#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t70 s ARG 1802N 0.00 3.01 -0.05 0.03 0.52 -1.26 0.11 118.95 121.30 1t70 s ARG 1802Ca 0.00 -0.99 -0.00 0.00 -0.52 0.00 0.00 55.73 54.22 1t70 s ARG 1802Cb 0.00 -3.91 0.03 0.00 0.52 0.00 0.00 34.95 31.59 1t70 s ARG 1802CO 0.00 -0.70 -0.00 0.14 0.02 0.00 0.00 175.30 174.76 1t70 s VAL 1803N 1.66 0.31 -0.13 3.52 -7.23 -1.02 -0.12 120.40 117.39 1t70 s VAL 1803Ca 0.05 0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.20 1t70 s VAL 1803Cb -0.19 -0.44 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 1t70 s VAL 1803CO 0.09 0.22 0.23 -0.22 -0.31 0.00 0.00 175.10 175.11 1t70 s LEU 1804N 1.55 4.32 -0.10 1.32 2.96 -0.75 -1.68 118.68 126.29 1t70 s LEU 1804Ca -0.02 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 1t70 s LEU 1804Cb -0.13 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1t70 s LEU 1804CO -0.03 0.24 -0.17 0.12 -1.32 0.00 0.00 176.35 175.20 1t70 s PHE 1805N -0.25 2.70 -0.17 5.38 2.19 -1.17 -0.52 117.98 126.14 1t70 s PHE 1805Ca 0.16 -0.63 0.01 0.00 0.33 0.00 0.00 56.93 56.79 1t70 s PHE 1805Cb -0.13 -1.75 0.01 0.00 -1.31 0.00 0.00 43.02 39.84 1t70 s PHE 1805CO 0.04 -0.17 -0.17 0.42 1.83 0.00 0.00 175.22 177.17 1t70 s ILE 1806N 0.07 2.37 0.73 3.12 1.01 -0.03 -0.71 121.20 127.76 1t70 s ILE 1806Ca -0.07 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1t70 s ILE 1806Cb -0.15 -1.99 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1t70 s ILE 1806CO 0.05 0.52 1.09 -0.83 0.00 0.00 0.00 174.94 175.77 1t70 s GLY 1807N 1.06 1.79 0.00 6.18 0.00 -0.06 -1.72 107.32 114.57 1t70 s GLY 1807Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1t70 s GLY 1807CO -0.06 0.64 0.00 1.22 0.00 0.00 0.00 173.10 174.90 1t70 n ASP 1808N -3.18 0.00 -4.74 1.64 9.92 -1.22 -3.75 116.55 115.22 1t70 n ASP 1808Ca 0.09 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.94 1t70 n ASP 1808Cb 0.53 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.96 1t70 n ASP 1808CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1t70 s VAL 1809N 0.00 4.13 -0.24 2.53 1.01 -0.54 -1.95 120.40 125.34 1t70 s VAL 1809Ca 0.00 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.83 1t70 s VAL 1809Cb 0.00 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1t70 s VAL 1809CO 0.00 0.32 -0.05 0.12 0.00 0.00 0.00 175.10 175.49 1t70 s PHE 1810N -0.28 2.38 0.00 5.22 5.36 -0.75 -2.33 117.98 127.58 1t70 s PHE 1810Ca 0.47 -1.76 0.00 0.00 -0.96 0.00 0.00 56.93 54.69 1t70 s PHE 1810Cb -0.27 -1.59 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 1t70 s PHE 1810CO 0.33 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.72 1t70 n GLY 1811N 4.68 0.43 0.34 13.12 0.00 -0.63 -1.85 105.19 121.28 1t70 n GLY 1811Ca -0.12 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1t70 n GLY 1811CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1t70 h GLN 1812N 0.00 -0.80 -0.74 1.61 4.20 -1.93 -1.84 115.11 115.62 1t70 h GLN 1812Ca 0.00 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.90 1t70 h GLN 1812Cb 0.00 0.18 -0.14 0.00 0.30 0.00 0.00 27.48 27.82 1t70 h GLN 1812CO 0.00 -0.50 -0.27 -1.35 -0.67 0.00 0.00 178.83 176.04 1t70 h PRO 1813N -0.91 -0.06 0.02 1.46 0.11 -1.88 0.73 132.00 131.48 1t70 h PRO 1813Ca -0.08 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.06 1t70 h PRO 1813Cb 0.66 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.73 1t70 h PRO 1813CO 0.14 -0.04 -0.36 0.78 -0.21 0.00 0.00 178.00 178.32 1t70 h GLY 1814N -0.06 -0.63 0.58 -0.55 0.00 -1.28 -1.74 103.07 99.39 1t70 h GLY 1814Ca 0.32 0.43 0.09 0.00 0.00 0.00 0.00 47.33 48.17 1t70 h GLY 1814CO -0.78 -0.24 0.58 3.21 0.00 0.00 0.00 176.54 179.31 1t70 h ARG 1815N -0.53 0.96 -0.29 4.80 3.08 0.09 -1.39 114.38 121.10 1t70 h ARG 1815Ca 0.05 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1t70 h ARG 1815Cb 0.60 -0.22 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 1t70 h ARG 1815CO -0.27 0.63 -0.32 -0.09 -1.07 0.00 0.00 179.97 178.85 1t70 h ARG 1816N 0.98 -0.29 0.00 0.04 2.43 0.13 -1.54 114.38 116.13 1t70 h ARG 1816Ca 0.44 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.48 1t70 h ARG 1816Cb 0.34 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1t70 h ARG 1816CO -0.23 -0.20 -0.73 -0.39 -1.51 0.00 0.00 179.97 176.92 1t70 h VAL 1817N -0.30 1.23 0.00 0.20 -1.51 -1.29 -2.37 116.25 112.20 1t70 h VAL 1817Ca 0.14 -2.74 -0.06 0.00 -1.23 0.00 0.00 66.70 62.82 1t70 h VAL 1817Cb 0.54 2.60 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 1t70 h VAL 1817CO -0.46 0.70 -0.26 0.25 -1.23 0.00 0.00 177.57 176.56 1t70 h LEU 1818N 0.00 0.00 0.00 4.19 7.12 -0.85 0.72 115.31 126.49 1t70 h LEU 1818Ca -0.01 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.72 1t70 h LEU 1818Cb 1.55 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.63 1t70 h LEU 1818CO 0.09 0.26 -2.06 0.00 -0.13 0.00 0.00 178.44 176.61 1t70 n GLN 1819N -3.94 0.66 0.12 1.25 6.02 -0.62 -3.35 117.38 117.54 1t70 n GLN 1819Ca -0.02 0.06 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1t70 n GLN 1819Cb 0.34 -1.62 0.08 0.00 1.02 0.00 0.00 30.24 30.06 1t70 n GLN 1819CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1t70 h ASN 1820N 0.00 0.00 0.00 1.08 4.21 -1.32 -3.41 115.58 116.14 1t70 h ASN 1820Ca -0.37 -0.04 -0.32 0.00 1.21 0.00 0.00 56.30 56.78 1t70 h ASN 1820Cb 1.95 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 39.10 1t70 h ASN 1820CO 0.04 0.02 -2.06 1.57 -1.29 0.00 0.00 177.43 175.70 1t70 n HIS 1821N -2.66 0.00 -0.34 1.19 -0.00 0.24 -4.64 115.22 109.01 1t70 n HIS 1821Ca 0.02 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.24 1t70 n HIS 1821Cb 0.52 -0.68 0.11 0.00 -0.12 0.00 0.00 29.99 29.82 1t70 n HIS 1821CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1t70 n LEU 1822N -3.80 -0.39 -0.31 0.27 0.00 -1.21 -0.09 117.00 111.45 1t70 n LEU 1822Ca -0.37 1.60 0.10 0.00 0.00 0.00 0.00 56.01 57.33 1t70 n LEU 1822Cb 0.77 -0.46 0.31 0.00 0.00 0.00 0.00 43.42 44.05 1t70 n LEU 1822CO 0.03 -1.51 1.23 1.55 0.00 0.00 0.00 177.39 178.69 1t70 h PRO 1823N 0.00 0.81 0.00 1.96 0.13 -1.79 0.18 132.00 133.30 1t70 h PRO 1823Ca 0.42 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.48 1t70 h PRO 1823Cb 0.65 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1t70 h PRO 1823CO -0.94 0.54 -0.06 1.79 -0.23 0.00 0.00 178.00 179.10 1t70 h THR 1824N 0.84 0.77 -0.02 1.56 1.35 -0.76 -2.97 112.91 113.67 1t70 h THR 1824Ca 0.47 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1t70 h THR 1824Cb 0.60 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1t70 h THR 1824CO -0.23 0.06 0.00 2.30 -0.25 0.00 0.00 175.52 177.39 1t70 n ILE 1825N -4.07 0.35 -0.24 6.82 -5.35 -0.70 -4.70 119.36 111.47 1t70 n ILE 1825Ca -0.03 -0.67 -0.07 0.00 -0.27 0.00 0.00 62.75 61.71 1t70 n ILE 1825Cb 0.14 0.85 0.04 0.00 -1.74 0.00 0.00 39.64 38.93 1t70 n ILE 1825CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1t70 h ARG 1826N 0.30 1.02 -1.01 6.28 1.12 -0.50 -2.80 114.38 118.78 1t70 h ARG 1826Ca 0.00 -0.20 0.27 0.00 -1.11 0.00 0.00 59.98 58.94 1t70 h ARG 1826Cb 0.23 -0.15 -0.06 0.00 -0.01 0.00 0.00 29.97 29.97 1t70 h ARG 1826CO 0.00 0.87 0.70 -1.35 -3.11 0.00 0.00 179.97 177.07 1t70 h PRO 1827N 0.95 0.18 0.00 0.20 0.11 -1.84 0.27 132.00 131.87 1t70 h PRO 1827Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1t70 h PRO 1827Cb 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1t70 h PRO 1827CO -0.01 0.12 0.00 1.04 -0.21 0.00 0.00 178.00 178.93 1t70 n GLN 1828N -4.39 0.83 -4.29 1.05 6.02 -1.05 -4.78 117.38 110.77 1t70 n GLN 1828Ca 0.22 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 57.03 1t70 n GLN 1828Cb 0.96 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.64 1t70 n GLN 1828CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1t70 s PHE 1829N -2.00 1.53 -0.13 1.08 0.08 0.96 -4.94 117.98 114.57 1t70 s PHE 1829Ca 0.39 -0.58 -0.08 0.00 0.12 0.00 0.00 56.93 56.77 1t70 s PHE 1829Cb 0.18 -0.76 -0.25 0.00 -0.57 0.00 0.00 43.02 41.61 1t70 s PHE 1829CO 0.30 0.22 0.35 -0.25 -0.10 0.00 0.00 175.22 175.74 1t70 n ASP 1830N 0.10 2.10 -4.05 1.36 8.00 0.84 -4.96 116.55 119.94 1t70 n ASP 1830Ca -0.12 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1t70 n ASP 1830Cb 0.59 -0.87 -0.13 0.00 -0.02 0.00 0.00 41.12 40.68 1t70 n ASP 1830CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1t70 s PHE 1831N -2.54 0.75 -0.28 1.24 5.99 -1.15 -5.06 117.98 116.93 1t70 s PHE 1831Ca -0.23 -0.33 0.01 0.00 0.00 0.00 0.00 56.93 56.37 1t70 s PHE 1831Cb 0.07 -0.45 0.08 0.00 0.00 0.00 0.00 43.02 42.72 1t70 s PHE 1831CO 0.75 -0.03 0.03 0.08 -0.00 0.00 0.00 175.22 176.05 1t70 s VAL 1832N -0.85 1.38 0.07 3.12 1.01 -1.26 -1.81 120.40 122.07 1t70 s VAL 1832Ca -0.03 -1.46 -0.17 0.00 0.00 0.00 0.00 61.98 60.32 1t70 s VAL 1832Cb -0.07 -1.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.37 1t70 s VAL 1832CO 0.00 -0.41 0.53 -0.63 0.00 0.00 0.00 175.10 174.59 1t70 s ILE 1833N 1.41 4.83 -0.07 2.22 1.01 0.32 0.15 121.20 131.07 1t70 s ILE 1833Ca 0.03 1.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 1t70 s ILE 1833Cb -0.18 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1t70 s ILE 1833CO -0.13 0.49 0.13 -0.69 0.00 0.00 0.00 174.94 174.74 1t70 s VAL 1834N -1.19 -0.15 -0.13 2.92 1.01 0.02 -0.85 120.40 122.05 1t70 s VAL 1834Ca 0.30 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 1t70 s VAL 1834Cb -0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1t70 s VAL 1834CO 0.18 0.12 1.04 0.21 0.00 0.00 0.00 175.10 176.65 1t70 s ASN 1835N 1.74 7.18 -0.05 3.32 3.84 -0.70 -1.71 114.94 128.55 1t70 s ASN 1835Ca -0.03 1.53 0.09 0.00 0.21 0.00 0.00 52.86 54.67 1t70 s ASN 1835Cb -0.12 -2.55 0.23 0.00 -0.55 0.00 0.00 41.25 38.26 1t70 s ASN 1835CO -0.05 -0.52 1.17 0.23 -2.79 0.00 0.00 177.10 175.14 1t70 n MET 1836N 5.37 2.66 -0.34 0.43 2.81 0.23 -1.47 117.12 126.82 1t70 n MET 1836Ca 0.10 -2.07 0.20 0.00 -1.81 0.00 0.00 57.70 54.12 1t70 n MET 1836Cb 0.48 -1.30 0.38 0.00 -0.71 0.00 0.00 33.22 32.06 1t70 n MET 1836CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1t70 n GLU 1837N -0.33 -0.07 -0.97 0.03 2.13 -1.25 -0.51 120.64 119.67 1t70 n GLU 1837Ca 0.10 1.45 -0.05 0.00 0.66 0.00 0.00 57.16 59.32 1t70 n GLU 1837Cb 0.47 -2.39 0.29 0.00 0.27 0.00 0.00 31.44 30.08 1t70 n GLU 1837CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1t70 n ASN 1838N -5.42 4.56 -0.03 4.31 3.02 -1.18 -0.46 115.26 120.07 1t70 n ASN 1838Ca 0.28 -3.27 -0.13 0.00 -0.03 0.00 0.00 54.58 51.43 1t70 n ASN 1838Cb 0.92 -0.73 -0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1t70 n ASN 1838CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1t70 h SER 1839N 2.42 -1.53 -3.57 6.41 0.02 -0.39 -1.59 113.55 115.33 1t70 h SER 1839Ca 0.26 0.20 -0.60 0.00 -0.84 0.00 0.00 61.79 60.80 1t70 h SER 1839Cb 2.24 0.62 -0.10 0.00 0.14 0.00 0.00 62.40 65.29 1t70 h SER 1839CO 0.69 -0.44 0.51 0.00 -1.14 0.00 0.00 176.83 176.45 1t70 s ALA 1840N -5.80 3.35 -0.30 3.77 0.00 0.36 -3.06 121.76 120.08 1t70 s ALA 1840Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1t70 s ALA 1840Cb 0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1t70 s ALA 1840CO 0.63 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1t70 n GLY 1841N 4.66 0.27 0.00 0.00 0.00 -1.26 -0.38 105.19 108.48 1t70 n GLY 1841Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1t70 n GLY 1841CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t70 n GLY 1842N -0.03 2.90 2.85 -0.02 0.00 -1.04 -4.77 105.19 105.07 1t70 n GLY 1842Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1t70 n GLY 1842CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t70 s PHE 1843N -2.58 1.31 0.21 1.61 0.08 0.49 -4.43 117.98 114.67 1t70 s PHE 1843Ca 0.00 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.32 1t70 s PHE 1843Cb 0.00 -1.13 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 1t70 s PHE 1843CO 0.00 -0.51 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 1t70 n GLY 1844N 4.98 -2.08 3.34 4.36 0.00 0.39 -4.27 105.19 111.91 1t70 n GLY 1844Ca -0.11 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1t70 n GLY 1844CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t70 s MET 1845N -2.31 2.86 0.45 1.61 1.75 -1.26 0.13 119.30 122.53 1t70 s MET 1845Ca 0.00 -0.79 0.08 0.00 -1.25 0.00 0.00 55.69 53.73 1t70 s MET 1845Cb 0.00 -2.37 0.00 0.00 2.84 0.00 0.00 34.83 35.31 1t70 s MET 1845CO 0.00 0.36 0.48 -3.38 -0.65 0.00 0.00 175.02 171.82 1t70 s HIS 1846N -0.06 2.50 0.26 4.11 -3.43 -1.26 -4.17 115.29 113.25 1t70 s HIS 1846Ca -0.05 -0.52 -0.01 0.00 -0.80 0.00 0.00 55.06 53.68 1t70 s HIS 1846Cb -0.14 -2.21 0.48 0.00 -1.43 0.00 0.00 32.58 29.28 1t70 s HIS 1846CO 0.04 -0.34 1.82 -0.09 -2.00 0.00 0.00 174.74 174.17 1t70 h ARG 1847N 0.81 0.86 -0.71 -0.38 2.43 -1.98 -1.93 114.38 113.48 1t70 h ARG 1847Ca -0.39 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1t70 h ARG 1847Cb 1.28 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1t70 h ARG 1847CO 0.52 0.57 0.36 -0.44 -1.51 0.00 0.00 179.97 179.47 1t70 h ASP 1848N 0.88 0.91 0.78 -3.80 3.45 -1.99 -1.89 116.42 114.76 1t70 h ASP 1848Ca 0.45 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.75 1t70 h ASP 1848Cb 0.45 -0.23 0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1t70 h ASP 1848CO -0.27 0.77 -0.38 0.00 -1.57 0.00 0.00 179.24 177.80 1t70 h ALA 1849N 1.18 -1.27 -0.84 3.45 0.00 -1.76 -1.17 119.26 118.84 1t70 h ALA 1849Ca 0.25 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1t70 h ALA 1849Cb 0.09 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1t70 h ALA 1849CO -0.03 -1.20 0.60 0.00 0.00 0.00 0.00 179.25 178.62 1t70 h ALA 1850N -1.51 2.74 0.33 0.00 0.00 -1.43 -1.45 119.26 117.94 1t70 h ALA 1850Ca -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1t70 h ALA 1850Cb 0.81 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1t70 h ALA 1850CO 0.18 -0.99 -0.16 -0.09 0.00 0.00 0.00 179.25 178.19 1t70 h ARG 1851N 0.04 -0.43 -0.58 0.00 2.43 -1.06 -3.22 114.38 111.56 1t70 h ARG 1851Ca 0.40 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.74 1t70 h ARG 1851Cb 1.56 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 31.18 1t70 h ARG 1851CO -0.02 -0.24 0.40 0.78 -1.51 0.00 0.00 179.97 179.38 1t70 h GLY 1852N -1.10 0.30 0.99 2.80 0.00 -0.75 -1.15 103.07 104.16 1t70 h GLY 1852Ca -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1t70 h GLY 1852CO 0.07 0.04 0.24 0.00 0.00 0.00 0.00 176.54 176.89 1t70 h ALA 1853N 1.72 0.49 -0.26 3.60 0.00 -1.36 -2.30 119.26 121.14 1t70 h ALA 1853Ca 0.28 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1t70 h ALA 1853Cb 0.83 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1t70 h ALA 1853CO -0.05 -0.03 -0.49 -0.07 0.00 0.00 0.00 179.25 178.62 1t70 h LEU 1854N 0.51 0.88 -2.17 0.00 3.38 -1.33 -0.98 115.31 115.60 1t70 h LEU 1854Ca 0.14 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1t70 h LEU 1854Cb -0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1t70 h LEU 1854CO -0.03 1.25 0.00 -0.08 0.09 0.00 0.00 178.44 179.67 1t70 h GLU 1855N 0.54 0.00 0.01 1.13 4.57 -1.01 -2.26 114.58 117.55 1t70 h GLU 1855Ca 0.01 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.84 1t70 h GLU 1855Cb 1.09 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.62 1t70 h GLU 1855CO 0.11 0.00 -2.17 0.00 -1.18 0.00 0.00 179.01 175.76 1t70 n ALA 1856N -1.93 1.46 0.00 2.92 0.00 -0.89 -4.99 120.51 117.09 1t70 n ALA 1856Ca -0.02 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1t70 n ALA 1856Cb 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1t70 n ALA 1856CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t70 n GLY 1857N 1.75 0.05 3.76 0.00 0.00 -0.85 -3.63 105.19 106.27 1t70 n GLY 1857Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1t70 n GLY 1857CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t70 s ALA 1858N 0.00 3.66 -0.25 4.61 0.00 -0.40 -4.27 121.76 125.12 1t70 s ALA 1858Ca 0.00 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.49 1t70 s ALA 1858Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1t70 s ALA 1858CO 0.00 -0.93 0.81 0.41 0.00 0.00 0.00 175.76 176.05 1t70 n GLY 1859N 1.63 0.82 3.65 0.00 0.00 0.12 -4.35 105.19 107.07 1t70 n GLY 1859Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1t70 n GLY 1859CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t70 s LEU 1861N 0.62 2.36 0.35 0.00 2.01 -1.01 -0.79 118.68 122.22 1t70 s LEU 1861Ca -0.01 -0.51 0.08 0.00 0.01 0.00 0.00 54.13 53.69 1t70 s LEU 1861Cb -0.04 -1.53 -0.03 0.00 0.01 0.00 0.00 46.19 44.61 1t70 s LEU 1861CO -0.12 0.08 0.29 0.42 1.01 0.00 0.00 176.35 178.03 1t70 s THR 1862N 0.82 3.30 0.00 5.49 -4.23 -0.70 -1.04 115.64 119.29 1t70 s THR 1862Ca -0.06 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1t70 s THR 1862Cb -0.15 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1t70 s THR 1862CO -0.01 -0.14 0.00 0.18 -0.54 0.00 0.00 174.62 174.11 1t70 n LEU 1863N -1.37 0.00 0.00 4.79 4.77 -0.86 -0.60 117.00 123.72 1t70 n LEU 1863Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1t70 n LEU 1863Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1t70 n LEU 1863CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1t70 n GLY 1864N 0.00 -0.51 0.00 -0.72 0.00 -1.26 -4.65 105.19 98.05 1t70 n GLY 1864Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1t70 n GLY 1864CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t70 n ASN 1865N 0.00 0.00 -1.62 1.61 2.85 -1.26 0.22 115.26 117.06 1t70 n ASN 1865Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1t70 n ASN 1865Cb 0.00 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.10 1t70 n ASN 1865CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1t70 n HIS 1866N -2.18 1.48 -0.26 1.20 8.25 -1.26 -4.57 115.22 117.89 1t70 n HIS 1866Ca 0.00 -1.23 0.12 0.00 -0.26 0.00 0.00 57.72 56.35 1t70 n HIS 1866Cb 0.00 -0.62 0.38 0.00 1.12 0.00 0.00 29.99 30.87 1t70 n HIS 1866CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t70 h ALA 1867N 1.52 1.84 -1.32 -1.41 0.00 0.23 -2.94 119.26 117.18 1t70 h ALA 1867Ca 0.31 0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.60 1t70 h ALA 1867Cb 1.81 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 19.08 1t70 h ALA 1867CO 0.55 -0.07 -0.33 0.91 0.00 0.00 0.00 179.25 180.31 1t70 n TRP 1868N -4.55 3.26 0.60 0.00 7.02 -1.26 -4.69 117.44 117.81 1t70 n TRP 1868Ca 0.17 -2.86 0.08 0.00 -1.02 0.00 0.00 57.50 53.87 1t70 n TRP 1868Cb 0.46 -0.37 0.09 0.00 -2.42 0.00 0.00 31.31 29.07 1t70 n TRP 1868CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1t70 n HIS 1869N -0.53 0.07 -3.82 -5.99 8.25 -1.20 -4.89 115.22 107.12 1t70 n HIS 1869Ca 0.43 -0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.61 1t70 n HIS 1869Cb 0.60 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.54 1t70 n HIS 1869CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1t70 s HIS 1870N -1.36 0.79 0.27 4.41 5.65 -1.26 -4.80 115.29 118.98 1t70 s HIS 1870Ca 0.21 -0.25 -0.08 0.00 0.25 0.00 0.00 55.06 55.19 1t70 s HIS 1870Cb 0.14 -0.85 0.44 0.00 -1.18 0.00 0.00 32.58 31.13 1t70 s HIS 1870CO 0.21 -0.35 1.48 0.36 -0.65 0.00 0.00 174.74 175.80 1t70 n LYS 1871N 5.03 -0.09 -0.41 2.88 0.00 -1.26 -0.70 118.16 123.61 1t70 n LYS 1871Ca -0.09 1.48 0.36 0.00 -0.00 0.00 0.00 58.31 60.06 1t70 n LYS 1871Cb 0.50 -2.21 0.56 0.00 -0.00 0.00 0.00 35.03 33.87 1t70 n LYS 1871CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1t70 n ASP 1872N -5.55 0.00 0.00 -5.58 9.92 -1.26 -1.83 116.55 112.25 1t70 n ASP 1872Ca 0.15 0.77 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 1t70 n ASP 1872Cb 0.48 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1t70 n ASP 1872CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1t70 n ILE 1873N -3.35 0.00 -0.29 0.53 5.41 0.12 -1.78 119.36 120.00 1t70 n ILE 1873Ca 0.30 1.40 0.16 0.00 1.00 0.00 0.00 62.75 65.61 1t70 n ILE 1873Cb 1.57 -2.27 0.31 0.00 -0.71 0.00 0.00 39.64 38.53 1t70 n ILE 1873CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1t70 n TYR 1874N -1.92 0.64 -0.02 1.39 4.01 -0.76 -0.53 117.16 119.97 1t70 n TYR 1874Ca 0.00 1.04 -0.15 0.00 -0.16 0.00 0.00 57.90 58.63 1t70 n TYR 1874Cb 0.00 -1.21 -0.11 0.00 -0.31 0.00 0.00 39.34 37.72 1t70 n TYR 1874CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1t70 h PRO 1875N 0.00 0.25 -0.99 -0.72 0.13 -1.69 -1.52 132.00 127.45 1t70 h PRO 1875Ca 0.57 -0.23 0.22 0.00 -0.87 0.00 0.00 66.00 65.69 1t70 h PRO 1875Cb 1.25 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 1t70 h PRO 1875CO -0.78 0.92 0.58 0.52 -0.23 0.00 0.00 178.00 179.01 1t70 h MET 1876N -0.34 0.61 -0.05 0.86 2.86 0.02 0.55 114.93 119.44 1t70 h MET 1876Ca -0.03 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.37 1t70 h MET 1876Cb 1.00 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1t70 h MET 1876CO 0.06 0.40 -0.82 -0.07 1.06 0.00 0.00 176.91 177.55 1t70 h LEU 1877N 0.63 0.54 0.04 1.22 3.38 -1.12 -3.28 115.31 116.71 1t70 h LEU 1877Ca 0.61 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1t70 h LEU 1877Cb 1.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1t70 h LEU 1877CO -0.45 1.15 -0.02 -1.28 0.09 0.00 0.00 178.44 177.93 1t70 h SER 1878N 0.28 -0.05 0.00 -0.43 0.87 0.42 -2.99 113.55 111.65 1t70 h SER 1878Ca -0.05 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1t70 h SER 1878Cb 1.42 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1t70 h SER 1878CO 0.14 0.34 0.00 -1.84 -0.53 0.00 0.00 176.83 174.94 1t70 n GLU 1879N -4.94 0.78 0.00 2.24 0.28 0.16 -4.87 120.64 114.29 1t70 n GLU 1879Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1t70 n GLU 1879Cb 0.21 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 31.97 1t70 n GLU 1879CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1t70 n ASP 1880N 1.05 0.00 0.00 -1.84 -0.08 -1.13 -4.62 116.55 109.93 1t70 n ASP 1880Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1t70 n ASP 1880Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1t70 n ASP 1880CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1t70 n THR 1881N 0.00 0.00 -1.54 5.18 -2.24 -1.26 -5.04 114.28 109.38 1t70 n THR 1881Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1t70 n THR 1881Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1t70 n THR 1881CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1t70 n TYR 1882N -0.89 0.46 -2.18 4.78 4.02 -1.26 -4.83 117.16 117.26 1t70 n TYR 1882Ca 0.00 0.61 -0.42 0.00 -0.01 0.00 0.00 57.90 58.08 1t70 n TYR 1882Cb 0.00 -2.13 -0.00 0.00 -0.02 0.00 0.00 39.34 37.19 1t70 n TYR 1882CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1t70 n PRO 1883N 0.42 2.97 -3.85 -0.72 -0.04 -1.26 -4.97 135.00 127.54 1t70 n PRO 1883Ca 0.11 -2.94 -0.27 0.00 -0.04 0.00 0.00 63.50 60.35 1t70 n PRO 1883Cb 0.38 -3.41 -0.03 0.00 -0.04 0.00 0.00 33.50 30.40 1t70 n PRO 1883CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1t70 s ILE 1884N 4.02 5.29 -0.15 0.52 1.01 -1.26 -2.39 121.20 128.24 1t70 s ILE 1884Ca 0.52 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 1t70 s ILE 1884Cb 0.08 -3.73 0.06 0.00 0.01 0.00 0.00 42.46 38.89 1t70 s ILE 1884CO 0.01 -0.10 0.13 -0.69 0.00 0.00 0.00 174.94 174.29 1t70 s VAL 1885N -1.77 -0.17 0.35 2.92 1.01 -0.20 -4.68 120.40 117.87 1t70 s VAL 1885Ca 0.36 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1t70 s VAL 1885Cb -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1t70 s VAL 1885CO 0.29 -0.16 0.53 0.00 0.00 0.00 0.00 175.10 175.76 1t70 s ARG 1886N 2.20 3.31 0.33 2.72 1.04 -0.84 -2.04 118.95 125.68 1t70 s ARG 1886Ca 0.04 -0.57 -0.25 0.00 -1.04 0.00 0.00 55.73 53.90 1t70 s ARG 1886Cb -0.15 -2.71 -0.15 0.00 -2.04 0.00 0.00 34.95 29.91 1t70 s ARG 1886CO -0.09 0.08 0.57 -2.30 -0.04 0.00 0.00 175.30 173.52 1t70 n PRO 1887N -1.76 0.48 0.02 3.89 -0.02 -1.26 -3.98 135.00 132.36 1t70 n PRO 1887Ca -0.03 0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 1t70 n PRO 1887Cb 0.57 -1.36 -0.14 0.00 -0.02 0.00 0.00 33.50 32.55 1t70 n PRO 1887CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1t70 h LEU 1888N 1.03 0.43 -1.00 2.45 5.85 -1.07 -3.38 115.31 119.62 1t70 h LEU 1888Ca -0.36 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.47 1t70 h LEU 1888Cb 1.41 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1t70 h LEU 1888CO 0.54 1.75 0.00 -0.46 -0.34 0.00 0.00 178.44 179.93 1t70 n ASN 1889N -3.72 0.39 -4.51 1.25 6.94 -1.26 -4.55 115.26 109.80 1t70 n ASN 1889Ca -0.28 -0.78 -0.42 0.00 -0.02 0.00 0.00 54.58 53.08 1t70 n ASN 1889Cb 0.98 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 38.18 1t70 n ASN 1889CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1t70 s TYR 1890N -1.00 2.55 -0.25 -2.53 2.02 -1.26 -0.70 117.35 116.17 1t70 s TYR 1890Ca 0.00 -0.50 0.19 0.00 -0.37 0.00 0.00 57.07 56.39 1t70 s TYR 1890Cb 0.00 -4.49 1.04 0.00 -0.40 0.00 0.00 41.96 38.11 1t70 s TYR 1890CO 0.00 -1.85 1.58 0.00 -1.57 0.00 0.00 175.55 173.71 1t70 n ALA 1891N 8.42 1.01 -2.53 3.71 0.00 -1.26 -4.75 120.51 125.11 1t70 n ALA 1891Ca 0.08 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1t70 n ALA 1891Cb 0.48 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1t70 n ALA 1891CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t70 s ASP 1892N -3.89 7.16 0.58 0.00 2.15 -1.26 -4.93 116.67 116.48 1t70 s ASP 1892Ca -0.02 1.84 0.33 0.00 0.43 0.00 0.00 52.55 55.13 1t70 s ASP 1892Cb 0.06 -2.57 1.82 0.00 -0.30 0.00 0.00 42.92 41.93 1t70 s ASP 1892CO 0.17 -0.44 2.21 -0.65 -0.17 0.00 0.00 175.17 176.29 1t70 h PRO 1893N 6.97 0.00 -0.00 4.34 0.11 -2.03 -2.40 132.00 138.98 1t70 h PRO 1893Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1t70 h PRO 1893Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1t70 h PRO 1893CO 0.81 0.04 -0.09 0.41 -0.21 0.00 0.00 178.00 178.96 1t70 n GLY 1894N -0.96 -0.82 3.69 -0.55 0.00 -1.26 -4.89 105.19 100.39 1t70 n GLY 1894Ca -0.02 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1t70 n GLY 1894CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t70 n THR 1895N -0.81 0.38 -0.95 2.61 -2.24 -0.91 -4.97 114.28 107.39 1t70 n THR 1895Ca 0.16 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.58 1t70 n THR 1895Cb 0.27 -2.06 0.19 0.00 -2.10 0.00 0.00 70.33 66.64 1t70 n THR 1895CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1t70 s PRO 1896N 2.81 0.19 2.05 -0.78 0.02 -1.26 -4.87 135.00 133.17 1t70 s PRO 1896Ca 0.83 0.74 0.00 0.00 0.02 0.00 0.00 61.00 62.59 1t70 s PRO 1896Cb -0.52 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1t70 s PRO 1896CO 0.39 -2.95 0.00 0.41 -0.33 0.00 0.00 177.00 174.52 1t70 n GLY 1897N -0.42 -0.76 3.19 0.52 0.00 -1.26 -4.94 105.19 101.52 1t70 n GLY 1897Ca 0.05 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1t70 n GLY 1897CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t70 s VAL 1898N 0.00 0.96 -1.75 1.61 -7.23 -1.26 -5.01 120.40 107.72 1t70 s VAL 1898Ca 0.00 -1.78 0.31 0.00 -1.81 0.00 0.00 61.98 58.70 1t70 s VAL 1898Cb 0.00 -1.52 0.74 0.00 0.56 0.00 0.00 36.38 36.16 1t70 s VAL 1898CO 0.00 -0.65 2.15 0.61 -0.31 0.00 0.00 175.10 176.90 1t70 n GLY 1899N 0.29 -1.12 3.65 2.32 0.00 -1.26 -1.98 105.19 107.10 1t70 n GLY 1899Ca -0.14 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1t70 n GLY 1899CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1t70 s TRP 1900N -2.25 -0.22 -0.21 1.61 1.48 -1.26 -2.07 118.94 116.03 1t70 s TRP 1900Ca 0.39 -0.02 -0.05 0.00 -1.06 0.00 0.00 56.10 55.37 1t70 s TRP 1900Cb 0.21 0.60 0.10 0.00 -1.16 0.00 0.00 33.47 33.22 1t70 s TRP 1900CO 0.41 -0.70 0.39 1.03 -4.06 0.00 0.00 176.95 174.02 1t70 s ARG 1901N -3.20 0.32 -0.19 3.25 0.52 -1.21 -5.00 118.95 113.45 1t70 s ARG 1901Ca 0.09 0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 55.91 1t70 s ARG 1901Cb -0.01 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 1t70 s ARG 1901CO -0.03 -0.40 0.73 0.95 0.02 0.00 0.00 175.30 176.58 1t70 s THR 1902N 2.58 4.95 0.40 0.02 -4.23 -1.26 -2.37 115.64 115.73 1t70 s THR 1902Ca 0.04 1.41 0.08 0.00 -1.18 0.00 0.00 61.69 62.03 1t70 s THR 1902Cb -0.13 -4.04 -0.01 0.00 1.34 0.00 0.00 72.50 69.65 1t70 s THR 1902CO -0.14 0.06 0.42 -0.36 -0.54 0.00 0.00 174.62 174.07 1t70 s PHE 1903N 2.07 2.78 -0.70 3.99 0.08 0.35 -4.87 117.98 121.66 1t70 s PHE 1903Ca 0.33 -0.43 -0.04 0.00 0.12 0.00 0.00 56.93 56.91 1t70 s PHE 1903Cb -0.16 -2.18 0.18 0.00 -0.57 0.00 0.00 43.02 40.29 1t70 s PHE 1903CO 0.11 -0.16 0.55 -0.51 -0.10 0.00 0.00 175.22 175.10 1t70 s ASP 1904N -4.18 5.54 0.00 1.36 -0.00 -1.26 -1.24 116.67 116.89 1t70 s ASP 1904Ca 0.49 -3.04 0.00 0.00 -0.00 0.00 0.00 52.55 50.01 1t70 s ASP 1904Cb -0.06 -1.90 0.00 0.00 -0.00 0.00 0.00 42.92 40.96 1t70 s ASP 1904CO 0.29 -0.35 0.74 0.52 -0.00 0.00 0.00 175.17 176.37 1t70 n VAL 1905N 3.27 0.00 -2.94 -1.27 0.31 -0.97 -4.78 118.33 111.95 1t70 n VAL 1905Ca 0.11 1.22 -0.05 0.00 -0.01 0.00 0.00 64.34 65.61 1t70 n VAL 1905Cb 0.38 -2.17 -0.01 0.00 -0.91 0.00 0.00 33.84 31.13 1t70 n VAL 1905CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1t70 s ASN 1906N -2.06 -1.18 0.00 4.52 0.01 -1.26 -4.89 114.94 110.08 1t70 s ASN 1906Ca 0.00 -1.57 0.00 0.00 -0.71 0.00 0.00 52.86 50.58 1t70 s ASN 1906Cb 0.00 1.71 0.00 0.00 0.41 0.00 0.00 41.25 43.37 1t70 s ASN 1906CO 0.00 -0.10 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1t70 n GLY 1907N 3.37 2.08 3.49 0.66 0.00 -1.26 -4.97 105.19 108.56 1t70 n GLY 1907Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1t70 n GLY 1907CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t70 s GLU 1908N -0.04 1.75 -0.27 1.61 2.02 -1.26 -5.12 118.70 117.38 1t70 s GLU 1908Ca 0.00 -1.74 -0.12 0.00 0.02 0.00 0.00 54.97 53.13 1t70 s GLU 1908Cb 0.00 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 1t70 s GLU 1908CO 0.00 0.33 0.26 0.15 0.02 0.00 0.00 175.26 176.01 1t70 s LYS 1909N -3.53 3.99 -0.33 1.61 1.02 -1.26 -2.30 119.74 118.95 1t70 s LYS 1909Ca 0.30 -0.17 -0.02 0.00 0.02 0.00 0.00 55.97 56.10 1t70 s LYS 1909Cb -0.05 -3.64 0.06 0.00 -0.52 0.00 0.00 37.83 33.68 1t70 s LYS 1909CO 0.16 -0.18 0.06 -1.17 -0.92 0.00 0.00 175.35 173.29 1t70 s LEU 1910N 1.77 4.27 -0.35 3.17 2.96 -0.37 -1.38 118.68 128.76 1t70 s LEU 1910Ca 0.10 -1.46 -0.11 0.00 -0.22 0.00 0.00 54.13 52.44 1t70 s LEU 1910Cb -0.16 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1t70 s LEU 1910CO 0.10 -0.33 0.20 -0.89 -1.32 0.00 0.00 176.35 174.11 1t70 s THR 1911N 1.23 4.79 -0.57 3.68 2.01 0.17 0.13 115.64 127.09 1t70 s THR 1911Ca -0.01 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 1t70 s THR 1911Cb -0.20 -3.54 0.11 0.00 0.01 0.00 0.00 72.50 68.87 1t70 s THR 1911CO -0.02 -0.08 0.63 -0.69 -0.69 0.00 0.00 174.62 173.77 1t70 s VAL 1912N 1.62 4.94 0.03 3.82 1.01 -1.00 -1.06 120.40 129.76 1t70 s VAL 1912Ca 0.04 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 1t70 s VAL 1912Cb -0.18 -4.43 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1t70 s VAL 1912CO 0.08 -1.02 0.42 0.54 0.00 0.00 0.00 175.10 175.11 1t70 s VAL 1913N 2.35 5.03 -0.10 2.92 0.11 -0.76 -3.31 120.40 126.63 1t70 s VAL 1913Ca 0.09 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 1t70 s VAL 1913Cb -0.26 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 30.87 1t70 s VAL 1913CO 0.06 0.49 -0.11 0.21 -3.33 0.00 0.00 175.10 172.42 1t70 s ASN 1914N -1.27 4.21 0.27 3.54 2.47 -0.88 -1.24 114.94 122.03 1t70 s ASN 1914Ca 0.27 -0.23 0.04 0.00 0.42 0.00 0.00 52.86 53.36 1t70 s ASN 1914Cb -0.16 -1.38 -0.06 0.00 -1.45 0.00 0.00 41.25 38.21 1t70 s ASN 1914CO 0.15 0.24 0.03 -0.76 -3.72 0.00 0.00 177.10 173.04 1t70 s LEU 1915N -0.08 2.13 -0.05 3.21 1.43 -1.12 -0.57 118.68 123.64 1t70 s LEU 1915Ca -0.01 -1.30 0.03 0.00 -1.03 0.00 0.00 54.13 51.82 1t70 s LEU 1915Cb -0.14 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.79 1t70 s LEU 1915CO 0.03 -0.56 -0.11 -0.76 0.23 0.00 0.00 176.35 175.18 1t70 s LEU 1916N -3.38 1.69 0.74 1.79 1.43 -1.26 -1.97 118.68 117.72 1t70 s LEU 1916Ca 0.33 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 53.09 1t70 s LEU 1916Cb 0.07 -0.72 0.07 0.00 0.03 0.00 0.00 46.19 45.64 1t70 s LEU 1916CO 0.12 0.05 1.07 -0.83 0.23 0.00 0.00 176.35 176.99 1t70 s GLY 1917N 0.45 1.66 -0.02 -3.19 0.00 -0.97 -4.58 107.32 100.67 1t70 s GLY 1917Ca -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 1t70 s GLY 1917CO 0.02 -0.42 -0.07 0.54 0.00 0.00 0.00 173.10 173.17 1t70 n ARG 1918N -3.04 0.11 -1.67 2.90 1.74 -1.26 -4.81 116.66 110.63 1t70 n ARG 1918Ca 0.08 0.05 -0.61 0.00 -0.77 0.00 0.00 57.85 56.60 1t70 n ARG 1918Cb 0.61 -0.69 -0.08 0.00 -1.02 0.00 0.00 32.46 31.28 1t70 n ARG 1918CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1t70 n VAL 1919N -3.37 0.10 -1.29 1.55 0.31 -1.26 0.16 118.33 114.52 1t70 n VAL 1919Ca -0.08 -0.02 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 1t70 n VAL 1919Cb 0.43 -0.68 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 1t70 n VAL 1919CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1t70 n PHE 1920N 3.77 0.00 -4.32 3.52 3.72 -1.26 -4.08 117.46 118.81 1t70 n PHE 1920Ca 0.26 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.47 1t70 n PHE 1920Cb 0.06 -1.96 -0.09 0.00 -0.94 0.00 0.00 39.48 36.55 1t70 n PHE 1920CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1t70 s MET 1921N -2.78 1.67 -0.10 -1.08 -1.94 0.42 -5.01 119.30 110.47 1t70 s MET 1921Ca 0.00 -1.97 -0.29 0.00 -1.71 0.00 0.00 55.69 51.72 1t70 s MET 1921Cb 0.00 0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.85 1t70 s MET 1921CO 0.00 -0.53 1.51 -2.00 -0.01 0.00 0.00 175.02 173.98 1t70 s GLU 1922N -3.68 4.19 0.14 2.03 2.12 -1.26 -4.92 118.70 117.31 1t70 s GLU 1922Ca 0.36 1.97 -0.31 0.00 0.36 0.00 0.00 54.97 57.35 1t70 s GLU 1922Cb 0.04 -3.91 -0.11 0.00 0.26 0.00 0.00 34.13 30.41 1t70 s GLU 1922CO 0.21 -0.81 1.79 0.00 -0.54 0.00 0.00 175.26 175.91 1t70 s ALA 1923N 3.88 3.80 0.00 6.30 0.00 -1.26 -4.86 121.76 129.62 1t70 s ALA 1923Ca 0.66 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1t70 s ALA 1923Cb -0.29 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1t70 s ALA 1923CO 0.24 -1.14 0.00 1.33 0.00 0.00 0.00 175.76 176.19 1t70 n VAL 1924N 4.54 0.00 -2.81 0.00 0.24 -1.26 -5.11 118.33 113.92 1t70 n VAL 1924Ca 0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.06 1t70 n VAL 1924Cb 0.38 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.70 1t70 n VAL 1924CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1t70 s ASP 1925N 1.00 7.33 -0.40 -1.34 3.68 0.12 -4.92 116.67 122.14 1t70 s ASP 1925Ca 0.00 1.60 -0.36 0.00 2.13 0.00 0.00 52.55 55.91 1t70 s ASP 1925Cb 0.00 -2.53 -0.16 0.00 -1.45 0.00 0.00 42.92 38.78 1t70 s ASP 1925CO 0.00 -0.13 1.52 -3.20 0.13 0.00 0.00 175.17 173.50 1t70 n ASN 1926N 3.33 0.76 0.19 -0.34 2.85 -1.26 -4.69 115.26 116.10 1t70 n ASN 1926Ca 0.02 0.72 0.05 0.00 -0.11 0.00 0.00 54.58 55.26 1t70 n ASN 1926Cb 0.50 -0.71 0.37 0.00 1.24 0.00 0.00 39.78 41.18 1t70 n ASN 1926CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1t70 h PRO 1927N 5.81 0.00 0.03 1.20 0.13 -1.91 -2.68 132.00 134.58 1t70 h PRO 1927Ca -0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1t70 h PRO 1927Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1t70 h PRO 1927CO 0.83 0.38 -0.02 0.74 -0.23 0.00 0.00 178.00 179.71 1t70 h PHE 1928N 0.00 -0.04 -0.02 1.56 0.04 -1.94 -2.35 116.94 114.18 1t70 h PHE 1928Ca -0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1t70 h PHE 1928Cb 0.79 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 1t70 h PHE 1928CO 0.00 -0.03 0.06 0.00 -0.60 0.00 0.00 178.31 177.74 1t70 h ARG 1929N -0.06 0.00 -0.39 1.51 3.08 -1.98 0.78 114.38 117.33 1t70 h ARG 1929Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1t70 h ARG 1929Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1t70 h ARG 1929CO 0.01 0.00 -0.22 1.15 -1.07 0.00 0.00 179.97 179.83 1t70 h THR 1930N 0.00 1.27 -0.42 2.04 2.02 -1.44 -3.21 112.91 113.18 1t70 h THR 1930Ca 0.01 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.80 1t70 h THR 1930Cb 0.14 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1t70 h THR 1930CO -0.00 0.45 0.07 0.24 0.37 0.00 0.00 175.52 176.65 1t70 h MET 1931N 0.68 0.69 -0.45 6.66 2.86 -0.27 -2.98 114.93 122.12 1t70 h MET 1931Ca 0.09 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1t70 h MET 1931Cb 0.74 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.22 1t70 h MET 1931CO 0.06 0.73 -0.21 -0.44 1.06 0.00 0.00 176.91 178.11 1t70 h ASP 1932N 0.54 -0.72 0.01 1.22 3.45 -1.55 -1.37 116.42 118.01 1t70 h ASP 1932Ca 0.13 0.17 0.01 0.00 0.43 0.00 0.00 57.03 57.76 1t70 h ASP 1932Cb 0.37 0.39 -0.02 0.00 -0.56 0.00 0.00 39.33 39.52 1t70 h ASP 1932CO 0.01 -0.24 -0.18 0.00 -1.57 0.00 0.00 179.24 177.26 1t70 h ALA 1933N 1.19 -0.67 0.00 3.45 0.00 -1.59 -0.75 119.26 120.90 1t70 h ALA 1933Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1t70 h ALA 1933Cb 0.45 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1t70 h ALA 1933CO -0.53 -0.72 0.36 1.25 0.00 0.00 0.00 179.25 179.62 1t70 h LEU 1934N -0.23 0.00 -1.45 0.00 5.85 -1.33 0.67 115.31 118.82 1t70 h LEU 1934Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1t70 h LEU 1934Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1t70 h LEU 1934CO -0.11 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.17 1t70 n LEU 1935N -2.55 2.15 -1.29 2.25 4.77 -0.30 -4.08 117.00 117.95 1t70 n LEU 1935Ca -0.01 -0.97 0.10 0.00 -0.03 0.00 0.00 56.01 55.09 1t70 n LEU 1935Cb 0.40 -0.19 0.30 0.00 -2.33 0.00 0.00 43.42 41.60 1t70 n LEU 1935CO 0.10 0.49 0.76 -0.62 -1.33 0.00 0.00 177.39 176.78 1t70 n GLU 1936N 0.65 3.03 0.00 3.23 1.02 0.23 -4.92 120.64 123.87 1t70 n GLU 1936Ca 0.16 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 1t70 n GLU 1936Cb 0.38 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1t70 n GLU 1936CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1t70 n ARG 1937N 1.28 3.44 0.00 3.49 1.74 -1.26 -5.07 116.66 120.28 1t70 n ARG 1937Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1t70 n ARG 1937Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.11 1t70 n ARG 1937CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1t70 n ASP 1938N 0.00 0.00 -0.41 0.55 8.00 -1.26 -4.89 116.55 118.54 1t70 n ASP 1938Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1t70 n ASP 1938Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1t70 n ASP 1938CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1t70 n ASP 1939N -1.64 0.31 0.00 -2.24 3.85 -1.26 -4.24 116.55 111.33 1t70 n ASP 1939Ca 0.00 -0.75 0.00 0.00 -0.71 0.00 0.00 54.79 53.33 1t70 n ASP 1939Cb 0.00 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 1t70 n ASP 1939CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1t70 n LEU 1940N 0.17 1.65 0.00 -2.12 4.77 -1.26 -4.95 117.00 115.26 1t70 n LEU 1940Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1t70 n LEU 1940Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1t70 n LEU 1940CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1t70 n GLY 1941N 2.61 1.48 3.56 -0.72 0.00 -1.26 -4.37 105.19 106.49 1t70 n GLY 1941Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1t70 n GLY 1941CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t70 s THR 1942N 0.00 3.71 -0.23 2.61 2.01 -0.48 -4.88 115.64 118.38 1t70 s THR 1942Ca 0.00 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.39 1t70 s THR 1942Cb 0.00 -4.58 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 1t70 s THR 1942CO 0.00 -1.43 0.19 -0.69 -0.69 0.00 0.00 174.62 172.00 1t70 s VAL 1943N 6.32 5.34 -0.28 3.82 1.01 -1.26 -0.65 120.40 134.70 1t70 s VAL 1943Ca 0.47 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1t70 s VAL 1943Cb -0.10 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.81 1t70 s VAL 1943CO 0.20 0.34 -0.06 0.12 0.00 0.00 0.00 175.10 175.70 1t70 s PHE 1944N 1.04 3.28 -0.02 5.22 2.19 -0.23 -1.38 117.98 128.08 1t70 s PHE 1944Ca 0.09 -2.16 -0.20 0.00 0.33 0.00 0.00 56.93 55.00 1t70 s PHE 1944Cb -0.13 -2.02 -0.05 0.00 -1.31 0.00 0.00 43.02 39.50 1t70 s PHE 1944CO 0.05 -0.85 0.57 0.08 1.83 0.00 0.00 175.22 176.90 1t70 s VAL 1945N 1.16 4.96 -0.81 3.12 1.01 0.26 -1.82 120.40 128.27 1t70 s VAL 1945Ca -0.07 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.12 1t70 s VAL 1945Cb -0.20 -3.91 0.23 0.00 0.00 0.00 0.00 36.38 32.51 1t70 s VAL 1945CO -0.03 0.41 0.82 -0.67 0.00 0.00 0.00 175.10 175.62 1t70 n ASP 1946N 2.83 4.16 -4.66 3.32 4.64 -0.38 -2.04 116.55 124.41 1t70 n ASP 1946Ca -0.07 -3.29 -0.42 0.00 -1.38 0.00 0.00 54.79 49.63 1t70 n ASP 1946Cb 0.51 -0.91 -0.03 0.00 -1.04 0.00 0.00 41.12 39.65 1t70 n ASP 1946CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1t70 s PHE 1947N -1.94 1.83 -0.68 -0.67 5.36 -1.21 -2.78 117.98 117.89 1t70 s PHE 1947Ca 0.31 0.02 -0.02 0.00 -0.96 0.00 0.00 56.93 56.28 1t70 s PHE 1947Cb 0.02 -4.02 0.17 0.00 -0.34 0.00 0.00 43.02 38.85 1t70 s PHE 1947CO -0.07 -4.36 0.50 -1.58 -1.46 0.00 0.00 175.22 168.26 1t70 s HIS 1948N 3.99 3.48 0.00 10.12 5.65 -0.83 0.27 115.29 137.97 1t70 s HIS 1948Ca 0.78 -2.81 0.00 0.00 0.25 0.00 0.00 55.06 53.28 1t70 s HIS 1948Cb -0.37 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 27.85 1t70 s HIS 1948CO 0.33 -0.81 0.00 0.00 -0.65 0.00 0.00 174.74 173.61 1t70 n ALA 1949N 3.20 0.00 0.02 1.58 0.00 -0.75 -2.30 120.51 122.27 1t70 n ALA 1949Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1t70 n ALA 1949Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1t70 n ALA 1949CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1t70 n GLU 1950N 0.00 0.00 -2.21 0.00 4.07 -1.26 -4.36 120.64 116.88 1t70 n GLU 1950Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 1t70 n GLU 1950Cb 0.00 -0.42 -0.01 0.00 -0.06 0.00 0.00 31.44 30.95 1t70 n GLU 1950CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1t70 s ALA 1951N -2.00 3.12 0.01 4.31 0.00 -1.26 -4.96 121.76 120.97 1t70 s ALA 1951Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 1t70 s ALA 1951Cb 0.00 -3.41 -0.34 0.00 0.00 0.00 0.00 23.12 19.36 1t70 s ALA 1951CO 0.00 -0.66 0.97 1.79 0.00 0.00 0.00 175.76 177.86 1t70 h THR 1952N 2.21 1.35 -0.95 0.00 1.35 -1.98 -2.70 112.91 112.20 1t70 h THR 1952Ca -0.49 -2.64 0.08 0.00 -0.55 0.00 0.00 66.41 62.81 1t70 h THR 1952Cb 1.24 3.09 -0.07 0.00 -1.73 0.00 0.00 68.15 70.68 1t70 h THR 1952CO 0.62 0.78 0.61 0.77 -0.25 0.00 0.00 175.52 178.05 1t70 h SER 1953N -0.01 0.92 -0.18 5.36 4.64 -1.99 0.11 113.55 122.41 1t70 h SER 1953Ca -0.22 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 1t70 h SER 1953Cb 2.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1t70 h SER 1953CO 0.24 0.56 -0.43 -0.08 -0.87 0.00 0.00 176.83 176.25 1t70 h GLU 1954N 1.03 0.60 -0.58 4.77 4.81 -1.97 -2.10 114.58 121.15 1t70 h GLU 1954Ca 0.43 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1t70 h GLU 1954Cb 0.30 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1t70 h GLU 1954CO -0.19 1.03 0.07 0.87 -0.73 0.00 0.00 179.01 180.06 1t70 h LYS 1955N 0.27 0.94 -0.07 1.92 1.57 -1.03 -2.14 116.57 118.02 1t70 h LYS 1955Ca -0.00 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.37 1t70 h LYS 1955Cb 1.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1t70 h LYS 1955CO 0.09 0.89 -0.65 0.93 -0.57 0.00 0.00 179.45 180.14 1t70 h GLU 1956N 0.89 0.29 -0.53 3.15 5.08 -0.82 -2.95 114.58 119.70 1t70 h GLU 1956Ca 0.18 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1t70 h GLU 1956Cb 0.43 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1t70 h GLU 1956CO 0.01 0.84 -0.06 0.00 -1.00 0.00 0.00 179.01 178.80 1t70 h ALA 1957N 1.10 0.88 0.84 3.43 0.00 -1.18 -2.51 119.26 121.82 1t70 h ALA 1957Ca -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1t70 h ALA 1957Cb 1.19 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1t70 h ALA 1957CO 0.10 0.65 -0.40 1.98 0.00 0.00 0.00 179.25 181.58 1t70 h MET 1958N 0.86 -1.08 -0.64 0.00 1.85 -1.28 -1.66 114.93 112.98 1t70 h MET 1958Ca 0.15 0.07 0.12 0.00 -0.61 0.00 0.00 59.70 59.43 1t70 h MET 1958Cb 0.60 0.25 -0.12 0.00 0.43 0.00 0.00 31.60 32.75 1t70 h MET 1958CO 0.04 -0.72 -0.23 0.78 -0.40 0.00 0.00 176.91 176.38 1t70 h GLY 1959N -1.13 0.27 2.00 1.39 0.00 -1.49 1.16 103.07 105.27 1t70 h GLY 1959Ca -0.11 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1t70 h GLY 1959CO 0.19 -0.24 0.00 0.79 0.00 0.00 0.00 176.54 177.28 1t70 n TRP 1960N -5.45 0.09 -0.08 5.60 7.02 -0.95 -0.40 117.44 123.27 1t70 n TRP 1960Ca 0.07 0.04 -0.13 0.00 -1.02 0.00 0.00 57.50 56.46 1t70 n TRP 1960Cb 0.35 -0.57 -0.14 0.00 -2.42 0.00 0.00 31.31 28.53 1t70 n TRP 1960CO 0.00 0.00 0.00 1.58 -2.02 0.00 0.00 177.69 177.25 1t70 n HIS 1961N -1.59 0.31 0.45 -5.99 -0.00 0.36 -4.19 115.22 104.57 1t70 n HIS 1961Ca 0.02 0.09 0.11 0.00 0.46 0.00 0.00 57.72 58.40 1t70 n HIS 1961Cb 0.10 -1.05 0.25 0.00 -0.12 0.00 0.00 29.99 29.17 1t70 n HIS 1961CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1t70 n LEU 1962N -3.01 3.13 -4.58 0.27 4.32 0.92 -4.88 117.00 113.17 1t70 n LEU 1962Ca -0.33 -1.36 -0.41 0.00 -0.02 0.00 0.00 56.01 53.88 1t70 n LEU 1962Cb 1.09 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 42.62 1t70 n LEU 1962CO 0.39 0.68 1.37 0.00 -1.22 0.00 0.00 177.39 178.61 1t70 s ALA 1963N -1.52 2.72 0.00 -1.18 0.00 0.46 -2.08 121.76 120.16 1t70 s ALA 1963Ca 0.38 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1t70 s ALA 1963Cb 0.22 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1t70 s ALA 1963CO 0.30 -3.02 0.00 0.41 0.00 0.00 0.00 175.76 173.46 1t70 n GLY 1964N 5.36 1.95 0.00 0.00 0.00 -1.26 -4.91 105.19 106.33 1t70 n GLY 1964Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1t70 n GLY 1964CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t70 n ARG 1965N -0.04 0.30 -3.90 1.61 1.74 -0.91 -5.02 116.66 110.44 1t70 n ARG 1965Ca 0.00 -0.75 -0.10 0.00 -0.77 0.00 0.00 57.85 56.23 1t70 n ARG 1965Cb 0.00 -0.94 -0.09 0.00 -1.02 0.00 0.00 32.46 30.41 1t70 n ARG 1965CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1t70 s VAL 1966N -0.29 0.12 -0.07 1.55 1.01 -0.88 -4.86 120.40 116.97 1t70 s VAL 1966Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 1t70 s VAL 1966Cb 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 36.38 35.44 1t70 s VAL 1966CO 0.00 -0.55 0.54 0.00 0.00 0.00 0.00 175.10 175.09 1t70 h ALA 1967N 3.70 -0.20 -3.18 5.51 0.00 -1.31 -3.35 119.26 120.43 1t70 h ALA 1967Ca -0.32 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.13 1t70 h ALA 1967Cb 1.19 0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.84 1t70 h ALA 1967CO 0.48 -0.22 -0.74 0.00 0.00 0.00 0.00 179.25 178.78 1t70 s ALA 1968N -3.20 0.62 -0.37 0.00 0.00 -1.17 0.10 121.76 117.74 1t70 s ALA 1968Ca -0.09 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1t70 s ALA 1968Cb -0.00 0.03 0.15 0.00 0.00 0.00 0.00 23.12 23.30 1t70 s ALA 1968CO 0.30 -0.01 0.26 0.08 0.00 0.00 0.00 175.76 176.40 1t70 s VAL 1969N -1.38 0.16 -0.30 0.00 1.01 0.82 -0.58 120.40 120.12 1t70 s VAL 1969Ca -0.09 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 59.84 1t70 s VAL 1969Cb -0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1t70 s VAL 1969CO 0.01 -1.04 0.14 -0.63 0.00 0.00 0.00 175.10 173.57 1t70 s ILE 1970N 0.77 4.47 0.64 2.22 1.09 -0.87 -3.06 121.20 126.47 1t70 s ILE 1970Ca 0.23 -0.46 -0.15 0.00 -1.10 0.00 0.00 60.65 59.17 1t70 s ILE 1970Cb -0.14 -3.28 -0.01 0.00 -1.06 0.00 0.00 42.46 37.97 1t70 s ILE 1970CO -0.06 0.08 1.08 -0.83 -0.10 0.00 0.00 174.94 175.12 1t70 s GLY 1971N 1.59 2.10 0.31 6.18 0.00 -0.40 -3.33 107.32 113.78 1t70 s GLY 1971Ca 0.04 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.24 1t70 s GLY 1971CO 0.05 0.78 0.31 -0.51 0.00 0.00 0.00 173.10 173.73 1t70 s THR 1972N -2.45 0.00 0.00 0.90 -4.23 0.14 -1.25 115.64 108.75 1t70 s THR 1972Ca 0.65 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1t70 s THR 1972Cb -0.18 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1t70 s THR 1972CO 0.41 0.00 0.00 1.57 -0.54 0.00 0.00 174.62 176.06 1t70 n HIS 1973N -0.55 0.00 1.03 3.99 -0.00 -1.26 -1.81 115.22 116.62 1t70 n HIS 1973Ca 0.05 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.88 1t70 n HIS 1973Cb 0.63 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.64 1t70 n HIS 1973CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1t70 n THR 1974N -0.08 0.00 -0.88 3.57 -2.24 -1.26 -4.94 114.28 108.45 1t70 n THR 1974Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1t70 n THR 1974Cb 0.00 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1t70 n THR 1974CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t70 n HIS 1975N -0.47 0.00 -3.97 4.78 -0.00 -1.26 -4.97 115.22 109.32 1t70 n HIS 1975Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.51 1t70 n HIS 1975Cb 0.42 -1.26 -0.17 0.00 -0.00 0.00 0.00 29.99 28.99 1t70 n HIS 1975CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1t70 s VAL 1976N -1.53 1.37 0.13 1.59 1.01 -1.26 -2.42 120.40 119.29 1t70 s VAL 1976Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 1t70 s VAL 1976Cb 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.95 1t70 s VAL 1976CO 0.00 0.41 1.82 -2.16 0.00 0.00 0.00 175.10 175.17 1t70 s PRO 1977N 1.57 4.14 0.12 2.72 0.04 -1.26 -4.45 135.00 137.88 1t70 s PRO 1977Ca 0.05 2.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.58 1t70 s PRO 1977Cb -0.13 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.79 1t70 s PRO 1977CO -0.10 -0.83 0.44 0.95 0.04 0.00 0.00 177.00 177.50 1t70 s THR 1978N 2.65 5.04 -0.40 1.26 -4.23 -0.82 -4.96 115.64 114.17 1t70 s THR 1978Ca 0.80 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 61.78 1t70 s THR 1978Cb -0.46 -3.65 0.41 0.00 1.34 0.00 0.00 72.50 70.14 1t70 s THR 1978CO 0.36 0.19 1.84 0.00 -0.54 0.00 0.00 174.62 176.47 1t70 n ALA 1979N 0.62 5.20 -0.61 3.99 0.00 -1.26 -4.36 120.51 124.09 1t70 n ALA 1979Ca -0.05 -2.30 0.09 0.00 0.00 0.00 0.00 53.44 51.17 1t70 n ALA 1979Cb 0.52 -1.44 0.30 0.00 0.00 0.00 0.00 19.45 18.84 1t70 n ALA 1979CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1t70 n ASP 1980N -0.49 4.29 -3.80 0.00 3.85 -1.26 -5.02 116.55 114.12 1t70 n ASP 1980Ca 0.45 -2.47 -0.48 0.00 -0.71 0.00 0.00 54.79 51.58 1t70 n ASP 1980Cb 1.01 -0.51 -0.06 0.00 -1.35 0.00 0.00 41.12 40.21 1t70 n ASP 1980CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1t70 n THR 1981N 0.73 0.40 -3.84 2.12 -1.04 -1.26 -4.78 114.28 106.61 1t70 n THR 1981Ca 0.22 -0.10 -0.03 0.00 -2.04 0.00 0.00 64.05 62.10 1t70 n THR 1981Cb 0.81 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.33 1t70 n THR 1981CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1t70 s ARG 1982N -0.20 1.25 -0.30 -2.82 3.00 -0.48 -5.00 118.95 114.40 1t70 s ARG 1982Ca 0.72 -0.77 0.01 0.00 -1.00 0.00 0.00 55.73 54.68 1t70 s ARG 1982Cb -1.01 0.37 0.09 0.00 0.00 0.00 0.00 34.95 34.40 1t70 s ARG 1982CO 0.48 -0.58 0.06 0.42 0.00 0.00 0.00 175.30 175.68 1t70 s ILE 1983N -2.48 1.31 0.56 4.11 1.01 -1.26 -0.38 121.20 124.07 1t70 s ILE 1983Ca 0.19 -1.56 -0.21 0.00 0.00 0.00 0.00 60.65 59.07 1t70 s ILE 1983Cb -0.02 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1t70 s ILE 1983CO 0.04 -0.54 1.22 0.18 0.00 0.00 0.00 174.94 175.84 1t70 n LEU 1984N 4.68 4.85 -4.68 2.97 4.77 0.24 -4.78 117.00 125.05 1t70 n LEU 1984Ca -0.03 0.92 -0.48 0.00 -0.03 0.00 0.00 56.01 56.39 1t70 n LEU 1984Cb 0.43 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.96 1t70 n LEU 1984CO 0.15 -1.05 1.45 1.17 -1.33 0.00 0.00 177.39 177.78 1t70 n LYS 1985N -1.02 2.16 0.00 3.23 4.81 -1.26 -1.58 118.16 124.51 1t70 n LYS 1985Ca 0.12 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 1t70 n LYS 1985Cb 0.45 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1t70 n LYS 1985CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1t70 n GLY 1986N 4.25 1.09 1.19 3.14 0.00 -1.26 -4.52 105.19 109.08 1t70 n GLY 1986Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1t70 n GLY 1986CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t70 n GLY 1987N 0.00 0.89 3.34 -0.02 0.00 -0.61 -4.32 105.19 104.46 1t70 n GLY 1987Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1t70 n GLY 1987CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t70 s THR 1988N -2.00 4.51 0.26 2.61 2.01 -1.13 -1.10 115.64 120.82 1t70 s THR 1988Ca 0.00 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.62 1t70 s THR 1988Cb 0.00 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1t70 s THR 1988CO 0.00 -0.37 1.44 0.00 -0.69 0.00 0.00 174.62 175.00 1t70 s ALA 1989N 1.52 3.62 -0.00 7.40 0.00 0.28 -0.59 121.76 133.99 1t70 s ALA 1989Ca 0.02 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 1t70 s ALA 1989Cb -0.21 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 1t70 s ALA 1989CO 0.05 -0.76 0.02 -0.47 0.00 0.00 0.00 175.76 174.60 1t70 s TYR 1990N -0.16 0.06 -0.30 0.00 6.14 0.49 -0.13 117.35 123.45 1t70 s TYR 1990Ca 0.58 -0.12 -0.03 0.00 0.64 0.00 0.00 57.07 58.14 1t70 s TYR 1990Cb -0.42 -0.05 0.19 0.00 0.42 0.00 0.00 41.96 42.09 1t70 s TYR 1990CO 0.45 -0.08 0.69 -1.14 0.64 0.00 0.00 175.55 176.11 1t70 s GLN 1991N -0.50 0.49 0.53 4.97 0.74 -1.17 -1.38 119.66 123.33 1t70 s GLN 1991Ca -0.06 0.86 0.47 0.00 0.05 0.00 0.00 55.36 56.69 1t70 s GLN 1991Cb -0.04 0.48 1.67 0.00 1.10 0.00 0.00 33.01 36.22 1t70 s GLN 1991CO -0.00 -0.55 1.52 0.25 -0.55 0.00 0.00 175.29 175.96 1t70 n THR 1992N 5.44 -0.03 -3.34 -0.34 -2.24 -1.26 -1.27 114.28 111.24 1t70 n THR 1992Ca -0.02 1.49 0.02 0.00 -2.27 0.00 0.00 64.05 63.28 1t70 n THR 1992Cb 0.52 -2.48 -0.03 0.00 -2.10 0.00 0.00 70.33 66.23 1t70 n THR 1992CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t70 s ASP 1993N -3.92 -0.73 0.41 3.42 2.15 -1.24 -3.78 116.67 112.98 1t70 s ASP 1993Ca -0.05 0.78 0.08 0.00 0.43 0.00 0.00 52.55 53.79 1t70 s ASP 1993Cb 0.27 1.74 0.86 0.00 -0.30 0.00 0.00 42.92 45.48 1t70 s ASP 1993CO 0.86 -0.14 2.04 0.00 -0.17 0.00 0.00 175.17 177.76 1t70 h ALA 1994N 7.74 1.68 0.00 3.66 0.00 -1.36 -2.19 119.26 128.79 1t70 h ALA 1994Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1t70 h ALA 1994Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1t70 h ALA 1994CO 0.07 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1t70 n GLY 1995N -1.37 1.11 3.35 0.00 0.00 -1.26 -4.12 105.19 102.90 1t70 n GLY 1995Ca 0.02 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 1t70 n GLY 1995CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t70 n PHE 1996N 0.99 -1.96 -2.78 1.61 -0.00 -1.01 -3.73 117.46 110.58 1t70 n PHE 1996Ca 0.00 -0.26 -0.08 0.00 -0.00 0.00 0.00 57.45 57.11 1t70 n PHE 1996Cb 0.00 -1.57 0.04 0.00 -0.00 0.00 0.00 39.48 37.94 1t70 n PHE 1996CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1t70 n THR 1997N -5.08 -0.04 -0.56 -2.13 -1.04 -0.82 -1.72 114.28 102.89 1t70 n THR 1997Ca 0.04 -1.52 0.00 0.00 -2.04 0.00 0.00 64.05 60.53 1t70 n THR 1997Cb 0.56 1.24 0.00 0.00 -1.82 0.00 0.00 70.33 70.31 1t70 n THR 1997CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t70 n GLY 1998N 1.91 2.75 3.71 3.41 0.00 -0.42 -1.80 105.19 114.75 1t70 n GLY 1998Ca 0.11 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1t70 n GLY 1998CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1t70 s PRO 1999N 3.72 4.17 0.03 1.61 0.04 -1.26 0.95 135.00 144.25 1t70 s PRO 1999Ca 0.00 2.48 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 1t70 s PRO 1999Cb 0.00 -3.28 -0.18 0.00 0.04 0.00 0.00 34.50 31.08 1t70 s PRO 1999CO 0.00 -0.72 1.22 1.25 0.04 0.00 0.00 177.00 178.80 1t70 h HIS 2000N 7.38 0.57 -3.48 0.56 2.76 -1.48 -3.37 115.15 118.09 1t70 h HIS 2000Ca -0.43 -0.24 -0.79 0.00 -2.20 0.00 0.00 60.37 56.70 1t70 h HIS 2000Cb 1.21 -0.09 -0.27 0.00 1.55 0.00 0.00 27.41 29.80 1t70 h HIS 2000CO 0.69 0.99 0.50 -0.51 -1.30 0.00 0.00 177.93 178.30 1t70 s ASP 2001N -6.50 7.26 0.07 3.26 1.01 -1.26 -4.96 116.67 115.55 1t70 s ASP 2001Ca -0.14 -3.48 -0.00 0.00 0.71 0.00 0.00 52.55 49.64 1t70 s ASP 2001Cb 0.05 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1t70 s ASP 2001CO 0.80 -0.35 0.09 -1.54 0.21 0.00 0.00 175.17 174.38 1t70 n SER 2002N 3.03 -0.25 -3.96 0.27 3.41 -1.26 -4.75 113.62 110.11 1t70 n SER 2002Ca 0.24 -1.36 -0.31 0.00 -0.26 0.00 0.00 58.87 57.18 1t70 n SER 2002Cb 0.40 0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 64.67 1t70 n SER 2002CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1t70 s ILE 2003N -2.49 2.02 -0.16 -1.33 1.01 -0.34 -4.69 121.20 115.22 1t70 s ILE 2003Ca 0.06 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 58.47 1t70 s ILE 2003Cb -0.00 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1t70 s ILE 2003CO 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 174.94 174.35 1t70 n ILE 2004N 4.28 0.00 0.00 2.92 3.06 -1.26 -1.02 119.36 127.34 1t70 n ILE 2004Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 1t70 n ILE 2004Cb 0.41 -0.98 0.00 0.00 0.54 0.00 0.00 39.64 39.62 1t70 n ILE 2004CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1t70 n GLY 2005N 0.81 1.01 3.86 4.50 0.00 -1.26 -4.97 105.19 109.14 1t70 n GLY 2005Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1t70 n GLY 2005CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t70 s SER 2006N -1.33 6.47 0.58 1.61 0.01 -0.18 -2.23 113.70 118.63 1t70 s SER 2006Ca 0.00 1.38 -0.19 0.00 1.31 0.00 0.00 55.95 58.45 1t70 s SER 2006Cb 0.00 -2.43 -0.06 0.00 0.21 0.00 0.00 66.02 63.74 1t70 s SER 2006CO 0.00 -0.62 0.93 0.00 0.41 0.00 0.00 173.24 173.97 1t70 n ALA 2007N -1.87 0.08 0.03 1.44 0.00 -0.18 -1.20 120.51 118.79 1t70 n ALA 2007Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 1t70 n ALA 2007Cb 0.54 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.82 1t70 n ALA 2007CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t70 h ILE 2008N 0.58 1.19 -0.29 0.00 2.04 -1.91 -3.36 117.51 115.75 1t70 h ILE 2008Ca -0.48 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 64.61 1t70 h ILE 2008Cb 1.36 1.72 -0.07 0.00 -0.74 0.00 0.00 36.82 39.10 1t70 h ILE 2008CO 0.51 0.20 -0.52 -0.08 0.00 0.00 0.00 178.15 178.26 1t70 h GLU 2009N -0.43 -0.42 -0.05 2.37 4.81 -1.99 -2.42 114.58 116.44 1t70 h GLU 2009Ca -0.01 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1t70 h GLU 2009Cb 0.39 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1t70 h GLU 2009CO 0.01 -0.28 -0.07 0.78 -0.73 0.00 0.00 179.01 178.72 1t70 h GLY 2010N -0.44 -1.86 0.27 1.92 0.00 -1.83 -1.96 103.07 99.17 1t70 h GLY 2010Ca 0.05 0.83 0.19 0.00 0.00 0.00 0.00 47.33 48.40 1t70 h GLY 2010CO -0.51 -0.68 0.61 -2.55 0.00 0.00 0.00 176.54 173.41 1t70 h PRO 2011N -0.05 0.61 -0.13 4.80 0.11 -1.70 -1.76 132.00 133.88 1t70 h PRO 2011Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1t70 h PRO 2011Cb 0.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1t70 h PRO 2011CO -0.07 0.40 0.07 1.25 -0.21 0.00 0.00 178.00 179.44 1t70 h LEU 2012N 0.63 0.17 -1.58 2.35 6.46 -1.05 -1.95 115.31 120.33 1t70 h LEU 2012Ca 0.51 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1t70 h LEU 2012Cb 0.97 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1t70 h LEU 2012CO -0.27 0.22 0.30 1.56 -0.62 0.00 0.00 178.44 179.63 1t70 h GLN 2013N 0.11 0.55 -0.53 1.25 1.08 -0.57 0.19 115.11 117.18 1t70 h GLN 2013Ca 0.05 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1t70 h GLN 2013Cb 0.09 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 1t70 h GLN 2013CO -0.01 0.36 0.30 0.00 -0.95 0.00 0.00 178.83 178.54 1t70 h ARG 2014N 0.57 0.74 -0.21 1.46 3.08 -0.95 0.59 114.38 119.65 1t70 h ARG 2014Ca 0.17 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1t70 h ARG 2014Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1t70 h ARG 2014CO -0.04 0.56 -0.39 0.74 -1.07 0.00 0.00 179.97 179.77 1t70 h PHE 2015N 0.71 0.57 0.13 3.04 0.04 -0.45 0.51 116.94 121.49 1t70 h PHE 2015Ca 0.19 -0.16 -0.20 0.00 2.80 0.00 0.00 57.97 60.60 1t70 h PHE 2015Cb 0.02 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.06 1t70 h PHE 2015CO -0.02 0.80 -0.96 -0.07 -0.60 0.00 0.00 178.31 177.47 1t70 h LEU 2016N 0.40 0.42 0.00 1.54 3.38 -0.75 -3.38 115.31 116.92 1t70 h LEU 2016Ca 0.04 -0.92 -0.12 0.00 0.09 0.00 0.00 57.88 56.97 1t70 h LEU 2016Cb 0.86 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1t70 h LEU 2016CO 0.07 1.44 -1.47 0.35 0.09 0.00 0.00 178.44 178.92 1t70 n THR 2017N -4.09 0.92 -1.43 0.22 -2.24 0.17 -4.96 114.28 102.87 1t70 n THR 2017Ca -0.17 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.87 1t70 n THR 2017Cb 0.83 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1t70 n THR 2017CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t70 n GLU 2018N -2.75 -0.65 -5.07 -0.78 1.02 0.17 -5.01 120.64 107.57 1t70 n GLU 2018Ca -0.09 0.75 -0.29 0.00 -0.02 0.00 0.00 57.16 57.52 1t70 n GLU 2018Cb 0.76 -4.66 -0.15 0.00 -0.02 0.00 0.00 31.44 27.37 1t70 n GLU 2018CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1t70 s ARG 2019N -3.08 1.82 0.22 3.49 0.52 -1.25 -5.05 118.95 115.62 1t70 s ARG 2019Ca 0.00 -0.87 -0.32 0.00 -0.52 0.00 0.00 55.73 54.02 1t70 s ARG 2019Cb 0.00 -1.80 -0.14 0.00 0.52 0.00 0.00 34.95 33.53 1t70 s ARG 2019CO 0.00 0.49 1.44 -0.35 0.02 0.00 0.00 175.30 176.90 1t70 n PRO 2020N 2.36 2.05 -4.15 3.54 -0.04 -1.26 -4.37 135.00 133.12 1t70 n PRO 2020Ca -0.16 0.73 -0.17 0.00 -0.04 0.00 0.00 63.50 63.86 1t70 n PRO 2020Cb 0.52 -2.41 -0.12 0.00 -0.04 0.00 0.00 33.50 31.45 1t70 n PRO 2020CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1t70 s HIS 2021N 0.15 1.10 -0.31 0.54 3.76 -1.26 -5.02 115.29 114.24 1t70 s HIS 2021Ca 0.71 -0.47 -0.27 0.00 -0.15 0.00 0.00 55.06 54.88 1t70 s HIS 2021Cb -0.66 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 32.42 1t70 s HIS 2021CO 0.47 0.03 0.96 0.50 -0.85 0.00 0.00 174.74 175.85 1t70 s ARG 2022N -1.71 4.03 -0.13 1.40 3.52 -1.26 -4.90 118.95 119.90 1t70 s ARG 2022Ca -0.04 0.89 0.02 0.00 -0.13 0.00 0.00 55.73 56.48 1t70 s ARG 2022Cb -0.10 -3.73 0.01 0.00 -1.56 0.00 0.00 34.95 29.57 1t70 s ARG 2022CO 0.02 -0.81 -0.20 1.52 -0.81 0.00 0.00 175.30 175.02 1t70 s TYR 2023N 3.37 2.42 0.00 5.12 -0.00 -1.26 -4.64 117.35 122.35 1t70 s TYR 2023Ca 0.40 -1.18 0.00 0.00 -0.00 0.00 0.00 57.07 56.30 1t70 s TYR 2023Cb -0.13 -1.67 0.00 0.00 -0.00 0.00 0.00 41.96 40.16 1t70 s TYR 2023CO 0.14 -0.55 0.00 0.41 -0.00 0.00 0.00 175.55 175.55 1t70 n GLY 2024N 4.05 1.36 3.73 5.49 0.00 -1.26 -4.87 105.19 113.69 1t70 n GLY 2024Ca -0.20 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 1t70 n GLY 2024CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t70 s VAL 2025N 1.27 4.92 0.17 1.61 1.01 -1.26 -1.01 120.40 127.10 1t70 s VAL 2025Ca 0.00 1.51 -0.33 0.00 0.00 0.00 0.00 61.98 63.15 1t70 s VAL 2025Cb 0.00 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 1t70 s VAL 2025CO 0.00 0.31 1.36 0.00 0.00 0.00 0.00 175.10 176.77 1t70 n ALA 2026N 3.33 0.21 -2.85 5.51 0.00 -0.95 -4.48 120.51 121.28 1t70 n ALA 2026Ca -0.02 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.52 1t70 n ALA 2026Cb 0.51 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.72 1t70 n ALA 2026CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1t70 s GLU 2027N 0.09 3.36 0.00 0.00 4.04 -1.26 -4.75 118.70 120.17 1t70 s GLU 2027Ca 0.75 -0.23 0.00 0.00 0.04 0.00 0.00 54.97 55.53 1t70 s GLU 2027Cb -0.78 -3.10 0.00 0.00 0.02 0.00 0.00 34.13 30.27 1t70 s GLU 2027CO 0.47 0.74 0.00 0.41 -1.84 0.00 0.00 175.26 175.04 1t70 n GLY 2028N 1.72 -0.13 2.79 -3.83 0.00 -1.26 -4.96 105.19 99.52 1t70 n GLY 2028Ca -0.17 -2.23 -0.46 0.00 0.00 0.00 0.00 46.02 43.16 1t70 n GLY 2028CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1t70 n ARG 2029N 0.00 0.00 -3.96 1.61 0.63 -1.26 -4.78 116.66 108.90 1t70 n ARG 2029Ca 0.00 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.69 1t70 n ARG 2029Cb 0.00 -1.16 -0.05 0.00 0.45 0.00 0.00 32.46 31.70 1t70 n ARG 2029CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1t70 s ALA 2030N -0.08 3.88 0.02 5.13 0.00 -1.26 -1.37 121.76 128.08 1t70 s ALA 2030Ca 0.71 -1.84 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1t70 s ALA 2030Cb -0.99 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 1t70 s ALA 2030CO 0.45 -0.23 0.01 -1.83 0.00 0.00 0.00 175.76 174.17 1t70 s GLU 2031N -4.03 0.41 -0.07 0.00 -1.05 0.27 -2.49 118.70 111.74 1t70 s GLU 2031Ca 0.40 -0.66 0.02 0.00 -0.15 0.00 0.00 54.97 54.58 1t70 s GLU 2031Cb 0.01 0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.87 1t70 s GLU 2031CO 0.23 -0.08 -0.10 -1.17 0.95 0.00 0.00 175.26 175.09 1t70 s LEU 2032N -1.69 1.53 -0.05 1.83 0.20 0.75 -1.29 118.68 119.95 1t70 s LEU 2032Ca -0.12 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.46 1t70 s LEU 2032Cb -0.06 -0.77 0.01 0.00 -0.43 0.00 0.00 46.19 44.93 1t70 s LEU 2032CO -0.02 -0.00 -0.13 0.20 -0.29 0.00 0.00 176.35 176.11 1t70 s ASN 2033N 0.86 1.76 0.00 3.68 0.01 -0.70 -1.24 114.94 119.31 1t70 s ASN 2033Ca -0.11 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 1t70 s ASN 2033Cb -0.15 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.82 1t70 s ASN 2033CO 0.01 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.28 1t70 n GLY 2034N 3.57 3.11 2.69 0.66 0.00 -0.10 -0.88 105.19 114.25 1t70 n GLY 2034Ca -0.21 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 1t70 n GLY 2034CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t70 s VAL 2035N -2.49 -0.26 -0.07 1.61 1.01 0.11 -1.45 120.40 118.86 1t70 s VAL 2035Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1t70 s VAL 2035Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1t70 s VAL 2035CO 0.00 -0.38 1.32 0.00 0.00 0.00 0.00 175.10 176.03 1t70 s ALA 2036N 2.27 3.58 0.32 5.51 0.00 -0.43 -3.03 121.76 129.98 1t70 s ALA 2036Ca 0.07 0.68 0.10 0.00 0.00 0.00 0.00 51.96 52.82 1t70 s ALA 2036Cb -0.15 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1t70 s ALA 2036CO -0.22 -0.97 -0.13 -0.51 0.00 0.00 0.00 175.76 173.93 1t70 s LEU 2037N 2.77 2.69 -0.20 0.00 1.02 -0.68 -2.33 118.68 121.95 1t70 s LEU 2037Ca 0.59 -1.13 -0.02 0.00 0.02 0.00 0.00 54.13 53.59 1t70 s LEU 2037Cb -0.27 -1.04 0.06 0.00 0.02 0.00 0.00 46.19 44.96 1t70 s LEU 2037CO 0.22 -0.12 0.02 -2.28 0.02 0.00 0.00 176.35 174.21 1t70 s HIS 2038N -2.57 1.30 -0.02 0.29 2.46 -0.43 -2.44 115.29 113.87 1t70 s HIS 2038Ca 0.32 -1.02 -0.06 0.00 0.47 0.00 0.00 55.06 54.76 1t70 s HIS 2038Cb -0.00 -1.13 -0.04 0.00 -0.13 0.00 0.00 32.58 31.27 1t70 s HIS 2038CO 0.16 -0.64 0.23 -0.06 -2.47 0.00 0.00 174.74 171.96 1t70 s PHE 2039N 1.77 3.58 -0.25 3.88 0.08 0.30 -0.24 117.98 127.10 1t70 s PHE 2039Ca -0.02 0.53 -0.06 0.00 0.12 0.00 0.00 56.93 57.50 1t70 s PHE 2039Cb -0.17 -1.95 0.12 0.00 -0.57 0.00 0.00 43.02 40.45 1t70 s PHE 2039CO -0.08 0.64 0.50 -2.00 -0.10 0.00 0.00 175.22 174.19 1t70 s GLU 2040N -1.66 0.43 -1.10 0.44 2.12 0.75 -4.24 118.70 115.43 1t70 s GLU 2040Ca 0.25 1.05 -0.00 0.00 0.36 0.00 0.00 54.97 56.62 1t70 s GLU 2040Cb -0.13 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1t70 s GLU 2040CO 0.15 -0.37 0.06 0.41 -0.54 0.00 0.00 175.26 174.97 1t70 n GLY 2041N 5.41 -0.16 3.41 -1.50 0.00 -1.26 -2.28 105.19 108.81 1t70 n GLY 2041Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1t70 n GLY 2041CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t70 n GLY 2042N -1.05 2.96 3.97 -0.02 0.00 -1.26 -4.99 105.19 104.80 1t70 n GLY 2042Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1t70 n GLY 2042CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t70 s LYS 2043N -0.12 2.76 -0.08 1.61 1.02 -0.97 -3.72 119.74 120.25 1t70 s LYS 2043Ca 0.00 -0.71 -0.13 0.00 0.02 0.00 0.00 55.97 55.14 1t70 s LYS 2043Cb 0.00 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 1t70 s LYS 2043CO 0.00 -0.50 0.32 0.00 -0.92 0.00 0.00 175.35 174.25 1t70 s ALA 2044N -2.64 3.69 -0.17 5.17 0.00 -0.25 -0.18 121.76 127.37 1t70 s ALA 2044Ca 0.54 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1t70 s ALA 2044Cb -0.10 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 1t70 s ALA 2044CO 0.38 0.36 -0.16 0.25 0.00 0.00 0.00 175.76 176.58 1t70 n THR 2045N 2.51 0.96 -3.86 0.00 -2.24 0.67 -4.78 114.28 107.55 1t70 n THR 2045Ca -0.14 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1t70 n THR 2045Cb 0.53 -1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 1t70 n THR 2045CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t70 s ALA 2046N -2.33 -0.13 -0.06 6.98 0.00 -1.23 -5.01 121.76 119.97 1t70 s ALA 2046Ca -0.23 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1t70 s ALA 2046Cb 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.14 1t70 s ALA 2046CO 0.37 -0.03 0.14 0.00 0.00 0.00 0.00 175.76 176.23 1t70 s ALA 2047N -0.05 -0.26 -0.20 0.00 0.00 -1.26 -1.32 121.76 118.68 1t70 s ALA 2047Ca -0.01 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 1t70 s ALA 2047Cb -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1t70 s ALA 2047CO 0.00 -0.13 0.62 -1.83 0.00 0.00 0.00 175.76 174.42 1t70 s GLU 2048N 0.95 0.78 0.88 0.00 -1.05 -0.98 -4.78 118.70 114.49 1t70 s GLU 2048Ca -0.07 0.73 -0.10 0.00 -0.15 0.00 0.00 54.97 55.37 1t70 s GLU 2048Cb -0.09 0.38 0.12 0.00 -0.44 0.00 0.00 34.13 34.09 1t70 s GLU 2048CO -0.05 -0.13 1.12 1.03 0.95 0.00 0.00 175.26 178.19 1t70 s ARG 2049N 0.03 1.34 -0.02 -4.83 0.52 -1.26 -1.31 118.95 113.41 1t70 s ARG 2049Ca -0.02 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 1t70 s ARG 2049Cb -0.04 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 33.68 1t70 s ARG 2049CO 0.02 -2.34 0.01 -0.47 0.02 0.00 0.00 175.30 172.54 1t70 s TYR 2050N -2.74 0.17 -0.05 -0.53 6.14 -0.53 -4.67 117.35 115.14 1t70 s TYR 2050Ca 0.65 0.06 -0.02 0.00 0.64 0.00 0.00 57.07 58.39 1t70 s TYR 2050Cb -0.21 -0.30 0.03 0.00 0.42 0.00 0.00 41.96 41.90 1t70 s TYR 2050CO 0.58 -0.10 0.12 0.50 0.64 0.00 0.00 175.55 177.29 1t70 s ARG 2051N 0.95 0.07 -0.01 4.97 3.52 -1.26 -0.92 118.95 126.27 1t70 s ARG 2051Ca -0.09 0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.87 1t70 s ARG 2051Cb -0.12 -0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.09 1t70 s ARG 2051CO -0.02 -0.15 -0.16 0.12 -0.81 0.00 0.00 175.30 174.29 1t70 s PHE 2052N 1.02 1.39 -0.31 5.12 2.19 -0.37 -4.99 117.98 122.03 1t70 s PHE 2052Ca -0.08 -0.26 0.01 0.00 0.33 0.00 0.00 56.93 56.93 1t70 s PHE 2052Cb -0.10 -0.90 0.09 0.00 -1.31 0.00 0.00 43.02 40.80 1t70 s PHE 2052CO -0.05 -0.02 0.06 0.42 1.83 0.00 0.00 175.22 177.46 1t70 s ILE 2053N -0.37 1.50 0.58 3.12 -1.09 -1.26 -0.18 121.20 123.50 1t70 s ILE 2053Ca 0.06 -1.73 -0.18 0.00 -2.23 0.00 0.00 60.65 56.57 1t70 s ILE 2053Cb -0.06 -2.07 -0.09 0.00 -1.58 0.00 0.00 42.46 38.66 1t70 s ILE 2053CO -0.01 -0.57 0.50 -1.84 -1.23 0.00 0.00 174.94 171.80 1t70 n GLU 2054N 4.60 0.48 0.00 2.79 0.28 -1.04 -5.02 120.64 122.73 1t70 n GLU 2054Ca -0.01 0.19 0.05 0.00 -0.16 0.00 0.00 57.16 57.23 1t70 n GLU 2054Cb 0.42 -1.69 0.31 0.00 1.43 0.00 0.00 31.44 31.92 1t70 n GLU 2054CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72