 178.38 3im2 h VAL 1962N 0.13 0.74 -0.65 2.57 2.07 -1.24 -2.35 116.25 117.53 3im2 h VAL 1962Ca 0.04 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3im2 h VAL 1962Cb 0.01 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3im2 h VAL 1962CO -0.01 0.05 0.07 0.44 0.02 0.00 0.00 177.57 178.14 3im2 h ASP 1963N 0.26 1.07 -0.02 0.57 3.32 -0.96 -0.61 116.42 120.05 3im2 h ASP 1963Ca 0.25 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3im2 h ASP 1963Cb 0.32 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3im2 h ASP 1963CO -0.31 1.07 0.01 0.40 -1.72 0.00 0.00 179.24 178.69 3im2 h ILE 1964N 1.02 1.11 -0.57 0.35 2.04 -1.03 -1.22 117.51 119.21 3im2 h ILE 1964Ca 0.19 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3im2 h ILE 1964Cb 0.48 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3im2 h ILE 1964CO 0.02 0.09 0.23 -0.07 0.00 0.00 0.00 178.15 178.42 3im2 h LEU 1965N -0.10 0.78 -0.84 1.44 3.38 -1.29 -2.97 115.31 115.70 3im2 h LEU 1965Ca 0.01 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 3im2 h LEU 1965Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3im2 h LEU 1965CO -0.00 0.73 -0.45 0.77 0.09 0.00 0.00 178.44 179.58 3im2 h SER 1966N 0.78 0.31 0.47 -0.43 4.64 -1.12 -1.57 113.55 116.62 3im2 h SER 1966Ca 0.19 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3im2 h SER 1966Cb 0.19 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3im2 h SER 1966CO -0.02 0.72 -0.08 0.00 -0.87 0.00 0.00 176.83 176.58 3im2 h ALA 1967N 1.29 1.16 -0.00 5.18 0.00 -1.10 -1.36 119.26 124.43 3im2 h ALA 1967Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3im2 h ALA 1967Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3im2 h ALA 1967CO 0.07 0.10 -0.29 0.09 0.00 0.00 0.00 179.25 179.23 3im2 n ASN 1968N -3.42 0.67 -0.48 0.00 3.02 -0.95 -2.32 115.26 111.78 3im2 n ASN 1968Ca -0.01 -0.53 -0.06 0.00 -0.03 0.00 0.00 54.58 53.95 3im2 n ASN 1968Cb 0.23 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3im2 n ASN 1968CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3im2 n GLY 1969N 1.39 0.67 3.66 7.41 0.00 -0.51 -5.00 105.19 112.82 3im2 n GLY 1969Ca 0.10 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 3im2 n GLY 1969CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3im2 s TYR 1970N -2.22 3.39 0.23 1.61 2.02 -0.63 -0.97 117.35 120.78 3im2 s TYR 1970Ca 0.00 0.97 0.36 0.00 -0.37 0.00 0.00 57.07 58.03 3im2 s TYR 1970Cb 0.00 -2.81 1.61 0.00 -0.40 0.00 0.00 41.96 40.36 3im2 s TYR 1970CO 0.00 -0.16 2.08 1.25 -1.57 0.00 0.00 175.55 177.14 3im2 h LEU 1971N 8.11 0.00 0.00 -1.29 5.85 -1.76 -2.46 115.31 123.76 3im2 h LEU 1971Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3im2 h LEU 1971Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3im2 h LEU 1971CO 0.78 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 178.42 3im2 n ASN 1972N -3.10 0.00 -0.22 1.25 6.94 -1.26 -1.79 115.26 117.07 3im2 n ASN 1972Ca -0.00 -0.39 0.25 0.00 -0.02 0.00 0.00 54.58 54.42 3im2 n ASN 1972Cb 0.25 -0.00 0.63 0.00 -2.36 0.00 0.00 39.78 38.29 3im2 n ASN 1972CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3im2 h ALA 1973N 2.79 2.56 0.00 -2.53 0.00 -1.75 -1.21 119.26 119.12 3im2 h ALA 1973Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3im2 h ALA 1973Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3im2 h ALA 1973CO 0.00 -0.85 -0.23 1.79 0.00 0.00 0.00 179.25 179.96 3im2 h THR 1974N 0.19 0.84 -0.44 0.00 1.35 -1.63 -2.34 112.91 110.87 3im2 h THR 1974Ca 0.47 -0.91 -0.10 0.00 -0.55 0.00 0.00 66.41 65.32 3im2 h THR 1974Cb 1.52 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 3im2 h THR 1974CO -0.10 0.23 -0.13 0.74 -0.25 0.00 0.00 175.52 176.01 3im2 h THR 1975N 0.00 1.27 -0.29 6.82 2.02 -1.44 -2.59 112.91 118.71 3im2 h THR 1975Ca -0.00 -1.26 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 3im2 h THR 1975Cb 0.52 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3im2 h THR 1975CO 0.03 0.43 -0.07 0.00 0.37 0.00 0.00 175.52 176.28 3im2 h ALA 1976N 0.86 1.34 -0.76 6.16 0.00 -1.42 -2.63 119.26 122.81 3im2 h ALA 1976Ca 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3im2 h ALA 1976Cb 0.68 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3im2 h ALA 1976CO 0.05 0.45 0.39 0.52 0.00 0.00 0.00 179.25 180.65 3im2 h MET 1977N 0.45 1.07 -0.00 0.00 2.86 -1.25 0.20 114.93 118.26 3im2 h MET 1977Ca 0.09 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 3im2 h MET 1977Cb 0.40 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3im2 h MET 1977CO 0.02 0.81 -0.77 0.38 1.06 0.00 0.00 176.91 178.41 3im2 h ASP 1978N 1.07 0.01 -0.66 1.22 3.04 -1.21 -1.98 116.42 117.91 3im2 h ASP 1978Ca 0.26 -0.01 -0.04 0.00 -3.24 0.00 0.00 57.03 54.01 3im2 h ASP 1978Cb 0.07 -0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.33 3im2 h ASP 1978CO -0.04 0.77 0.24 0.25 -2.04 0.00 0.00 179.24 178.42 3im2 h LEU 1979N 0.00 0.93 -0.57 0.15 5.85 -1.25 -2.74 115.31 117.69 3im2 h LEU 1979Ca -0.01 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.59 3im2 h LEU 1979Cb 1.36 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3im2 h LEU 1979CO 0.10 0.87 0.25 0.00 -0.34 0.00 0.00 178.44 179.32 3im2 h ALA 1980N 1.10 0.73 -0.61 1.25 0.00 -0.66 -1.60 119.26 119.46 3im2 h ALA 1980Ca 0.22 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3im2 h ALA 1980Cb 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3im2 h ALA 1980CO -0.01 -0.13 0.36 1.96 0.00 0.00 0.00 179.25 181.42 3im2 h GLN 1981N 0.46 0.67 -0.51 0.00 4.20 -1.32 -2.78 115.11 115.84 3im2 h GLN 1981Ca 0.27 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.89 3im2 h GLN 1981Cb 0.26 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3im2 h GLN 1981CO -0.23 0.44 0.10 0.52 -0.67 0.00 0.00 178.83 178.99 3im2 h MET 1982N 0.69 0.79 0.00 1.46 2.86 -1.14 -2.24 114.93 117.35 3im2 h MET 1982Ca 0.26 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3im2 h MET 1982Cb 0.09 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3im2 h MET 1982CO -0.14 0.73 -0.25 -0.07 1.06 0.00 0.00 176.91 178.24 3im2 h LEU 1983N 0.76 0.00 0.14 1.22 3.38 -1.04 0.04 115.31 119.81 3im2 h LEU 1983Ca 0.16 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 3im2 h LEU 1983Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3im2 h LEU 1983CO 0.00 0.25 -1.44 0.40 0.09 0.00 0.00 178.44 177.75 3im2 h ILE 1984N 0.00 1.06 0.00 1.22 1.08 -1.26 -3.40 117.51 116.21 3im2 h ILE 1984Ca -0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 3im2 h ILE 1984Cb 0.50 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 3im2 h ILE 1984CO 0.03 0.74 -0.92 0.00 -0.69 0.00 0.00 178.15 177.32 3im2 n GLN 1985N -3.86 0.33 -3.15 2.37 1.13 -0.88 -3.82 117.38 109.49 3im2 n GLN 1985Ca -0.24 0.03 -0.14 0.00 -1.94 0.00 0.00 57.00 54.72 3im2 n GLN 1985Cb 0.94 -1.64 0.07 0.00 0.11 0.00 0.00 30.24 29.72 3im2 n GLN 1985CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3im2 n GLY 1986N 1.34 -0.21 3.16 1.08 0.00 -0.00 -4.65 105.19 105.90 3im2 n GLY 1986Ca 0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3im2 n GLY 1986CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3im2 s VAL 1987N -3.29 0.44 0.15 1.61 -7.23 -1.23 -4.51 120.40 106.34 3im2 s VAL 1987Ca 0.01 -1.91 -0.25 0.00 -1.81 0.00 0.00 61.98 58.02 3im2 s VAL 1987Cb -0.00 -1.81 -0.08 0.00 0.56 0.00 0.00 36.38 35.05 3im2 s VAL 1987CO 0.59 -0.73 0.78 0.26 -0.31 0.00 0.00 175.10 175.69 3im2 s TRP 1988N -3.80 3.89 0.30 2.82 0.52 -1.18 -4.63 118.94 116.87 3im2 s TRP 1988Ca 0.16 1.62 0.31 0.00 0.02 0.00 0.00 56.10 58.22 3im2 s TRP 1988Cb 0.07 -2.78 1.71 0.00 -1.15 0.00 0.00 33.47 31.32 3im2 s TRP 1988CO -0.03 0.49 1.95 0.38 0.02 0.00 0.00 176.95 179.76 3im2 h ASP 1989N 4.46 0.00 0.14 2.95 3.04 -1.96 -1.43 116.42 123.63 3im2 h ASP 1989Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 3im2 h ASP 1989Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3im2 h ASP 1989CO 0.66 0.00 -0.43 1.33 -2.04 0.00 0.00 179.24 178.76 3im2 n VAL 1990N -2.66 0.00 -2.56 4.15 0.24 -1.26 -4.97 118.33 111.27 3im2 n VAL 1990Ca -0.02 -0.15 -0.22 0.00 -2.04 0.00 0.00 64.34 61.90 3im2 n VAL 1990Cb 0.13 0.76 0.05 0.00 -1.47 0.00 0.00 33.84 33.32 3im2 n VAL 1990CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3im2 s ASP 1991N -2.58 5.03 0.00 -1.34 1.01 -0.54 -5.00 116.67 113.24 3im2 s ASP 1991Ca 0.19 -0.00 -0.30 0.00 0.71 0.00 0.00 52.55 53.15 3im2 s ASP 1991Cb 0.18 -0.75 -0.08 0.00 1.01 0.00 0.00 42.92 43.29 3im2 s ASP 1991CO 0.59 -1.35 1.89 0.21 0.21 0.00 0.00 175.17 176.71 3im2 s ASN 1992N -4.50 6.48 0.57 0.27 3.84 -1.26 -4.89 114.94 115.45 3im2 s ASN 1992Ca 0.59 2.52 0.31 0.00 0.21 0.00 0.00 52.86 56.50 3im2 s ASN 1992Cb -0.09 -2.53 1.71 0.00 -0.55 0.00 0.00 41.25 39.79 3im2 s ASN 1992CO 0.40 -1.05 2.17 1.55 -2.79 0.00 0.00 177.10 177.38 3im2 h PRO 1993N 10.44 0.00 0.00 0.43 0.13 -1.91 -1.72 132.00 139.38 3im2 h PRO 1993Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3im2 h PRO 1993Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3im2 h PRO 1993CO 0.95 0.06 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.70 3im2 h LEU 1994N 0.00 0.00 -2.15 1.56 3.38 -1.90 -2.50 115.31 113.69 3im2 h LEU 1994Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3im2 h LEU 1994Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3im2 h LEU 1994CO 0.01 0.00 0.29 -0.09 0.09 0.00 0.00 178.44 178.74 3im2 h ARG 1995N 0.00 0.00 -0.47 1.13 9.65 -1.61 -1.69 114.38 121.39 3im2 h ARG 1995Ca -0.00 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3im2 h ARG 1995Cb 0.01 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 3im2 h ARG 1995CO 0.00 0.00 0.32 1.96 2.80 0.00 0.00 179.97 185.05 3im2 h GLN 1996N 0.00 0.40 -6.50 0.20 4.20 -1.67 -3.43 115.11 108.32 3im2 h GLN 1996Ca 0.10 -0.02 -0.53 0.00 0.06 0.00 0.00 58.65 58.25 3im2 h GLN 1996Cb 0.68 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.37 3im2 h GLN 1996CO -0.00 0.27 0.57 0.42 -0.67 0.00 0.00 178.83 179.41 3im2 s ILE 1997N -5.39 3.96 0.24 2.54 1.01 -0.64 -4.84 121.20 118.08 3im2 s ILE 1997Ca -0.08 1.42 -0.31 0.00 0.00 0.00 0.00 60.65 61.69 3im2 s ILE 1997Cb 0.19 -3.91 -0.14 0.00 0.01 0.00 0.00 42.46 38.60 3im2 s ILE 1997CO 0.73 0.12 1.27 -2.65 0.00 0.00 0.00 174.94 174.41 3im2 n PRO 1998N 3.82 1.70 -1.05 2.79 -0.02 -1.26 -2.57 135.00 138.41 3im2 n PRO 1998Ca 0.09 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 3im2 n PRO 1998Cb 0.46 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3im2 n PRO 1998CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3im2 n HIS 1999N 1.38 0.00 -2.46 6.00 8.25 -1.26 -4.64 115.22 122.50 3im2 n HIS 1999Ca 0.12 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.19 3im2 n HIS 1999Cb 0.30 -1.24 -0.02 0.00 1.12 0.00 0.00 29.99 30.15 3im2 n HIS 1999CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3im2 s PHE 2000N -1.60 2.50 0.90 4.41 0.40 -1.06 -4.97 117.98 118.56 3im2 s PHE 2000Ca 0.00 -0.88 -0.14 0.00 -0.60 0.00 0.00 56.93 55.31 3im2 s PHE 2000Cb 0.00 -4.58 0.16 0.00 0.51 0.00 0.00 43.02 39.12 3im2 s PHE 2000CO 0.00 -1.77 1.26 0.54 0.70 0.00 0.00 175.22 175.95 3im2 s ASN 2001N 5.13 3.56 0.38 1.36 2.20 -1.26 -4.76 114.94 121.54 3im2 s ASN 2001Ca 0.55 0.34 0.06 0.00 -0.94 0.00 0.00 52.86 52.86 3im2 s ASN 2001Cb 0.01 -0.52 0.77 0.00 -2.00 0.00 0.00 41.25 39.50 3im2 s ASN 2001CO 0.02 -2.46 2.01 0.78 -2.94 0.00 0.00 177.10 174.51 3im2 h ASN 2002N -1.40 0.60 -0.15 3.54 2.35 -1.99 -0.87 115.58 117.66 3im2 h ASN 2002Ca -0.44 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3im2 h ASN 2002Cb 1.26 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3im2 h ASN 2002CO 0.45 0.42 0.08 0.50 -1.65 0.00 0.00 177.43 177.23 3im2 h LYS 2003N 0.70 0.21 -0.46 0.81 3.64 -1.99 -2.20 116.57 117.28 3im2 h LYS 2003Ca 0.24 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3im2 h LYS 2003Cb 0.07 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3im2 h LYS 2003CO -0.06 0.21 0.12 0.82 -2.27 0.00 0.00 179.45 178.27 3im2 h ILE 2004N 0.14 1.23 -1.00 2.00 2.04 -1.74 -2.39 117.51 117.79 3im2 h ILE 2004Ca 0.05 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 65.21 3im2 h ILE 2004Cb 0.06 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3im2 h ILE 2004CO -0.01 0.29 0.63 -0.07 0.00 0.00 0.00 178.15 178.99 3im2 h LEU 2005N 0.62 0.95 -0.59 1.44 3.38 -1.11 -1.45 115.31 118.54 3im2 h LEU 2005Ca 0.15 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3im2 h LEU 2005Cb 0.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3im2 h LEU 2005CO 0.00 0.53 -0.60 -0.08 0.09 0.00 0.00 178.44 178.38 3im2 h GLU 2006N 1.03 0.35 -0.58 1.13 4.57 -1.19 -1.74 114.58 118.16 3im2 h GLU 2006Ca 0.48 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.37 3im2 h GLU 2006Cb 0.41 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 3im2 h GLU 2006CO -0.24 0.84 0.12 0.87 -1.18 0.00 0.00 179.01 179.42 3im2 h LYS 2007N 0.26 0.91 -0.26 1.92 1.57 -0.91 -1.80 116.57 118.25 3im2 h LYS 2007Ca -0.00 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3im2 h LYS 2007Cb 1.12 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3im2 h LYS 2007CO 0.10 0.82 0.12 0.00 -0.57 0.00 0.00 179.45 179.92 3im2 h LYS 2009N 0.28 0.65 -0.30 0.00 3.64 -1.11 0.43 116.57 120.16 3im2 h LYS 2009Ca 0.09 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 3im2 h LYS 2009Cb 0.14 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3im2 h LYS 2009CO -0.01 0.43 0.24 0.93 -2.27 0.00 0.00 179.45 178.77 3im2 h GLU 2010N 0.67 0.00 -0.22 1.90 4.39 -1.20 -1.30 114.58 118.81 3im2 h GLU 2010Ca 0.31 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 3im2 h GLU 2010Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3im2 h GLU 2010CO -0.20 0.00 -0.02 0.44 -1.16 0.00 0.00 179.01 178.07 3im2 n ILE 2011N -4.26 2.26 -3.24 3.13 -5.35 -0.93 -4.99 119.36 105.98 3im2 n ILE 2011Ca 0.04 -2.13 -0.23 0.00 -0.27 0.00 0.00 62.75 60.15 3im2 n ILE 2011Cb 0.40 -0.27 0.03 0.00 -1.74 0.00 0.00 39.64 38.06 3im2 n ILE 2011CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3im2 n ASN 2012N -0.81 -5.34 -4.64 7.28 3.02 -0.49 -4.97 115.26 109.31 3im2 n ASN 2012Ca 0.22 -0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 54.01 3im2 n ASN 2012Cb 0.87 -4.32 -0.08 0.00 -0.61 0.00 0.00 39.78 35.64 3im2 n ASN 2012CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3im2 s VAL 2013N -3.13 5.13 0.00 2.41 1.01 0.05 -4.94 120.40 120.94 3im2 s VAL 2013Ca 0.39 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3im2 s VAL 2013Cb -0.18 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3im2 s VAL 2013CO 0.48 0.16 0.00 -0.62 0.00 0.00 0.00 175.10 175.12 3im2 n GLU 2014N 5.06 2.23 -4.28 2.72 1.02 -1.26 -4.16 120.64 121.97 3im2 n GLU 2014Ca -0.06 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 3im2 n GLU 2014Cb 0.50 -0.78 -0.07 0.00 -0.02 0.00 0.00 31.44 31.07 3im2 n GLU 2014CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3im2 s THR 2015N -1.56 3.16 0.34 2.62 -4.23 -1.26 -4.58 115.64 110.14 3im2 s THR 2015Ca 0.00 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 3im2 s THR 2015Cb 0.00 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.31 3im2 s THR 2015CO 0.00 -0.31 1.92 0.58 -0.54 0.00 0.00 174.62 176.27 3im2 h VAL 2016N 1.83 0.99 -0.83 2.29 2.07 -1.96 -1.93 116.25 118.71 3im2 h VAL 2016Ca -0.44 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3im2 h VAL 2016Cb 1.25 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3im2 h VAL 2016CO 0.62 0.15 0.37 0.22 0.02 0.00 0.00 177.57 178.95 3im2 h TYR 2017N 0.83 1.23 -0.82 1.57 3.20 -1.98 -2.24 116.97 118.76 3im2 h TYR 2017Ca 0.37 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3im2 h TYR 2017Cb 0.34 -0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 3im2 h TYR 2017CO -0.00 0.91 0.53 -0.44 -1.64 0.00 0.00 178.16 177.52 3im2 h ASP 2018N 1.20 0.78 -0.05 -2.11 3.32 -1.76 -0.30 116.42 117.50 3im2 h ASP 2018Ca 0.28 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3im2 h ASP 2018Cb 0.17 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3im2 h ASP 2018CO -0.03 0.50 0.01 0.40 -1.72 0.00 0.00 179.24 178.40 3im2 h ILE 2019N 0.88 1.19 0.00 0.35 1.08 -1.18 -3.01 117.51 116.82 3im2 h ILE 2019Ca 0.35 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3im2 h ILE 2019Cb 0.25 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 3im2 h ILE 2019CO -0.13 0.16 0.00 1.15 -0.69 0.00 0.00 178.15 178.64 3im2 n MET 2020N -4.92 0.05 0.08 2.37 0.00 -0.87 -2.48 117.12 111.35 3im2 n MET 2020Ca -0.07 0.20 0.12 0.00 0.00 0.00 0.00 57.70 57.95 3im2 n MET 2020Cb 0.14 -1.58 0.18 0.00 0.00 0.00 0.00 33.22 31.97 3im2 n MET 2020CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3im2 h ALA 2021N 2.61 0.65 -2.94 3.17 0.00 -0.97 -3.48 119.26 118.30 3im2 h ALA 2021Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3im2 h ALA 2021Cb 0.38 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.28 3im2 h ALA 2021CO 0.00 0.00 0.72 -0.51 0.00 0.00 0.00 179.25 179.46 3im2 s LEU 2022N -4.50 4.25 0.51 0.00 1.43 -1.03 -5.00 118.68 114.34 3im2 s LEU 2022Ca 0.06 2.92 -0.19 0.00 -1.03 0.00 0.00 54.13 55.89 3im2 s LEU 2022Cb 0.12 -3.78 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 3im2 s LEU 2022CO 0.71 -0.93 1.03 -0.70 0.23 0.00 0.00 176.35 176.69 3im2 s GLU 2023N -2.20 3.72 0.23 1.70 2.12 -1.26 -4.77 118.70 118.24 3im2 s GLU 2023Ca 0.55 1.26 -0.16 0.00 0.36 0.00 0.00 54.97 56.99 3im2 s GLU 2023Cb -0.44 -2.09 0.26 0.00 0.26 0.00 0.00 34.13 32.12 3im2 s GLU 2023CO 0.58 -0.48 1.57 -0.44 -0.54 0.00 0.00 175.26 175.95 3im2 h ASP 2024N 1.23 -1.13 -0.19 -1.70 5.19 -1.98 0.15 116.42 117.99 3im2 h ASP 2024Ca -0.48 0.27 -0.12 0.00 -0.62 0.00 0.00 57.03 56.08 3im2 h ASP 2024Cb 1.21 0.63 -0.01 0.00 0.18 0.00 0.00 39.33 41.34 3im2 h ASP 2024CO 0.59 -0.29 -0.28 1.05 -3.12 0.00 0.00 179.24 177.19 3im2 h GLU 2025N -0.05 0.67 0.01 3.56 4.11 -1.98 -0.56 114.58 120.34 3im2 h GLU 2025Ca 0.34 -0.29 -0.19 0.00 0.07 0.00 0.00 59.36 59.30 3im2 h GLU 2025Cb 0.60 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3im2 h GLU 2025CO -0.87 0.88 -0.88 1.49 0.07 0.00 0.00 179.01 179.69 3im2 h GLU 2026N 0.58 0.08 -0.21 1.06 4.81 -1.75 -2.23 114.58 116.91 3im2 h GLU 2026Ca 0.07 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3im2 h GLU 2026Cb 0.77 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 3im2 h GLU 2026CO 0.06 0.91 0.02 -0.09 -0.73 0.00 0.00 179.01 179.18 3im2 h ARG 2027N 0.04 0.36 0.00 1.92 2.43 -0.56 -2.91 114.38 115.67 3im2 h ARG 2027Ca -0.03 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3im2 h ARG 2027Cb 1.53 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.04 3im2 h ARG 2027CO 0.12 0.53 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.58 3im2 h ASP 2028N 0.15 0.00 0.27 -3.80 3.32 -1.14 -1.47 116.42 113.74 3im2 h ASP 2028Ca 0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3im2 h ASP 2028Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3im2 h ASP 2028CO 0.01 0.09 -0.13 -0.08 -1.72 0.00 0.00 179.24 177.41 3im2 h GLU 2029N 0.00 -0.35 0.03 3.56 4.57 -1.33 -3.34 114.58 117.73 3im2 h GLU 2029Ca -0.00 0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 57.94 3im2 h GLU 2029Cb 0.79 0.08 0.02 0.00 -0.16 0.00 0.00 28.75 29.48 3im2 h GLU 2029CO 0.01 -0.14 -1.03 -0.84 -1.18 0.00 0.00 179.01 175.83 3im2 h ILE 2030N -0.50 1.30 -0.75 2.32 3.07 -1.41 -3.39 117.51 118.15 3im2 h ILE 2030Ca -0.04 -2.28 -0.71 0.00 1.55 0.00 0.00 64.86 63.39 3im2 h ILE 2030Cb 0.37 2.50 -0.09 0.00 -0.27 0.00 0.00 36.82 39.33 3im2 h ILE 2030CO 0.06 0.70 2.45 0.18 -1.05 0.00 0.00 178.15 180.49 3im2 n LEU 2031N -3.90 5.98 -4.06 0.16 4.77 -0.56 -4.85 117.00 114.54 3im2 n LEU 2031Ca -0.12 -4.18 -0.43 0.00 -0.03 0.00 0.00 56.01 51.26 3im2 n LEU 2031Cb 0.88 -1.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 3im2 n LEU 2031CO 0.55 0.77 2.24 0.35 -1.33 0.00 0.00 177.39 179.97 3im2 n THR 2032N 5.23 3.83 -4.22 -5.08 -2.24 -1.26 -4.82 114.28 105.72 3im2 n THR 2032Ca 0.47 -3.73 -0.14 0.00 -2.27 0.00 0.00 64.05 58.38 3im2 n THR 2032Cb 0.41 -2.48 -0.10 0.00 -2.10 0.00 0.00 70.33 66.06 3im2 n THR 2032CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3im2 s LEU 2033N 2.28 2.47 0.93 3.22 1.43 -1.26 -5.14 118.68 122.61 3im2 s LEU 2033Ca 0.47 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 3im2 s LEU 2033Cb 0.09 -0.33 0.15 0.00 0.03 0.00 0.00 46.19 46.12 3im2 s LEU 2033CO -0.02 -0.30 1.11 0.42 0.23 0.00 0.00 176.35 177.80 3im2 s THR 2034N -2.91 2.23 0.10 5.49 -4.23 -1.26 -4.77 115.64 110.28 3im2 s THR 2034Ca 0.11 0.07 -0.26 0.00 -1.18 0.00 0.00 61.69 60.43 3im2 s THR 2034Cb 0.00 -2.71 -0.12 0.00 1.34 0.00 0.00 72.50 71.01 3im2 s THR 2034CO 0.00 -0.10 1.67 0.44 -0.54 0.00 0.00 174.62 176.10 3im2 h ASP 2035N -1.59 -0.47 -0.75 3.99 3.32 -2.01 0.41 116.42 119.31 3im2 h ASP 2035Ca -0.51 0.04 0.12 0.00 0.02 0.00 0.00 57.03 56.70 3im2 h ASP 2035Cb 1.32 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.95 3im2 h ASP 2035CO 0.59 -0.27 0.34 0.28 -1.72 0.00 0.00 179.24 178.46 3im2 h SER 2036N -0.39 0.37 -0.51 6.45 0.02 -2.00 -2.03 113.55 115.46 3im2 h SER 2036Ca -0.00 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3im2 h SER 2036Cb 0.37 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3im2 h SER 2036CO -0.04 0.17 0.13 1.56 -1.14 0.00 0.00 176.83 177.51 3im2 h GLN 2037N 0.52 0.82 -0.45 3.45 4.20 -1.82 -2.94 115.11 118.90 3im2 h GLN 2037Ca 0.40 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3im2 h GLN 2037Cb 0.54 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3im2 h GLN 2037CO -0.35 0.79 0.09 -0.07 -0.67 0.00 0.00 178.83 178.62 3im2 h LEU 2038N 0.72 0.63 -0.91 1.46 3.38 -0.44 -1.79 115.31 118.37 3im2 h LEU 2038Ca 0.16 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3im2 h LEU 2038Cb 0.33 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3im2 h LEU 2038CO 0.00 0.64 -0.04 0.00 0.09 0.00 0.00 178.44 179.14 3im2 h ALA 2039N 1.44 1.09 -0.16 1.53 0.00 -1.30 -1.09 119.26 120.77 3im2 h ALA 2039Ca 0.15 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3im2 h ALA 2039Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3im2 h ALA 2039CO -0.00 0.57 -0.59 1.96 0.00 0.00 0.00 179.25 181.19 3im2 h GLN 2040N 0.71 0.53 -0.30 0.00 4.20 -1.28 0.36 115.11 119.32 3im2 h GLN 2040Ca 0.13 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3im2 h GLN 2040Cb 0.48 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3im2 h GLN 2040CO 0.02 0.97 0.20 0.28 -0.67 0.00 0.00 178.83 179.63 3im2 h VAL 2041N 0.40 1.07 -0.69 -0.54 2.07 -1.23 -2.56 116.25 114.76 3im2 h VAL 2041Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3im2 h VAL 2041Cb 1.14 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3im2 h VAL 2041CO 0.11 0.07 0.38 0.00 0.02 0.00 0.00 177.57 178.15 3im2 h ALA 2042N 1.11 0.89 -0.55 1.67 0.00 -0.93 -1.11 119.26 120.34 3im2 h ALA 2042Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3im2 h ALA 2042Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3im2 h ALA 2042CO -0.03 0.40 0.36 0.00 0.00 0.00 0.00 179.25 179.98 3im2 h ALA 2043N 1.19 0.70 0.18 0.00 0.00 -0.90 -2.29 119.26 118.14 3im2 h ALA 2043Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3im2 h ALA 2043Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3im2 h ALA 2043CO -0.04 0.15 -0.09 0.35 0.00 0.00 0.00 179.25 179.62 3im2 h PHE 2044N 0.74 -0.23 -0.10 0.00 3.57 -1.12 -3.02 116.94 116.79 3im2 h PHE 2044Ca 0.20 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 3im2 h PHE 2044Cb -0.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3im2 h PHE 2044CO -0.03 -0.02 -0.27 0.28 -2.23 0.00 0.00 178.31 176.04 3im2 h VAL 2045N -0.40 1.23 0.00 1.41 2.07 -1.17 -0.93 116.25 118.47 3im2 h VAL 2045Ca -0.03 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.26 3im2 h VAL 2045Cb 0.31 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3im2 h VAL 2045CO 0.04 0.33 -0.60 0.78 0.02 0.00 0.00 177.57 178.14 3im2 h ASN 2046N 0.16 0.00 0.77 0.57 2.35 -1.46 -3.26 115.58 114.71 3im2 h ASN 2046Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3im2 h ASN 2046Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3im2 h ASN 2046CO 0.04 0.60 -1.14 0.59 -1.65 0.00 0.00 177.43 175.87 3im2 n ASN 2047N -3.64 0.68 -4.70 5.81 4.13 -0.97 -4.93 115.26 111.65 3im2 n ASN 2047Ca -0.01 0.21 -0.42 0.00 1.68 0.00 0.00 54.58 56.04 3im2 n ASN 2047Cb 0.64 0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 39.57 3im2 n ASN 2047CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3im2 s TYR 2048N -3.36 2.55 0.38 3.10 5.04 -0.39 -4.93 117.35 119.74 3im2 s TYR 2048Ca -0.01 0.34 -0.24 0.00 -2.44 0.00 0.00 57.07 54.72 3im2 s TYR 2048Cb 0.11 -3.99 -0.09 0.00 0.35 0.00 0.00 41.96 38.33 3im2 s TYR 2048CO 0.81 -3.93 1.02 -1.25 -1.34 0.00 0.00 175.55 170.86 3im2 s PRO 2049N 2.24 4.28 -0.32 4.97 0.04 -1.26 -5.01 135.00 139.94 3im2 s PRO 2049Ca 0.74 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 63.21 3im2 s PRO 2049Cb -0.42 -2.59 0.10 0.00 0.04 0.00 0.00 34.50 31.64 3im2 s PRO 2049CO 0.33 -0.02 0.12 1.21 0.04 0.00 0.00 177.00 178.67 3im2 s ASN 2050N -1.62 3.86 0.14 6.66 2.47 -1.26 -4.89 114.94 120.30 3im2 s ASN 2050Ca 0.56 -1.67 0.06 0.00 0.42 0.00 0.00 52.86 52.22 3im2 s ASN 2050Cb -0.20 -0.76 -0.04 0.00 -1.45 0.00 0.00 41.25 38.80 3im2 s ASN 2050CO 0.26 -0.40 0.04 0.68 -3.72 0.00 0.00 177.10 173.95 3im2 s VAL 2051N 1.59 4.08 -0.16 -5.21 -7.23 -1.26 -4.44 120.40 107.76 3im2 s VAL 2051Ca 0.11 -1.14 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3im2 s VAL 2051Cb -0.18 -3.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 3im2 s VAL 2051CO -0.24 -0.02 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.73 3im2 s GLU 2052N -2.73 3.36 -0.21 4.82 2.12 -0.52 -4.97 118.70 120.57 3im2 s GLU 2052Ca 0.28 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.87 3im2 s GLU 2052Cb -0.10 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 3im2 s GLU 2052CO 0.20 0.05 0.06 -1.17 -0.54 0.00 0.00 175.26 173.86 3im2 s LEU 2053N 0.78 3.62 0.23 2.70 2.96 -1.26 -1.98 118.68 125.73 3im2 s LEU 2053Ca -0.04 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3im2 s LEU 2053Cb -0.15 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 3im2 s LEU 2053CO 0.01 0.09 0.07 0.42 -1.32 0.00 0.00 176.35 175.63 3im2 s THR 2054N 0.86 0.56 0.14 3.68 -4.23 -0.52 -5.03 115.64 111.10 3im2 s THR 2054Ca 0.03 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 3im2 s THR 2054Cb -0.14 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.22 3im2 s THR 2054CO 0.02 -0.12 0.35 -0.72 -0.54 0.00 0.00 174.62 173.62 3im2 s TYR 2055N -3.75 0.04 -0.02 3.99 -0.85 -1.26 -1.06 117.35 114.44 3im2 s TYR 2055Ca 0.34 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 3im2 s TYR 2055Cb 0.07 0.14 0.02 0.00 0.38 0.00 0.00 41.96 42.58 3im2 s TYR 2055CO 0.11 -0.72 0.01 -1.54 -1.52 0.00 0.00 175.55 171.89 3im2 s SER 2056N -2.87 0.28 -0.23 -0.18 1.04 -0.25 -4.98 113.70 106.49 3im2 s SER 2056Ca 0.08 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.50 3im2 s SER 2056Cb 0.02 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.03 3im2 s SER 2056CO -0.07 -0.09 -0.10 -0.22 0.98 0.00 0.00 173.24 173.74 3im2 s LEU 2057N 0.85 2.97 0.06 2.42 0.20 -1.26 -2.01 118.68 121.91 3im2 s LEU 2057Ca -0.08 -0.90 -0.31 0.00 0.69 0.00 0.00 54.13 53.54 3im2 s LEU 2057Cb -0.11 -1.60 -0.06 0.00 -0.43 0.00 0.00 46.19 43.99 3im2 s LEU 2057CO -0.02 -0.10 1.26 0.21 -0.29 0.00 0.00 176.35 177.41 3im2 s ASN 2058N 1.28 7.00 -1.03 3.68 3.84 -1.26 -3.85 114.94 124.60 3im2 s ASN 2058Ca -0.00 2.08 -0.08 0.00 0.21 0.00 0.00 52.86 55.07 3im2 s ASN 2058Cb -0.16 -2.58 -0.05 0.00 -0.55 0.00 0.00 41.25 37.91 3im2 s ASN 2058CO -0.07 -0.54 0.87 0.59 -2.79 0.00 0.00 177.10 175.16 3im2 n ASN 2059N 4.14 -6.51 -4.76 -4.21 3.02 -1.26 -4.98 115.26 100.70 3im2 n ASN 2059Ca 0.10 -0.71 -0.38 0.00 -0.03 0.00 0.00 54.58 53.56 3im2 n ASN 2059Cb 0.45 -4.84 0.01 0.00 -0.61 0.00 0.00 39.78 34.79 3im2 n ASN 2059CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3im2 s SER 2060N -3.36 5.92 -1.40 6.41 0.15 -1.25 -3.07 113.70 117.10 3im2 s SER 2060Ca 0.41 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.59 3im2 s SER 2060Cb -0.07 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3im2 s SER 2060CO 0.77 -1.11 0.00 0.47 1.20 0.00 0.00 173.24 174.57 3im2 n ASP 2061N -0.52 -4.84 -1.31 5.45 9.92 -1.26 -4.82 116.55 119.18 3im2 n ASP 2061Ca 0.07 0.33 0.04 0.00 -0.53 0.00 0.00 54.79 54.70 3im2 n ASP 2061Cb 0.46 -3.50 0.03 0.00 -0.64 0.00 0.00 41.12 37.47 3im2 n ASP 2061CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3im2 n SER 2062N -0.45 0.94 -4.82 -2.24 7.64 -1.17 -4.83 113.62 108.69 3im2 n SER 2062Ca -0.13 -2.13 -0.35 0.00 1.01 0.00 0.00 58.87 57.27 3im2 n SER 2062Cb 0.47 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 3im2 n SER 2062CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3im2 s LEU 2063N -0.23 4.26 -0.16 -3.43 1.43 -1.26 -4.93 118.68 114.37 3im2 s LEU 2063Ca 0.30 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.82 3im2 s LEU 2063Cb 0.34 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3im2 s LEU 2063CO -0.14 -0.05 -0.04 -0.63 0.23 0.00 0.00 176.35 175.72 3im2 s ILE 2064N -1.67 3.86 0.23 -0.59 1.01 -1.26 -1.90 121.20 120.87 3im2 s ILE 2064Ca 0.47 -0.37 -0.32 0.00 0.00 0.00 0.00 60.65 60.44 3im2 s ILE 2064Cb -0.15 -2.70 -0.12 0.00 0.01 0.00 0.00 42.46 39.50 3im2 s ILE 2064CO 0.20 0.48 1.65 -0.24 0.00 0.00 0.00 174.94 177.04 3im2 n SER 2065N 3.66 3.79 0.00 3.58 2.88 -1.26 -2.97 113.62 123.31 3im2 n SER 2065Ca -0.17 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 3im2 n SER 2065Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 3im2 n SER 2065CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3im2 n GLY 2066N 3.29 2.88 3.77 0.46 0.00 0.11 -4.96 105.19 110.73 3im2 n GLY 2066Ca 0.14 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 3im2 n GLY 2066CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3im2 s VAL 2067N -2.10 2.77 0.06 1.61 1.01 -1.16 -4.26 120.40 118.34 3im2 s VAL 2067Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 3im2 s VAL 2067Cb 0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 3im2 s VAL 2067CO 0.00 0.12 1.52 -1.59 0.00 0.00 0.00 175.10 175.15 3im2 s LYS 2068N -2.10 4.25 -0.04 2.72 0.00 -1.26 -1.38 119.74 121.92 3im2 s LYS 2068Ca 0.54 2.17 0.06 0.00 0.00 0.00 0.00 55.97 58.74 3im2 s LYS 2068Cb -0.37 -3.51 -0.02 0.00 0.00 0.00 0.00 37.83 33.94 3im2 s LYS 2068CO 0.48 -0.63 -0.23 -1.14 0.00 0.00 0.00 175.35 173.83 3im2 s GLN 2069N 2.23 2.36 0.08 1.78 2.00 0.13 -4.95 119.66 123.29 3im2 s GLN 2069Ca 0.69 -0.86 -0.09 0.00 -2.00 0.00 0.00 55.36 53.09 3im2 s GLN 2069Cb -0.37 -2.17 -0.06 0.00 0.80 0.00 0.00 33.01 31.22 3im2 s GLN 2069CO 0.30 0.51 0.38 0.15 -0.50 0.00 0.00 175.29 176.13 3im2 s LYS 2070N -0.47 3.72 -0.01 1.67 1.02 -1.26 -1.22 119.74 123.19 3im2 s LYS 2070Ca 0.06 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.17 3im2 s LYS 2070Cb -0.11 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 3im2 s LYS 2070CO 0.01 0.56 0.00 -1.50 -0.92 0.00 0.00 175.35 173.50 3im2 s ILE 2071N -1.42 0.04 -0.18 2.17 2.07 0.53 -4.51 121.20 119.90 3im2 s ILE 2071Ca 0.33 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.54 3im2 s ILE 2071Cb -0.14 -0.08 -0.04 0.00 0.13 0.00 0.00 42.46 42.33 3im2 s ILE 2071CO 0.19 0.04 0.07 -0.89 -1.91 0.00 0.00 174.94 172.44 3im2 s THR 2072N 0.32 4.84 -0.15 4.00 2.01 -0.85 -0.53 115.64 125.26 3im2 s THR 2072Ca -0.03 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.97 3im2 s THR 2072Cb -0.04 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.30 3im2 s THR 2072CO -0.01 0.47 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.58 3im2 s ILE 2073N 0.28 2.39 -0.10 1.82 1.01 0.79 -1.10 121.20 126.29 3im2 s ILE 2073Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3im2 s ILE 2073Cb -0.12 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3im2 s ILE 2073CO 0.00 0.53 -0.09 -1.58 0.00 0.00 0.00 174.94 173.80 3im2 s GLN 2074N 0.89 3.07 -0.10 2.79 0.74 -0.23 0.03 119.66 126.85 3im2 s GLN 2074Ca -0.04 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.78 3im2 s GLN 2074Cb -0.15 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.34 3im2 s GLN 2074CO -0.02 0.45 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.48 3im2 s LEU 2075N -0.24 1.85 0.06 3.68 2.01 0.65 -1.44 118.68 125.23 3im2 s LEU 2075Ca 0.02 -0.46 0.09 0.00 0.01 0.00 0.00 54.13 53.80 3im2 s LEU 2075Cb -0.13 -1.16 -0.03 0.00 0.01 0.00 0.00 46.19 44.88 3im2 s LEU 2075CO 0.03 0.06 -0.25 0.42 1.01 0.00 0.00 176.35 177.62 3im2 s THR 2076N 0.76 2.02 0.26 5.49 -4.23 -0.84 -1.59 115.64 117.51 3im2 s THR 2076Ca -0.11 -1.39 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 3im2 s THR 2076Cb -0.16 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 3im2 s THR 2076CO 0.02 0.28 -0.12 -0.13 -0.54 0.00 0.00 174.62 174.13 3im2 s ARG 2077N -1.33 1.92 0.13 3.99 0.52 0.11 -1.44 118.95 122.85 3im2 s ARG 2077Ca 0.11 -1.57 -0.18 0.00 -0.52 0.00 0.00 55.73 53.57 3im2 s ARG 2077Cb -0.10 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 3im2 s ARG 2077CO 0.02 0.36 1.76 -0.44 0.02 0.00 0.00 175.30 177.02 3im2 h ASP 2078N 2.28 0.38 -4.90 0.23 3.32 -1.84 -3.44 116.42 112.45 3im2 h ASP 2078Ca -0.43 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.34 3im2 h ASP 2078Cb 1.25 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 40.55 3im2 h ASP 2078CO 0.58 0.33 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.07 3im2 s VAL 2079N -5.98 0.45 0.06 -1.35 1.01 -1.26 -5.06 120.40 108.27 3im2 s VAL 2079Ca -0.13 -1.93 -0.31 0.00 0.00 0.00 0.00 61.98 59.61 3im2 s VAL 2079Cb 0.09 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.46 3im2 s VAL 2079CO 0.72 -0.61 1.44 -0.70 0.00 0.00 0.00 175.10 175.95 3im2 s GLU 2080N -3.94 4.28 0.22 2.72 2.12 -1.26 -4.59 118.70 118.25 3im2 s GLU 2080Ca 0.20 2.08 -0.30 0.00 0.36 0.00 0.00 54.97 57.30 3im2 s GLU 2080Cb 0.07 -3.44 -0.10 0.00 0.26 0.00 0.00 34.13 30.92 3im2 s GLU 2080CO 0.00 -0.55 1.40 -1.25 -0.54 0.00 0.00 175.26 174.32 3im2 s PRO 2081N 1.89 4.31 0.38 4.30 0.04 -1.26 -4.93 135.00 139.74 3im2 s PRO 2081Ca 0.66 2.21 0.19 0.00 0.04 0.00 0.00 61.00 64.09 3im2 s PRO 2081Cb -0.35 -3.15 0.73 0.00 0.04 0.00 0.00 34.50 31.78 3im2 s PRO 2081CO 0.29 -0.36 1.76 0.93 0.04 0.00 0.00 177.00 179.66 3im2 h GLU 2082N 5.26 0.00 -2.56 4.56 4.39 -1.94 -3.46 114.58 120.84 3im2 h GLU 2082Ca -0.45 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 3im2 h GLU 2082Cb 1.22 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.72 3im2 h GLU 2082CO 0.78 0.36 0.23 0.54 -1.16 0.00 0.00 179.01 179.76 3im2 s ASN 2083N -6.45 -0.59 -0.38 1.42 2.20 -1.26 -5.06 114.94 104.82 3im2 s ASN 2083Ca -0.00 0.27 0.06 0.00 -0.94 0.00 0.00 52.86 52.25 3im2 s ASN 2083Cb 0.11 0.56 0.53 0.00 -2.00 0.00 0.00 41.25 40.45 3im2 s ASN 2083CO 0.68 -0.80 1.62 0.18 -2.94 0.00 0.00 177.10 175.84 3im2 n LEU 2084N 0.12 5.33 -4.67 3.54 4.77 -1.26 -4.99 117.00 119.84 3im2 n LEU 2084Ca -0.17 -3.93 -0.43 0.00 -0.03 0.00 0.00 56.01 51.45 3im2 n LEU 2084Cb 0.62 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3im2 n LEU 2084CO 0.16 1.35 1.00 -1.58 -1.33 0.00 0.00 177.39 176.99 3im2 s GLN 2085N -3.39 4.28 0.18 3.23 2.00 -1.26 -0.56 119.66 124.14 3im2 s GLN 2085Ca 0.51 1.58 -0.30 0.00 -2.00 0.00 0.00 55.36 55.16 3im2 s GLN 2085Cb 0.44 -3.68 -0.08 0.00 0.80 0.00 0.00 33.01 30.50 3im2 s GLN 2085CO 0.03 -0.60 1.11 0.08 -0.50 0.00 0.00 175.29 175.40 3im2 s VAL 2086N 3.04 3.82 -0.33 1.34 1.01 -0.14 -4.92 120.40 124.21 3im2 s VAL 2086Ca 0.52 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.85 3im2 s VAL 2086Cb -0.21 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3im2 s VAL 2086CO 0.15 0.27 0.72 -0.89 0.00 0.00 0.00 175.10 175.35 3im2 s THR 2087N -0.25 4.82 -0.16 3.92 2.01 -1.26 -4.77 115.64 119.95 3im2 s THR 2087Ca 0.50 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 63.35 3im2 s THR 2087Cb -0.30 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.17 3im2 s THR 2087CO 0.35 -0.30 0.25 -0.55 -0.69 0.00 0.00 174.62 173.68 3im2 s SER 2088N 1.73 0.78 0.24 3.53 0.15 -1.26 -5.03 113.70 113.84 3im2 s SER 2088Ca 0.29 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 57.10 3im2 s SER 2088Cb -0.14 0.57 0.44 0.00 -1.71 0.00 0.00 66.02 65.18 3im2 s SER 2088CO 0.14 -0.28 1.70 -0.33 1.20 0.00 0.00 173.24 175.67 3im2 h GLU 2089N 8.30 0.30 0.00 5.44 5.08 -1.90 -3.31 114.58 128.48 3im2 h GLU 2089Ca -0.16 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 57.91 3im2 h GLU 2089Cb 1.13 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 3im2 h GLU 2089CO 0.20 0.20 -1.80 1.63 -1.00 0.00 0.00 179.01 178.24 3im2 n LYS 2090N -5.12 0.64 -2.95 2.33 4.76 -1.26 -4.77 118.16 111.80 3im2 n LYS 2090Ca 0.13 0.22 -0.43 0.00 -2.87 0.00 0.00 58.31 55.36 3im2 n LYS 2090Cb 0.43 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.83 3im2 n LYS 2090CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3im2 s TYR 2091N -2.65 3.05 -2.00 2.13 5.04 -1.25 -4.95 117.35 116.72 3im2 s TYR 2091Ca -0.05 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.99 3im2 s TYR 2091Cb 0.08 -3.56 0.12 0.00 0.35 0.00 0.00 41.96 38.95 3im2 s TYR 2091CO 0.83 -0.87 1.08 -0.35 -1.34 0.00 0.00 175.55 174.90 3im2 n PRO 2092N 6.60 1.08 -4.39 4.97 -0.04 -1.26 -4.84 135.00 137.13 3im2 n PRO 2092Ca 0.03 -0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.15 3im2 n PRO 2092Cb 0.48 -1.05 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 3im2 n PRO 2092CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3im2 s PHE 2093N -1.96 1.98 0.32 0.54 0.08 -1.26 -5.12 117.98 112.57 3im2 s PHE 2093Ca 0.04 -0.45 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 3im2 s PHE 2093Cb 0.02 -0.93 -0.11 0.00 -0.57 0.00 0.00 43.02 41.43 3im2 s PHE 2093CO 0.03 0.47 1.58 -0.51 -0.10 0.00 0.00 175.22 176.69 3im2 s ASP 2094N -3.11 6.34 -0.01 1.36 1.01 -1.26 -5.02 116.67 115.98 3im2 s ASP 2094Ca 0.23 3.00 0.00 0.00 0.71 0.00 0.00 52.55 56.49 3im2 s ASP 2094Cb -0.04 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.26 3im2 s ASP 2094CO 0.10 -0.92 0.01 -0.75 0.21 0.00 0.00 175.17 173.81 3im2 s LYS 2095N -0.94 0.03 -0.15 8.23 2.47 -1.26 -5.08 119.74 123.03 3im2 s LYS 2095Ca 0.61 0.08 -0.08 0.00 -1.56 0.00 0.00 55.97 55.01 3im2 s LYS 2095Cb -0.48 -0.17 -0.04 0.00 -1.46 0.00 0.00 37.83 35.68 3im2 s LYS 2095CO 0.52 -0.08 0.15 -0.51 0.16 0.00 0.00 175.35 175.59 3im2 s LEU 2096N 0.55 4.32 0.08 5.43 1.43 -1.26 -0.97 118.68 128.27 3im2 s LEU 2096Ca -0.05 0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 53.14 3im2 s LEU 2096Cb -0.07 -2.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.97 3im2 s LEU 2096CO -0.01 0.31 1.66 -0.70 0.23 0.00 0.00 176.35 177.84 3im2 s GLU 2097N -0.48 4.19 0.13 1.70 2.12 0.27 -4.91 118.70 121.73 3im2 s GLU 2097Ca 0.13 2.36 0.02 0.00 0.36 0.00 0.00 54.97 57.84 3im2 s GLU 2097Cb -0.12 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 3im2 s GLU 2097CO 0.02 -0.73 -0.04 0.45 -0.54 0.00 0.00 175.26 174.41 3im2 s SER 2098N 2.31 1.22 0.02 -1.70 0.15 -1.26 -4.71 113.70 109.73 3im2 s SER 2098Ca 0.74 -1.07 0.02 0.00 0.70 0.00 0.00 55.95 56.35 3im2 s SER 2098Cb -0.41 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 63.98 3im2 s SER 2098CO 0.33 -0.49 -0.07 0.26 1.20 0.00 0.00 173.24 174.47 3im2 s TRP 2099N -3.61 0.60 -0.17 3.44 0.52 -0.57 -0.76 118.94 118.39 3im2 s TRP 2099Ca 0.17 -0.30 -0.08 0.00 0.02 0.00 0.00 56.10 55.90 3im2 s TRP 2099Cb 0.05 -0.37 -0.04 0.00 -1.15 0.00 0.00 33.47 31.96 3im2 s TRP 2099CO -0.01 -0.04 0.11 -1.58 0.02 0.00 0.00 176.95 175.44 3im2 s TRP 2100N -0.77 3.40 -0.24 -1.98 0.51 0.12 -1.17 118.94 118.81 3im2 s TRP 2100Ca -0.04 0.30 -0.08 0.00 -2.12 0.00 0.00 56.10 54.16 3im2 s TRP 2100Cb -0.06 -2.07 -0.04 0.00 -0.81 0.00 0.00 33.47 30.49 3im2 s TRP 2100CO 0.00 0.37 0.09 -0.51 -0.51 0.00 0.00 176.95 176.39 3im2 s LEU 2101N -0.02 3.65 -0.06 2.99 1.02 0.40 -0.90 118.68 125.76 3im2 s LEU 2101Ca 0.09 -0.10 0.02 0.00 0.02 0.00 0.00 54.13 54.16 3im2 s LEU 2101Cb -0.12 -1.98 0.01 0.00 0.02 0.00 0.00 46.19 44.13 3im2 s LEU 2101CO 0.00 0.01 -0.12 -0.69 0.02 0.00 0.00 176.35 175.57 3im2 s VAL 2102N 1.37 1.09 -0.09 -1.59 1.01 -0.36 -1.23 120.40 120.60 3im2 s VAL 2102Ca 0.06 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3im2 s VAL 2102Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3im2 s VAL 2102CO 0.05 0.34 -0.12 -0.22 0.00 0.00 0.00 175.10 175.15 3im2 s LEU 2103N 0.69 2.83 0.14 3.92 2.96 -0.46 -0.77 118.68 128.00 3im2 s LEU 2103Ca -0.14 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.32 3im2 s LEU 2103Cb -0.16 -1.61 0.08 0.00 0.50 0.00 0.00 46.19 45.00 3im2 s LEU 2103CO 0.03 0.28 1.08 -0.83 -1.32 0.00 0.00 176.35 175.59 3im2 s GLY 2104N -0.31 0.01 -0.20 7.98 0.00 -0.79 -0.05 107.32 113.97 3im2 s GLY 2104Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 3im2 s GLY 2104CO 0.03 2.54 -0.03 1.85 0.00 0.00 0.00 173.10 177.48 3im2 s GLU 2105N -2.27 1.31 0.20 2.90 2.12 -0.50 -0.99 118.70 121.47 3im2 s GLU 2105Ca 0.22 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.78 3im2 s GLU 2105Cb -0.02 -2.24 0.15 0.00 0.26 0.00 0.00 34.13 32.27 3im2 s GLU 2105CO 0.04 -0.54 1.82 0.28 -0.54 0.00 0.00 175.26 176.31 3im2 h VAL 2106N 6.52 1.23 0.00 3.70 2.07 -1.85 -2.01 116.25 125.91 3im2 h VAL 2106Ca -0.20 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3im2 h VAL 2106Cb 1.10 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3im2 h VAL 2106CO 0.39 0.25 0.00 0.77 0.02 0.00 0.00 177.57 179.00 3im2 h SER 2107N 1.03 0.00 -0.02 0.57 4.64 -1.97 -2.34 113.55 115.47 3im2 h SER 2107Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3im2 h SER 2107Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3im2 h SER 2107CO -0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.21 3im2 n LYS 2108N -3.01 1.04 -3.19 4.77 5.02 -0.96 -4.99 118.16 116.83 3im2 n LYS 2108Ca -0.00 -1.38 -0.22 0.00 -2.02 0.00 0.00 58.31 54.69 3im2 n LYS 2108Cb 0.24 -1.28 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 3im2 n LYS 2108CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3im2 n LYS 2109N 0.82 -3.93 -4.89 1.97 5.02 -0.79 -4.96 118.16 111.39 3im2 n LYS 2109Ca 0.09 0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 56.70 3im2 n LYS 2109Cb 0.37 -5.41 -0.14 0.00 -0.02 0.00 0.00 35.03 29.83 3im2 n LYS 2109CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3im2 s GLU 2110N -5.85 2.74 -0.26 1.97 2.12 -1.12 -2.42 118.70 115.89 3im2 s GLU 2110Ca 0.35 -0.71 -0.09 0.00 0.36 0.00 0.00 54.97 54.87 3im2 s GLU 2110Cb -0.17 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 3im2 s GLU 2110CO 0.43 0.49 0.13 -1.17 -0.54 0.00 0.00 175.26 174.60 3im2 s LEU 2111N -0.40 3.76 -0.06 2.70 0.20 -0.14 -1.42 118.68 123.33 3im2 s LEU 2111Ca 0.04 -0.08 0.15 0.00 0.69 0.00 0.00 54.13 54.93 3im2 s LEU 2111Cb -0.12 -2.02 -0.22 0.00 -0.43 0.00 0.00 46.19 43.40 3im2 s LEU 2111CO 0.02 -0.02 0.56 -1.22 -0.29 0.00 0.00 176.35 175.41 3im2 n TYR 2112N 4.81 0.76 -3.55 5.38 4.01 0.93 -4.53 117.16 124.98 3im2 n TYR 2112Ca -0.15 0.27 -0.11 0.00 -0.16 0.00 0.00 57.90 57.75 3im2 n TYR 2112Cb 0.52 -1.11 -0.04 0.00 -0.31 0.00 0.00 39.34 38.39 3im2 n TYR 2112CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3im2 s ALA 2113N -2.66 -1.87 -0.05 -0.72 0.00 -1.10 -4.69 121.76 110.66 3im2 s ALA 2113Ca -0.06 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.14 3im2 s ALA 2113Cb 0.08 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3im2 s ALA 2113CO 0.83 -0.42 0.35 -1.50 0.00 0.00 0.00 175.76 175.02 3im2 s ILE 2114N -1.64 0.04 -0.17 0.00 2.07 -1.26 -1.35 121.20 118.89 3im2 s ILE 2114Ca -0.02 -0.32 -0.11 0.00 -1.41 0.00 0.00 60.65 58.79 3im2 s ILE 2114Cb -0.01 -0.62 0.05 0.00 0.13 0.00 0.00 42.46 42.02 3im2 s ILE 2114CO 0.00 -0.17 0.43 -0.75 -1.91 0.00 0.00 174.94 172.54 3im2 s LYS 2115N -0.92 0.44 -0.22 3.50 2.20 -0.36 -4.77 119.74 119.61 3im2 s LYS 2115Ca -0.10 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.13 3im2 s LYS 2115Cb -0.04 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3im2 s LYS 2115CO 0.04 -0.13 0.29 0.21 -0.36 0.00 0.00 175.35 175.40 3im2 s LYS 2116N 1.06 4.13 0.09 4.03 2.20 -1.26 -0.45 119.74 129.54 3im2 s LYS 2116Ca -0.07 -0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 3im2 s LYS 2116Cb -0.07 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 3im2 s LYS 2116CO -0.09 0.02 -0.08 0.14 -0.36 0.00 0.00 175.35 174.97 3im2 s VAL 2117N 1.17 0.78 -0.14 4.02 -7.23 -0.31 -4.99 120.40 113.69 3im2 s VAL 2117Ca 0.14 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3im2 s VAL 2117Cb -0.14 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 3im2 s VAL 2117CO 0.06 -0.68 -0.08 0.42 -0.31 0.00 0.00 175.10 174.51 3im2 s THR 2118N -2.83 3.52 -1.11 5.32 -4.23 -1.26 -1.51 115.64 113.53 3im2 s THR 2118Ca 0.06 -0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 60.02 3im2 s THR 2118Cb -0.00 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.61 3im2 s THR 2118CO -0.02 0.51 1.44 0.18 -0.54 0.00 0.00 174.62 176.19 3im2 n LEU 2119N 3.51 6.22 -0.21 4.79 4.77 -1.26 -4.78 117.00 130.04 3im2 n LEU 2119Ca -0.18 -5.10 0.13 0.00 -0.03 0.00 0.00 56.01 50.83 3im2 n LEU 2119Cb 0.53 -1.35 0.37 0.00 -2.33 0.00 0.00 43.42 40.64 3im2 n LEU 2119CO 0.32 1.56 0.63 -0.46 -1.33 0.00 0.00 177.39 178.12 3im2 n ASN 2120N 1.97 0.93 -4.68 -1.43 0.23 -1.26 -4.85 115.26 106.17 3im2 n ASN 2120Ca 0.27 -0.79 -0.25 0.00 -0.53 0.00 0.00 54.58 53.28 3im2 n ASN 2120Cb 0.35 0.14 -0.08 0.00 -2.08 0.00 0.00 39.78 38.11 3im2 n ASN 2120CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3im2 s LYS 2121N -2.57 2.13 0.31 -3.83 1.02 -1.26 -4.26 119.74 111.28 3im2 s LYS 2121Ca 0.23 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.35 3im2 s LYS 2121Cb 0.19 -1.89 0.49 0.00 -0.52 0.00 0.00 37.83 36.10 3im2 s LYS 2121CO 0.54 -0.03 1.89 1.49 -0.92 0.00 0.00 175.35 178.32 3im2 h GLU 2122N 1.61 0.80 -3.51 1.68 4.81 -1.87 -3.41 114.58 114.70 3im2 h GLU 2122Ca -0.43 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.52 3im2 h GLU 2122Cb 1.25 -0.14 -0.21 0.00 0.63 0.00 0.00 28.75 30.28 3im2 h GLU 2122CO 0.72 0.67 -0.50 -0.08 -0.73 0.00 0.00 179.01 179.08 3im2 s THR 2123N -5.35 0.07 -0.10 0.32 -1.32 -1.26 0.05 115.64 108.05 3im2 s THR 2123Ca -0.10 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 59.47 3im2 s THR 2123Cb 0.16 -0.40 0.08 0.00 -1.51 0.00 0.00 72.50 70.83 3im2 s THR 2123CO 0.79 -0.34 0.76 0.00 -2.21 0.00 0.00 174.62 173.62 3im2 s GLN 2124N -1.21 0.93 0.10 7.08 0.00 -0.62 -5.01 119.66 120.92 3im2 s GLN 2124Ca -0.13 0.32 0.04 0.00 -0.00 0.00 0.00 55.36 55.59 3im2 s GLN 2124Cb -0.07 0.44 -0.04 0.00 0.00 0.00 0.00 33.01 33.34 3im2 s GLN 2124CO 0.01 -0.27 -0.10 1.14 0.00 0.00 0.00 175.29 176.08 3im2 s GLN 2125N -0.97 0.86 0.03 9.60 -2.07 -1.26 -0.26 119.66 125.58 3im2 s GLN 2125Ca -0.08 -1.18 0.02 0.00 -1.82 0.00 0.00 55.36 52.30 3im2 s GLN 2125Cb -0.01 -0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 31.38 3im2 s GLN 2125CO 0.07 0.08 -0.06 0.71 -1.32 0.00 0.00 175.29 174.76 3im2 s TYR 2126N -2.56 0.52 -0.20 9.60 2.02 0.11 -4.96 117.35 121.88 3im2 s TYR 2126Ca 0.06 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 3im2 s TYR 2126Cb -0.02 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3im2 s TYR 2126CO -0.00 -0.08 0.04 -2.00 -1.57 0.00 0.00 175.55 171.94 3im2 s GLU 2127N -1.12 3.81 0.02 -0.62 2.12 -1.26 -0.15 118.70 121.50 3im2 s GLU 2127Ca -0.07 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 54.92 3im2 s GLU 2127Cb -0.07 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3im2 s GLU 2127CO 0.00 0.13 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.10 3im2 s LEU 2128N 0.73 2.23 -0.07 2.70 1.02 0.31 -4.97 118.68 120.62 3im2 s LEU 2128Ca 0.02 -0.52 0.05 0.00 0.02 0.00 0.00 54.13 53.71 3im2 s LEU 2128Cb -0.14 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.72 3im2 s LEU 2128CO 0.02 0.28 -0.24 -0.70 0.02 0.00 0.00 176.35 175.73 3im2 s GLU 2129N -1.08 2.66 0.07 1.70 2.12 -1.26 -0.35 118.70 122.56 3im2 s GLU 2129Ca 0.12 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.58 3im2 s GLU 2129Cb -0.10 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 32.10 3im2 s GLU 2129CO 0.02 0.29 -0.05 -0.59 -0.54 0.00 0.00 175.26 174.39 3im2 s PHE 2130N 0.05 0.67 0.00 5.30 -0.12 -0.35 -4.77 117.98 118.76 3im2 s PHE 2130Ca -0.09 -0.98 -0.30 0.00 -0.05 0.00 0.00 56.93 55.51 3im2 s PHE 2130Cb -0.15 -0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 41.77 3im2 s PHE 2130CO 0.05 -0.27 1.02 -0.51 -0.05 0.00 0.00 175.22 175.46 3im2 s ASP 2131N -2.90 7.31 0.07 1.98 1.01 -1.26 0.18 116.67 123.05 3im2 s ASP 2131Ca 0.08 1.71 -0.31 0.00 0.71 0.00 0.00 52.55 54.75 3im2 s ASP 2131Cb 0.06 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.34 3im2 s ASP 2131CO -0.07 -0.32 1.51 -0.89 0.21 0.00 0.00 175.17 175.61 3im2 s THR 2132N 1.12 3.24 1.01 -1.27 2.01 -0.48 -4.90 115.64 116.37 3im2 s THR 2132Ca 0.53 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 63.12 3im2 s THR 2132Cb -0.22 -3.49 0.25 0.00 0.01 0.00 0.00 72.50 69.05 3im2 s THR 2132CO 0.27 0.02 0.83 -0.81 -0.69 0.00 0.00 174.62 174.24 3im2 n PRO 2133N 4.95 -3.02 -0.98 4.92 -0.04 -1.26 -0.71 135.00 138.85 3im2 n PRO 2133Ca 0.14 -1.34 -0.29 0.00 -0.04 0.00 0.00 63.50 61.97 3im2 n PRO 2133Cb 0.42 -1.34 0.18 0.00 -0.04 0.00 0.00 33.50 32.72 3im2 n PRO 2133CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3im2 s THR 2134N -2.43 2.30 0.36 0.52 -4.23 -1.26 -4.25 115.64 106.64 3im2 s THR 2134Ca 0.56 0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.88 3im2 s THR 2134Cb -0.06 -2.43 -0.11 0.00 1.34 0.00 0.00 72.50 71.23 3im2 s THR 2134CO 0.43 -0.13 1.49 -1.20 -0.54 0.00 0.00 174.62 174.68 3im2 n SER 2135N -4.25 3.72 0.00 3.99 7.64 -1.26 -4.64 113.62 118.81 3im2 n SER 2135Ca 0.06 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.15 3im2 n SER 2135Cb 0.55 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 3im2 n SER 2135CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3im2 n GLY 2136N 0.78 0.52 3.72 0.23 0.00 -0.68 -4.94 105.19 104.82 3im2 n GLY 2136Ca 0.03 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 3im2 n GLY 2136CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3im2 s LYS 2137N -0.62 4.36 -0.04 1.61 2.20 -1.26 -1.67 119.74 124.31 3im2 s LYS 2137Ca 0.00 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.19 3im2 s LYS 2137Cb 0.00 -3.44 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3im2 s LYS 2137CO 0.00 0.13 -0.16 -1.01 -0.36 0.00 0.00 175.35 173.95 3im2 s HIS 2138N 0.70 1.60 -0.41 4.03 3.76 -0.62 -5.02 115.29 119.33 3im2 s HIS 2138Ca 0.28 -0.44 -0.16 0.00 -0.15 0.00 0.00 55.06 54.59 3im2 s HIS 2138Cb -0.16 -1.08 0.02 0.00 1.11 0.00 0.00 32.58 32.47 3im2 s HIS 2138CO 0.12 -0.15 0.39 1.21 -0.85 0.00 0.00 174.74 175.47 3im2 s ASN 2139N 0.02 6.17 0.09 1.40 3.84 -1.26 -1.61 114.94 123.59 3im2 s ASN 2139Ca -0.03 -0.69 0.04 0.00 0.21 0.00 0.00 52.86 52.39 3im2 s ASN 2139Cb -0.11 -2.20 -0.04 0.00 -0.55 0.00 0.00 41.25 38.35 3im2 s ASN 2139CO 0.02 -0.52 0.04 -0.76 -2.79 0.00 0.00 177.10 173.08 3im2 s LEU 2140N 2.01 3.62 -0.03 3.21 1.43 -0.03 -4.35 118.68 124.54 3im2 s LEU 2140Ca 0.10 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3im2 s LEU 2140Cb -0.17 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3im2 s LEU 2140CO 0.12 0.17 -0.17 -0.89 0.23 0.00 0.00 176.35 175.82 3im2 s THR 2141N -1.37 1.35 -0.19 5.49 2.01 -0.16 -1.01 115.64 121.76 3im2 s THR 2141Ca 0.28 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 3im2 s THR 2141Cb -0.12 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3im2 s THR 2141CO 0.20 0.39 0.06 -0.63 -0.69 0.00 0.00 174.62 173.95 3im2 s ILE 2142N -0.16 4.68 -0.05 1.82 1.01 0.60 -1.89 121.20 127.20 3im2 s ILE 2142Ca 0.01 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.63 3im2 s ILE 2142Cb -0.09 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 3im2 s ILE 2142CO 0.01 0.45 -0.16 0.26 0.00 0.00 0.00 174.94 175.50 3im2 s TRP 2143N 0.53 2.67 -0.30 3.97 0.51 0.05 -0.77 118.94 125.59 3im2 s TRP 2143Ca 0.03 -0.22 0.01 0.00 -2.12 0.00 0.00 56.10 53.80 3im2 s TRP 2143Cb -0.13 -1.63 0.07 0.00 -0.81 0.00 0.00 33.47 30.98 3im2 s TRP 2143CO 0.01 0.14 -0.01 0.00 -0.51 0.00 0.00 176.95 176.58 3im2 s VAL 2145N 1.10 2.29 0.16 0.00 1.01 -0.07 -1.97 120.40 122.91 3im2 s VAL 2145Ca -0.02 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 3im2 s VAL 2145Cb -0.20 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 3im2 s VAL 2145CO -0.05 0.53 0.81 0.00 0.00 0.00 0.00 175.10 176.39 3im2 n ASP 2147N 1.79 0.62 0.00 0.00 5.75 0.06 -4.44 116.55 120.34 3im2 n ASP 2147Ca -0.04 -0.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 3im2 n ASP 2147Cb 0.49 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3im2 n ASP 2147CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3im2 n SER 2148N -0.65 0.61 -4.20 -1.12 7.64 -1.26 -4.06 113.62 110.58 3im2 n SER 2148Ca 0.19 -0.21 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 3im2 n SER 2148Cb 0.25 0.53 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 3im2 n SER 2148CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3im2 s TYR 2149N -0.66 1.01 0.05 1.43 2.02 -1.26 -4.56 117.35 115.38 3im2 s TYR 2149Ca 0.00 -0.96 0.01 0.00 -0.37 0.00 0.00 57.07 55.75 3im2 s TYR 2149Cb 0.00 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 3im2 s TYR 2149CO 0.00 -0.18 0.11 -0.51 -1.57 0.00 0.00 175.55 173.40 3im2 s LEU 2150N -3.09 3.97 0.00 -1.29 1.02 -1.26 -4.68 118.68 113.35 3im2 s LEU 2150Ca 0.17 0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.42 3im2 s LEU 2150Cb 0.06 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.73 3im2 s LEU 2150CO -0.01 0.20 0.00 -0.67 0.02 0.00 0.00 176.35 175.89 3im2 n ASP 2151N 0.62 -1.67 -1.12 2.29 2.03 -1.26 -4.89 116.55 112.56 3im2 n ASP 2151Ca -0.09 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.34 3im2 n ASP 2151Cb 0.52 -0.57 0.20 0.00 -0.72 0.00 0.00 41.12 40.54 3im2 n ASP 2151CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3im2 n ALA 2152N 1.00 2.42 -1.76 -1.67 0.00 -1.26 -5.00 120.51 114.25 3im2 n ALA 2152Ca 0.00 -0.96 -0.32 0.00 0.00 0.00 0.00 53.44 52.16 3im2 n ALA 2152Cb 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3im2 n ALA 2152CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3im2 s ASP 2153N -1.54 6.21 0.05 0.00 1.01 -1.26 -4.74 116.67 116.39 3im2 s ASP 2153Ca 0.37 1.70 0.05 0.00 0.71 0.00 0.00 52.55 55.38 3im2 s ASP 2153Cb 0.22 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 3im2 s ASP 2153CO 0.31 -0.87 -0.14 -0.54 0.21 0.00 0.00 175.17 174.14 3im2 s LYS 2154N -4.04 0.91 0.03 8.23 -0.14 -0.83 -5.01 119.74 118.89 3im2 s LYS 2154Ca 0.61 -0.81 -0.01 0.00 -1.36 0.00 0.00 55.97 54.40 3im2 s LYS 2154Cb -0.13 -0.92 -0.02 0.00 -1.68 0.00 0.00 37.83 35.07 3im2 s LYS 2154CO 0.33 0.22 -0.01 -1.83 -0.76 0.00 0.00 175.35 173.31 3im2 s GLU 2155N -1.29 0.42 -0.03 1.68 -1.05 -1.26 -0.14 118.70 117.03 3im2 s GLU 2155Ca 0.01 -0.76 -0.01 0.00 -0.15 0.00 0.00 54.97 54.06 3im2 s GLU 2155Cb -0.08 0.15 0.03 0.00 -0.44 0.00 0.00 34.13 33.79 3im2 s GLU 2155CO 0.02 -0.08 0.06 -1.17 0.95 0.00 0.00 175.26 175.03 3im2 s LEU 2156N -1.89 0.97 0.01 1.83 0.20 0.05 -5.00 118.68 114.85 3im2 s LEU 2156Ca -0.09 0.10 0.05 0.00 0.69 0.00 0.00 54.13 54.88 3im2 s LEU 2156Cb -0.05 0.03 -0.03 0.00 -0.43 0.00 0.00 46.19 45.71 3im2 s LEU 2156CO -0.03 -0.14 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.31 3im2 s SER 2157N 1.12 4.12 0.09 3.68 0.01 -1.26 -0.29 113.70 121.17 3im2 s SER 2157Ca -0.09 -0.28 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 3im2 s SER 2157Cb -0.13 -0.82 0.03 0.00 0.21 0.00 0.00 66.02 65.32 3im2 s SER 2157CO -0.04 0.29 0.39 0.72 0.41 0.00 0.00 173.24 175.01 3im2 s PHE 2158N -0.90 -0.21 -0.09 2.43 -0.12 -0.18 -5.01 117.98 113.89 3im2 s PHE 2158Ca 0.15 0.01 -0.03 0.00 -0.05 0.00 0.00 56.93 57.01 3im2 s PHE 2158Cb -0.11 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 3im2 s PHE 2158CO 0.05 -0.63 0.02 -2.00 -0.05 0.00 0.00 175.22 172.60 3im2 s GLU 2159N -3.20 3.08 0.15 1.99 2.12 -1.26 -0.85 118.70 120.73 3im2 s GLU 2159Ca -0.01 -0.37 0.10 0.00 0.36 0.00 0.00 54.97 55.05 3im2 s GLU 2159Cb 0.01 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 3im2 s GLU 2159CO -0.08 0.69 -0.22 0.96 -0.54 0.00 0.00 175.26 176.07 3im2 s ILE 2160N -0.84 2.01 -0.19 -3.70 -4.36 -0.63 -4.93 121.20 108.57 3im2 s ILE 2160Ca 0.13 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 3im2 s ILE 2160Cb -0.11 -1.87 0.04 0.00 1.25 0.00 0.00 42.46 41.76 3im2 s ILE 2160CO 0.02 -0.12 -0.09 0.20 0.24 0.00 0.00 174.94 175.19 3im2 s ASN 2161N -2.35 3.18 -0.24 4.36 0.01 -1.26 -1.59 114.94 117.04 3im2 s ASN 2161Ca 0.14 -0.79 -0.17 0.00 -0.71 0.00 0.00 52.86 51.33 3im2 s ASN 2161Cb -0.08 -1.15 -0.03 0.00 0.41 0.00 0.00 41.25 40.40 3im2 s ASN 2161CO 0.07 -0.15 0.48 -0.69 -1.51 0.00 0.00 177.10 175.30 3im2 s VAL 2162N 1.47 5.11 -2.00 1.60 1.01 -0.67 -3.99 120.40 122.92 3im2 s VAL 2162Ca -0.00 0.82 0.28 0.00 0.00 0.00 0.00 61.98 63.08 3im2 s VAL 2162Cb -0.16 -3.79 0.81 0.00 0.00 0.00 0.00 36.38 33.24 3im2 s VAL 2162CO -0.08 0.14 2.04 1.17 0.00 0.00 0.00 175.10 178.37