#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lql n HIS 1800N 0.00 -2.57 -3.08 1.61 -0.00 -1.26 -4.91 115.22 105.01 1lql n HIS 1800Ca 0.00 1.52 -0.45 0.00 -0.00 0.00 0.00 57.72 58.80 1lql n HIS 1800Cb 0.00 -2.97 -0.03 0.00 -0.00 0.00 0.00 29.99 26.99 1lql n HIS 1800CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1lql s MET 1801N -1.24 3.40 0.12 1.57 1.00 -1.26 -4.92 119.30 117.97 1lql s MET 1801Ca -0.01 -1.75 -0.20 0.00 0.00 0.00 0.00 55.69 53.73 1lql s MET 1801Cb 0.00 -4.55 -0.08 0.00 0.00 0.00 0.00 34.83 30.20 1lql s MET 1801CO 0.03 -1.58 1.76 -0.44 0.00 0.00 0.00 175.02 174.79 1lql h ASP 1802N 8.72 0.22 -3.40 3.03 3.32 -2.10 -3.43 116.42 122.78 1lql h ASP 1802Ca -0.02 -0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.42 1lql h ASP 1802Cb 1.05 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 1lql h ASP 1802CO 1.02 0.18 0.00 -0.54 -1.72 0.00 0.00 179.24 178.18 1lql s LYS 1803N -6.11 4.27 0.10 3.56 -0.14 -1.26 -5.07 119.74 115.09 1lql s LYS 1803Ca -0.13 0.55 0.08 0.00 -1.36 0.00 0.00 55.97 55.11 1lql s LYS 1803Cb 0.08 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 1lql s LYS 1803CO 0.69 -0.07 -0.14 0.15 -0.76 0.00 0.00 175.35 175.22 1lql s LYS 1804N 1.36 2.00 0.04 1.68 -0.14 -1.26 -5.13 119.74 118.28 1lql s LYS 1804Ca 0.28 -1.07 0.03 0.00 -1.36 0.00 0.00 55.97 53.85 1lql s LYS 1804Cb -0.16 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 33.75 1lql s LYS 1804CO 0.11 0.50 -0.09 0.71 -0.76 0.00 0.00 175.35 175.82 1lql s TYR 1805N -1.15 0.79 -0.20 3.18 2.02 -1.26 -5.13 117.35 115.60 1lql s TYR 1805Ca 0.19 -0.42 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 1lql s TYR 1805Cb -0.11 -0.47 0.10 0.00 -0.40 0.00 0.00 41.96 41.09 1lql s TYR 1805CO 0.11 -0.04 0.31 0.34 -1.57 0.00 0.00 175.55 174.71 1lql s ASP 1806N -1.34 0.55 0.25 2.29 -1.08 -1.26 -5.15 116.67 110.93 1lql s ASP 1806Ca -0.06 0.25 0.10 0.00 -0.52 0.00 0.00 52.55 52.33 1lql s ASP 1806Cb -0.09 0.84 -0.05 0.00 -1.46 0.00 0.00 42.92 42.16 1lql s ASP 1806CO 0.01 -0.29 -0.18 -0.63 0.52 0.00 0.00 175.17 174.60 1lql s ILE 1807N 2.46 2.18 -0.10 4.11 1.09 -1.26 -4.68 121.20 125.00 1lql s ILE 1807Ca 0.07 -2.32 -0.05 0.00 -1.10 0.00 0.00 60.65 57.25 1lql s ILE 1807Cb -0.14 -2.19 0.05 0.00 -1.06 0.00 0.00 42.46 39.11 1lql s ILE 1807CO -0.13 -0.47 0.24 0.42 -0.10 0.00 0.00 174.94 174.90 1lql s THR 1808N -2.68 -0.08 0.14 2.92 -4.23 -1.02 -4.98 115.64 105.71 1lql s THR 1808Ca 0.27 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 61.03 1lql s THR 1808Cb -0.03 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 1lql s THR 1808CO 0.12 0.07 -0.14 0.00 -0.54 0.00 0.00 174.62 174.13 1lql s ALA 1809N 1.40 2.81 -0.05 3.99 0.00 -1.26 0.13 121.76 128.77 1lql s ALA 1809Ca -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1lql s ALA 1809Cb -0.11 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1lql s ALA 1809CO -0.08 0.55 -0.04 0.08 0.00 0.00 0.00 175.76 176.27 1lql s VAL 1810N -1.37 0.53 -0.59 0.00 1.01 -0.13 -4.95 120.40 114.89 1lql s VAL 1810Ca 0.21 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1lql s VAL 1810Cb -0.10 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1lql s VAL 1810CO 0.12 0.24 0.94 -0.22 0.00 0.00 0.00 175.10 176.18 1lql s LEU 1811N 1.14 4.24 0.00 3.92 2.96 -1.26 -1.35 118.68 128.33 1lql s LEU 1811Ca -0.07 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.14 1lql s LEU 1811Cb -0.14 -2.64 0.09 0.00 0.50 0.00 0.00 46.19 44.00 1lql s LEU 1811CO -0.01 -1.30 0.49 0.59 -1.32 0.00 0.00 176.35 174.79 1lql n ASN 1812N 7.52 -0.05 -2.34 3.68 3.02 0.04 -5.01 115.26 122.13 1lql n ASN 1812Ca -0.01 -1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 53.35 1lql n ASN 1812Cb 0.47 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1lql n ASN 1812CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1lql n GLU 1813N -2.09 -0.42 -3.11 3.52 1.02 -1.26 -3.89 120.64 114.41 1lql n GLU 1813Ca 0.06 -0.26 -0.19 0.00 -0.02 0.00 0.00 57.16 56.75 1lql n GLU 1813Cb 0.21 -0.19 -0.01 0.00 -0.02 0.00 0.00 31.44 31.44 1lql n GLU 1813CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1lql n ASP 1814N -3.14 -3.41 -0.12 1.62 5.68 -1.26 -2.61 116.55 113.31 1lql n ASP 1814Ca 0.02 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1lql n ASP 1814Cb 0.08 -2.86 0.00 0.00 -1.14 0.00 0.00 41.12 37.20 1lql n ASP 1814CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1lql n SER 1815N -2.11 0.00 -4.85 -1.12 3.41 -1.25 -4.88 113.62 102.83 1lql n SER 1815Ca -0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.25 1lql n SER 1815Cb 0.55 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1lql n SER 1815CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1lql s SER 1816N -0.12 6.74 0.08 4.04 1.04 -1.07 -4.55 113.70 119.85 1lql s SER 1816Ca 0.00 1.38 0.10 0.00 0.48 0.00 0.00 55.95 57.91 1lql s SER 1816Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 1lql s SER 1816CO 0.00 -0.33 -0.26 -0.04 0.98 0.00 0.00 173.24 173.59 1lql s MET 1817N -3.36 1.55 -0.18 4.02 -1.94 0.91 -0.78 119.30 119.52 1lql s MET 1817Ca 0.56 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 1lql s MET 1817Cb -0.10 -1.84 0.04 0.00 2.01 0.00 0.00 34.83 34.94 1lql s MET 1817CO 0.21 0.46 -0.08 0.95 -0.01 0.00 0.00 175.02 176.56 1lql s THR 1818N -0.93 1.34 0.32 2.05 -4.23 -0.46 0.11 115.64 113.84 1lql s THR 1818Ca 0.12 -0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 59.83 1lql s THR 1818Cb -0.10 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 1lql s THR 1818CO 0.04 0.16 0.54 0.00 -0.54 0.00 0.00 174.62 174.81 1lql s ALA 1819N 1.53 3.68 -0.06 3.99 0.00 0.44 -0.96 121.76 130.39 1lql s ALA 1819Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1lql s ALA 1819Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.81 1lql s ALA 1819CO -0.08 0.11 -0.04 0.42 0.00 0.00 0.00 175.76 176.16 1lql s ILE 1820N -2.21 0.57 -0.21 0.00 1.01 0.34 -2.40 121.20 118.30 1lql s ILE 1820Ca 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 1lql s ILE 1820Cb -0.10 -0.62 0.06 0.00 0.01 0.00 0.00 42.46 41.81 1lql s ILE 1820CO 0.34 0.25 -0.04 -0.55 0.00 0.00 0.00 174.94 174.93 1lql s SER 1821N 1.16 3.45 0.97 3.58 0.15 -0.76 -2.45 113.70 119.81 1lql s SER 1821Ca -0.07 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1lql s SER 1821Cb -0.14 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1lql s SER 1821CO -0.01 -0.23 0.00 0.47 1.20 0.00 0.00 173.24 174.67 1lql n ASP 1822N 4.78 0.00 -1.59 5.45 8.00 -1.26 0.01 116.55 131.94 1lql n ASP 1822Ca -0.12 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.41 1lql n ASP 1822Cb 0.45 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.85 1lql n ASP 1822CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lql n GLN 1823N 14.00 3.76 -4.27 -1.24 6.02 -1.26 -4.93 117.38 129.46 1lql n GLN 1823Ca 0.00 -2.37 -0.25 0.00 -0.01 0.00 0.00 57.00 54.37 1lql n GLN 1823Cb 0.00 -2.06 -0.08 0.00 1.02 0.00 0.00 30.24 29.11 1lql n GLN 1823CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1lql s PHE 1824N -2.35 2.70 0.01 1.08 0.08 0.10 -5.14 117.98 114.46 1lql s PHE 1824Ca 0.41 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.25 1lql s PHE 1824Cb 0.32 -1.27 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1lql s PHE 1824CO 0.12 0.55 0.01 -0.65 -0.10 0.00 0.00 175.22 175.15 1lql s GLN 1825N -3.16 0.22 -0.01 0.44 -0.21 -1.26 -1.83 119.66 113.85 1lql s GLN 1825Ca 0.28 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.33 1lql s GLN 1825Cb -0.08 0.08 -0.00 0.00 1.00 0.00 0.00 33.01 34.01 1lql s GLN 1825CO 0.18 -0.04 -0.05 0.42 -2.12 0.00 0.00 175.29 173.67 1lql s ILE 1826N -0.89 0.43 -0.23 1.08 1.09 -1.01 -5.01 121.20 116.65 1lql s ILE 1826Ca -0.10 -0.23 -0.05 0.00 -1.10 0.00 0.00 60.65 59.17 1lql s ILE 1826Cb -0.06 -0.37 -0.02 0.00 -1.06 0.00 0.00 42.46 40.96 1lql s ILE 1826CO -0.00 0.12 0.01 0.42 -0.10 0.00 0.00 174.94 175.39 1lql s THR 1827N -0.10 3.81 -0.08 2.92 -4.23 -1.26 -0.42 115.64 116.28 1lql s THR 1827Ca 0.02 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1lql s THR 1827Cb -0.02 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1lql s THR 1827CO -0.00 0.38 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.57 1lql s LEU 1828N 1.54 2.79 0.09 4.79 1.02 0.31 -3.66 118.68 125.55 1lql s LEU 1828Ca 0.06 -0.22 0.08 0.00 0.02 0.00 0.00 54.13 54.08 1lql s LEU 1828Cb -0.15 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 1lql s LEU 1828CO -0.00 0.28 -0.22 -0.62 0.02 0.00 0.00 176.35 175.82 1lql s ASP 1829N -0.36 2.62 0.00 2.29 -1.08 0.28 -0.07 116.67 120.35 1lql s ASP 1829Ca 0.04 -0.64 0.14 0.00 -0.52 0.00 0.00 52.55 51.57 1lql s ASP 1829Cb -0.12 -0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.16 1lql s ASP 1829CO 0.02 0.11 0.79 0.00 0.52 0.00 0.00 175.17 176.61 1lql n ALA 1830N 1.32 3.04 -1.19 3.66 0.00 -1.26 -3.29 120.51 122.79 1lql n ALA 1830Ca -0.19 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.43 1lql n ALA 1830Cb 0.53 -0.50 0.10 0.00 0.00 0.00 0.00 19.45 19.59 1lql n ALA 1830CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1lql s ARG 1831N -1.70 2.06 0.92 0.00 0.52 -1.26 -5.00 118.95 114.50 1lql s ARG 1831Ca 0.12 1.38 -0.11 0.00 -0.52 0.00 0.00 55.73 56.60 1lql s ARG 1831Cb 0.11 -1.86 0.15 0.00 0.52 0.00 0.00 34.95 33.87 1lql s ARG 1831CO 0.35 -1.82 1.09 -2.14 0.02 0.00 0.00 175.30 172.80 1lql s PRO 1832N -4.54 1.01 0.20 3.54 0.02 -1.26 -4.44 135.00 129.53 1lql s PRO 1832Ca 0.65 1.00 -0.16 0.00 0.02 0.00 0.00 61.00 62.51 1lql s PRO 1832Cb -0.21 -1.77 0.19 0.00 0.02 0.00 0.00 34.50 32.74 1lql s PRO 1832CO 0.52 -2.46 1.34 1.63 -0.33 0.00 0.00 177.00 177.70 1lql n LYS 1833N -4.06 -0.21 -0.01 5.54 5.02 -1.26 -1.24 118.16 121.93 1lql n LYS 1833Ca 0.08 1.33 -0.10 0.00 -2.02 0.00 0.00 58.31 57.60 1lql n LYS 1833Cb 0.54 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1lql n LYS 1833CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lql h HIS 1834N 0.00 -0.74 -0.05 2.13 -0.00 -2.04 -3.14 115.15 111.32 1lql h HIS 1834Ca 0.29 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.64 1lql h HIS 1834Cb 0.51 0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 1lql h HIS 1834CO -0.77 -0.35 -0.18 1.15 -0.00 0.00 0.00 177.93 177.78 1lql h THR 1835N -0.32 1.45 0.00 2.45 2.02 -1.69 -3.49 112.91 113.33 1lql h THR 1835Ca 0.11 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1lql h THR 1835Cb 0.49 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1lql h THR 1835CO -0.35 0.45 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1lql n ALA 1836N -2.47 -1.97 -1.22 6.16 0.00 -0.38 -5.00 120.51 115.63 1lql n ALA 1836Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1lql n ALA 1836Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1lql n ALA 1836CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1lql n LYS 1837N 0.00 0.00 0.00 0.00 5.02 -1.26 -5.08 118.16 116.84 1lql n LYS 1837Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1lql n LYS 1837Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1lql n LYS 1837CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lql n GLY 1838N 0.00 -0.28 3.13 0.72 0.00 -1.26 -4.85 105.19 102.66 1lql n GLY 1838Ca 0.00 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 1lql n GLY 1838CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1lql n PHE 1839N -0.03 -3.49 -2.84 1.61 0.99 -1.24 -3.17 117.46 109.30 1lql n PHE 1839Ca 0.00 0.13 -0.25 0.00 -0.00 0.00 0.00 57.45 57.33 1lql n PHE 1839Cb 0.00 -1.53 0.01 0.00 -1.00 0.00 0.00 39.48 36.96 1lql n PHE 1839CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1lql s GLY 1840N -1.34 1.53 0.00 1.37 0.00 -1.21 0.98 107.32 108.66 1lql s GLY 1840Ca 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1lql s GLY 1840CO 0.76 -0.68 0.91 -1.05 0.00 0.00 0.00 173.10 173.04 1lql n PRO 1841N -2.19 0.00 -0.19 2.90 -0.02 -1.26 -1.72 135.00 132.53 1lql n PRO 1841Ca 0.01 0.68 0.29 0.00 -2.02 0.00 0.00 63.50 62.47 1lql n PRO 1841Cb 0.57 -1.41 0.73 0.00 -0.02 0.00 0.00 33.50 33.37 1lql n PRO 1841CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1lql h LEU 1842N 0.00 0.00 0.39 2.45 3.38 -1.96 0.28 115.31 119.85 1lql h LEU 1842Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1lql h LEU 1842Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1lql h LEU 1842CO 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.34 1lql h ALA 1843N 1.48 -0.52 -0.51 1.53 0.00 -1.79 0.33 119.26 119.78 1lql h ALA 1843Ca 0.44 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1lql h ALA 1843Cb 1.82 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1lql h ALA 1843CO -0.00 -0.78 0.34 0.00 0.00 0.00 0.00 179.25 178.81 1lql h ALA 1844N 0.07 1.85 -0.16 0.00 0.00 0.37 0.16 119.26 121.55 1lql h ALA 1844Ca -0.05 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1lql h ALA 1844Cb 0.41 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1lql h ALA 1844CO 0.09 0.07 -0.74 1.25 0.00 0.00 0.00 179.25 179.92 1lql h LEU 1845N 0.50 0.93 -1.06 0.00 6.46 -0.44 -1.26 115.31 120.44 1lql h LEU 1845Ca 0.22 -0.62 -0.10 0.00 -0.12 0.00 0.00 57.88 57.26 1lql h LEU 1845Cb 0.23 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1lql h LEU 1845CO -0.06 1.40 -0.46 -0.07 -0.62 0.00 0.00 178.44 178.64 1lql h LEU 1846N 0.52 0.00 -0.68 2.25 3.38 0.51 -1.40 115.31 119.90 1lql h LEU 1846Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1lql h LEU 1846Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 1lql h LEU 1846CO 0.15 0.46 -0.41 0.28 0.09 0.00 0.00 178.44 179.01 1lql h SER 1847N 0.00 0.58 0.15 -0.43 0.02 -0.57 -0.66 113.55 112.65 1lql h SER 1847Ca -0.00 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1lql h SER 1847Cb 0.84 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1lql h SER 1847CO 0.06 0.93 -0.07 1.23 -1.14 0.00 0.00 176.83 177.84 1lql h GLY 1848N 1.06 -0.21 -0.22 -3.77 0.00 -0.73 0.14 103.07 99.35 1lql h GLY 1848Ca 0.04 0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.60 1lql h GLY 1848CO 0.08 -0.08 -0.00 -2.00 0.00 0.00 0.00 176.54 174.54 1lql h LEU 1849N -0.42 -0.32 0.79 3.11 6.46 -1.10 -0.05 115.31 123.78 1lql h LEU 1849Ca -0.02 0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1lql h LEU 1849Cb 0.33 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1lql h LEU 1849CO 0.03 -0.15 -0.41 0.00 -0.62 0.00 0.00 178.44 177.29 1lql h ALA 1850N 1.64 -1.28 -0.89 1.25 0.00 -0.68 -0.91 119.26 118.40 1lql h ALA 1850Ca 0.37 -0.24 0.25 0.00 0.00 0.00 0.00 54.91 55.29 1lql h ALA 1850Cb 0.62 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1lql h ALA 1850CO -0.60 -1.21 0.22 0.00 0.00 0.00 0.00 179.25 177.66 1lql h ALA 1851N -1.41 1.29 -0.02 0.00 0.00 0.14 0.69 119.26 119.96 1lql h ALA 1851Ca -0.11 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1lql h ALA 1851Cb 0.85 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1lql h ALA 1851CO 0.15 -0.50 0.01 0.00 0.00 0.00 0.00 179.25 178.92 1lql h GLU 1853N -0.02 -0.20 0.09 0.00 4.39 0.17 -0.86 114.58 118.15 1lql h GLU 1853Ca 0.01 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1lql h GLU 1853Cb 0.04 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1lql h GLU 1853CO -0.00 -0.14 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.60 1lql h LEU 1854N -0.21 -0.11 -0.61 1.33 3.38 -0.79 -2.80 115.31 115.51 1lql h LEU 1854Ca 0.17 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1lql h LEU 1854Cb 0.49 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1lql h LEU 1854CO -0.48 0.05 0.01 0.00 0.09 0.00 0.00 178.44 178.11 1lql h ALA 1855N 0.63 0.61 0.00 1.53 0.00 0.06 0.20 119.26 122.29 1lql h ALA 1855Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1lql h ALA 1855Cb 0.22 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1lql h ALA 1855CO 0.02 -0.39 -0.20 1.79 0.00 0.00 0.00 179.25 180.47 1lql h THR 1856N 0.12 0.41 0.07 0.00 1.35 -1.19 -2.26 112.91 111.41 1lql h THR 1856Ca 0.32 -1.26 -0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1lql h THR 1856Cb 0.52 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1lql h THR 1856CO -0.52 0.20 -0.04 0.00 -0.25 0.00 0.00 175.52 174.91 1lql h ALA 1857N 1.80 -0.10 0.00 6.62 0.00 -1.01 0.27 119.26 126.84 1lql h ALA 1857Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1lql h ALA 1857Cb 0.93 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1lql h ALA 1857CO 0.03 -0.25 0.10 -0.97 0.00 0.00 0.00 179.25 178.16 1lql h ASN 1858N -0.72 0.00 0.05 0.00 -0.73 -0.90 0.25 115.58 113.53 1lql h ASN 1858Ca -0.01 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 57.78 1lql h ASN 1858Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.12 1lql h ASN 1858CO 0.02 0.00 -2.26 0.18 -0.37 0.00 0.00 177.43 175.00 1lql n LEU 1859N -2.74 2.73 0.03 0.34 4.77 -0.86 -4.21 117.00 117.06 1lql n LEU 1859Ca -0.02 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1lql n LEU 1859Cb 0.15 -0.98 0.53 0.00 -2.33 0.00 0.00 43.42 40.79 1lql n LEU 1859CO 0.15 0.85 0.91 0.23 -1.33 0.00 0.00 177.39 178.20 1lql n MET 1860N -3.47 0.06 0.11 3.23 2.81 0.92 -3.97 117.12 116.82 1lql n MET 1860Ca -0.41 0.10 -0.14 0.00 -1.81 0.00 0.00 57.70 55.43 1lql n MET 1860Cb 0.99 -1.58 -0.07 0.00 -0.71 0.00 0.00 33.22 31.84 1lql n MET 1860CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lql h ALA 1861N 2.80 -0.76 -0.53 3.04 0.00 -0.71 -2.40 119.26 120.71 1lql h ALA 1861Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1lql h ALA 1861Cb 0.51 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1lql h ALA 1861CO 0.00 -1.00 -0.51 -1.35 0.00 0.00 0.00 179.25 176.40 1lql h PRO 1862N -0.66 -0.28 0.00 0.00 0.11 -1.78 0.21 132.00 129.60 1lql h PRO 1862Ca 0.02 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1lql h PRO 1862Cb 0.69 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1lql h PRO 1862CO -0.25 -0.19 0.00 0.00 -0.21 0.00 0.00 178.00 177.35 1lql h ALA 1863N 0.29 1.00 -0.26 -0.75 0.00 -1.76 -1.58 119.26 116.20 1lql h ALA 1863Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1lql h ALA 1863Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1lql h ALA 1863CO -0.66 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.22 1lql n LYS 1864N -2.72 2.14 -2.22 0.00 4.76 0.64 -4.95 118.16 115.82 1lql n LYS 1864Ca -0.02 -1.99 -0.18 0.00 -2.87 0.00 0.00 58.31 53.25 1lql n LYS 1864Cb 0.07 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1lql n LYS 1864CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1lql n MET 1865N 1.17 -1.76 -3.67 1.97 2.81 -0.60 -4.95 117.12 112.11 1lql n MET 1865Ca 0.15 0.92 -0.36 0.00 -1.81 0.00 0.00 57.70 56.60 1lql n MET 1865Cb 0.52 -5.50 -0.09 0.00 -0.71 0.00 0.00 33.22 27.43 1lql n MET 1865CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1lql s ILE 1866N -2.83 5.37 -0.13 2.02 1.09 -1.07 -4.98 121.20 120.66 1lql s ILE 1866Ca 0.00 0.20 -0.04 0.00 -1.10 0.00 0.00 60.65 59.71 1lql s ILE 1866Cb 0.00 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.86 1lql s ILE 1866CO 0.00 0.36 0.02 0.42 -0.10 0.00 0.00 174.94 175.65 1lql s THR 1867N 0.90 4.48 -0.23 2.92 -4.23 -1.26 -4.45 115.64 113.78 1lql s THR 1867Ca 0.08 -0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1lql s THR 1867Cb -0.13 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1lql s THR 1867CO 0.03 0.54 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.88 1lql s ILE 1868N -0.24 2.08 -0.04 2.99 -1.09 -1.26 -4.17 121.20 119.47 1lql s ILE 1868Ca 0.07 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.16 1lql s ILE 1868Cb -0.12 -2.09 -0.25 0.00 -1.58 0.00 0.00 42.46 38.42 1lql s ILE 1868CO 0.02 0.18 0.69 0.78 -1.23 0.00 0.00 174.94 175.38 1lql h ASN 1869N 7.85 0.25 -3.59 3.58 4.21 -1.31 -3.46 115.58 123.10 1lql h ASN 1869Ca -0.29 -0.44 -0.25 0.00 1.21 0.00 0.00 56.30 56.53 1lql h ASN 1869Cb 1.08 -0.08 -0.31 0.00 -1.12 0.00 0.00 38.32 37.89 1lql h ASN 1869CO 0.52 1.39 -0.65 -0.54 -1.29 0.00 0.00 177.43 176.85 1lql s LYS 1870N -2.60 0.05 -0.04 0.81 -0.14 -1.09 -4.98 119.74 111.74 1lql s LYS 1870Ca -0.10 0.20 -0.02 0.00 -1.36 0.00 0.00 55.97 54.69 1lql s LYS 1870Cb 0.07 -0.11 0.03 0.00 -1.68 0.00 0.00 37.83 36.15 1lql s LYS 1870CO 0.82 -0.10 0.08 -1.17 -0.76 0.00 0.00 175.35 174.22 1lql s LEU 1871N 0.67 0.39 -0.07 3.17 0.20 -1.26 -0.86 118.68 120.92 1lql s LEU 1871Ca -0.05 0.13 -0.15 0.00 0.69 0.00 0.00 54.13 54.75 1lql s LEU 1871Cb -0.07 -0.00 0.03 0.00 -0.43 0.00 0.00 46.19 45.71 1lql s LEU 1871CO -0.03 -0.21 0.35 -1.48 -0.29 0.00 0.00 176.35 174.70 1lql s LEU 1872N 1.82 0.67 -0.03 -0.68 0.05 -1.15 -5.02 118.68 114.34 1lql s LEU 1872Ca -0.00 0.40 0.04 0.00 0.05 0.00 0.00 54.13 54.62 1lql s LEU 1872Cb -0.12 1.33 -0.01 0.00 -2.05 0.00 0.00 46.19 45.34 1lql s LEU 1872CO -0.04 -0.32 -0.16 -0.32 -0.55 0.00 0.00 176.35 174.96 1lql s MET 1873N -0.67 1.57 -0.20 1.48 1.75 -1.26 -0.82 119.30 121.16 1lql s MET 1873Ca -0.08 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 53.75 1lql s MET 1873Cb -0.04 -1.41 -0.01 0.00 2.84 0.00 0.00 34.83 36.20 1lql s MET 1873CO 0.03 0.27 -0.05 1.21 -0.65 0.00 0.00 175.02 175.83 1lql s ASN 1874N -0.08 4.38 -0.03 1.11 3.84 0.05 -4.97 114.94 119.24 1lql s ASN 1874Ca -0.01 -0.33 0.06 0.00 0.21 0.00 0.00 52.86 52.80 1lql s ASN 1874Cb -0.10 -1.74 -0.02 0.00 -0.55 0.00 0.00 41.25 38.84 1lql s ASN 1874CO 0.01 0.04 -0.22 -0.69 -2.79 0.00 0.00 177.10 173.45 1lql s VAL 1875N 1.14 2.42 -0.02 -5.21 1.01 -1.26 -0.68 120.40 117.81 1lql s VAL 1875Ca 0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 1lql s VAL 1875Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1lql s VAL 1875CO -0.01 0.58 0.03 0.42 0.00 0.00 0.00 175.10 176.13 1lql s THR 1876N -0.66 -0.03 0.12 3.92 -4.23 -0.62 -4.94 115.64 109.21 1lql s THR 1876Ca 0.11 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1lql s THR 1876Cb -0.10 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 1lql s THR 1876CO -0.00 0.04 -0.00 -0.83 -0.54 0.00 0.00 174.62 173.29 1lql s GLY 1877N 0.56 0.93 0.04 3.99 0.00 -1.26 0.21 107.32 111.79 1lql s GLY 1877Ca -0.05 -1.44 -0.09 0.00 0.00 0.00 0.00 44.72 43.14 1lql s GLY 1877CO -0.02 -1.43 0.19 -1.35 0.00 0.00 0.00 173.10 170.49 1lql s SER 1878N -3.07 0.04 0.08 1.64 1.04 0.13 -4.95 113.70 108.62 1lql s SER 1878Ca 0.18 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1lql s SER 1878Cb 0.07 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1lql s SER 1878CO -0.01 -0.55 0.28 0.00 0.98 0.00 0.00 173.24 173.95 1lql s ARG 1879N -2.52 0.89 -0.23 4.02 1.70 -1.26 -0.76 118.95 120.79 1lql s ARG 1879Ca -0.05 -0.74 -0.14 0.00 -0.47 0.00 0.00 55.73 54.33 1lql s ARG 1879Cb -0.01 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1lql s ARG 1879CO -0.04 -0.30 0.31 -1.12 -1.08 0.00 0.00 175.30 173.07 1lql s SER 1880N -2.57 6.29 0.19 -2.89 0.01 -1.26 -4.96 113.70 108.50 1lql s SER 1880Ca 0.01 0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.61 1lql s SER 1880Cb 0.02 -2.18 0.09 0.00 0.21 0.00 0.00 66.02 64.16 1lql s SER 1880CO -0.09 -0.05 1.45 0.71 0.41 0.00 0.00 173.24 175.67 1lql h THR 1881N 5.11 1.42 -2.17 1.44 1.35 -1.93 -3.32 112.91 114.81 1lql h THR 1881Ca -0.36 -2.27 -0.59 0.00 -0.55 0.00 0.00 66.41 62.64 1lql h THR 1881Cb 1.17 2.21 -0.42 0.00 -1.73 0.00 0.00 68.15 69.38 1lql h THR 1881CO 0.68 0.67 -0.67 -3.20 -0.25 0.00 0.00 175.52 172.74 1lql n ASN 1882N -3.78 3.19 -4.75 5.36 5.15 -1.26 -5.06 115.26 114.11 1lql n ASN 1882Ca -0.03 -3.32 -0.29 0.00 -0.60 0.00 0.00 54.58 50.33 1lql n ASN 1882Cb 0.72 -0.67 0.13 0.00 -0.53 0.00 0.00 39.78 39.43 1lql n ASN 1882CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1lql s PRO 1883N -2.26 1.34 -0.23 1.20 0.04 -1.25 -4.99 135.00 128.86 1lql s PRO 1883Ca 0.39 0.63 0.07 0.00 0.04 0.00 0.00 61.00 62.13 1lql s PRO 1883Cb 0.15 -1.83 -0.19 0.00 0.04 0.00 0.00 34.50 32.67 1lql s PRO 1883CO -0.03 -2.13 -0.12 2.41 0.04 0.00 0.00 177.00 177.17 1lql n THR 1884N -3.78 1.37 -0.30 1.26 -1.04 -1.26 -4.51 114.28 106.02 1lql n THR 1884Ca 0.07 -0.63 0.06 0.00 -2.04 0.00 0.00 64.05 61.51 1lql n THR 1884Cb 0.56 -1.06 0.22 0.00 -1.82 0.00 0.00 70.33 68.23 1lql n THR 1884CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1lql h ASP 1885N 0.00 0.62 0.00 8.00 3.32 -2.01 -3.45 116.42 122.90 1lql h ASP 1885Ca -0.54 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1lql h ASP 1885Cb 1.97 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.48 1lql h ASP 1885CO -0.04 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1lql n GLY 1886N -1.33 0.92 3.39 2.75 0.00 -1.26 -5.05 105.19 104.61 1lql n GLY 1886Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1lql n GLY 1886CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lql s TYR 1887N -2.00 3.24 -2.62 1.61 5.04 -1.26 -4.93 117.35 116.43 1lql s TYR 1887Ca 0.00 -0.90 0.24 0.00 -2.44 0.00 0.00 57.07 53.98 1lql s TYR 1887Cb 0.00 -3.16 0.59 0.00 0.35 0.00 0.00 41.96 39.74 1lql s TYR 1887CO 0.00 -0.80 1.48 1.19 -1.34 0.00 0.00 175.55 176.08 1lql n PHE 1888N 5.24 0.14 -1.28 4.97 3.72 -1.26 -4.65 117.46 124.34 1lql n PHE 1888Ca -0.12 -0.07 -0.08 0.00 -0.05 0.00 0.00 57.45 57.13 1lql n PHE 1888Cb 0.44 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.03 1lql n PHE 1888CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lql n GLY 1889N 1.29 -1.16 3.68 1.37 0.00 -1.26 -4.73 105.19 104.38 1lql n GLY 1889Ca 0.17 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1lql n GLY 1889CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lql s LEU 1890N 0.00 4.24 0.04 0.99 1.43 -1.26 -4.42 118.68 119.70 1lql s LEU 1890Ca 0.19 1.70 0.16 0.00 -1.03 0.00 0.00 54.13 55.15 1lql s LEU 1890Cb -0.01 -3.55 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 1lql s LEU 1890CO 0.14 -0.60 0.80 0.03 0.23 0.00 0.00 176.35 176.95 1lql h ARG 1891N 7.53 0.00 -3.55 1.70 3.08 -1.11 -3.37 114.38 118.65 1lql h ARG 1891Ca -0.31 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.56 1lql h ARG 1891Cb 1.14 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.94 1lql h ARG 1891CO 0.90 0.33 -0.59 -2.00 -1.07 0.00 0.00 179.97 177.55 1lql s GLU 1892N -2.86 0.22 -0.12 0.04 2.12 -1.18 0.27 118.70 117.20 1lql s GLU 1892Ca -0.03 -0.07 -0.07 0.00 0.36 0.00 0.00 54.97 55.16 1lql s GLU 1892Cb 0.09 0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.62 1lql s GLU 1892CO 0.81 -0.04 0.29 -1.50 -0.54 0.00 0.00 175.26 174.28 1lql s ILE 1893N -0.46 -0.03 -0.12 -3.70 2.07 -0.58 0.20 121.20 118.58 1lql s ILE 1893Ca -0.05 0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 1lql s ILE 1893Cb -0.03 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 1lql s ILE 1893CO 0.00 0.05 -0.21 0.20 -1.91 0.00 0.00 174.94 173.07 1lql s ASN 1894N 1.12 3.31 -0.34 4.50 0.01 0.58 -1.48 114.94 122.63 1lql s ASN 1894Ca -0.08 -0.52 -0.09 0.00 -0.71 0.00 0.00 52.86 51.46 1lql s ASN 1894Cb -0.09 -1.47 0.02 0.00 0.41 0.00 0.00 41.25 40.12 1lql s ASN 1894CO -0.08 0.13 0.15 -0.76 -1.51 0.00 0.00 177.10 175.03 1lql s LEU 1895N 0.50 4.32 -0.21 0.60 1.43 0.19 -1.58 118.68 123.93 1lql s LEU 1895Ca -0.14 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1lql s LEU 1895Cb -0.17 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1lql s LEU 1895CO 0.05 -0.29 -0.05 -2.28 0.23 0.00 0.00 176.35 174.01 1lql s HIS 1896N 1.54 2.95 0.04 0.29 2.46 0.14 -1.43 115.29 121.28 1lql s HIS 1896Ca 0.02 -0.90 -0.03 0.00 0.47 0.00 0.00 55.06 54.62 1lql s HIS 1896Cb -0.18 -2.07 -0.04 0.00 -0.13 0.00 0.00 32.58 30.15 1lql s HIS 1896CO 0.05 -0.50 0.24 -1.58 -2.47 0.00 0.00 174.74 170.48 1lql s TRP 1897N 1.33 3.54 -0.43 3.88 0.52 -0.54 -0.77 118.94 126.47 1lql s TRP 1897Ca 0.04 0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.58 1lql s TRP 1897Cb -0.14 -1.87 0.13 0.00 -1.15 0.00 0.00 33.47 30.44 1lql s TRP 1897CO -0.03 0.59 0.23 -2.00 0.02 0.00 0.00 176.95 175.76 1lql s GLU 1898N -2.19 1.23 -0.41 4.98 2.12 0.00 0.15 118.70 124.58 1lql s GLU 1898Ca 0.32 -1.93 -0.15 0.00 0.36 0.00 0.00 54.97 53.56 1lql s GLU 1898Cb -0.13 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 32.01 1lql s GLU 1898CO 0.22 -1.16 0.31 0.42 -0.54 0.00 0.00 175.26 174.52 1lql s ILE 1899N 0.44 5.24 -0.61 -3.70 -1.09 -0.61 -2.94 121.20 117.93 1lql s ILE 1899Ca 0.17 -0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 57.77 1lql s ILE 1899Cb -0.24 -3.93 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 1lql s ILE 1899CO -0.00 -0.31 0.95 -1.00 -1.23 0.00 0.00 174.94 173.36 1lql s HIS 1900N 1.74 2.72 -0.17 3.97 3.76 -0.04 -0.67 115.29 126.60 1lql s HIS 1900Ca 0.06 -0.32 -0.15 0.00 -0.15 0.00 0.00 55.06 54.50 1lql s HIS 1900Cb -0.19 -4.19 0.05 0.00 1.11 0.00 0.00 32.58 29.36 1lql s HIS 1900CO 0.10 -1.52 0.46 0.45 -0.85 0.00 0.00 174.74 173.38 1lql s SER 1901N 3.31 -0.49 0.45 1.40 0.15 -1.20 -0.69 113.70 116.63 1lql s SER 1901Ca 0.25 0.93 0.31 0.00 0.70 0.00 0.00 55.95 58.14 1lql s SER 1901Cb -0.15 0.92 1.41 0.00 -1.71 0.00 0.00 66.02 66.50 1lql s SER 1901CO 0.14 -0.17 1.92 1.55 1.20 0.00 0.00 173.24 177.89 1lql h PRO 1902N 5.68 0.00 -6.93 5.44 0.13 -1.87 -3.38 132.00 131.06 1lql h PRO 1902Ca -0.28 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.28 1lql h PRO 1902Cb 1.18 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.46 1lql h PRO 1902CO 0.23 0.00 0.38 0.09 -0.23 0.00 0.00 178.00 178.47 1lql n ASN 1903N -2.71 1.80 -3.11 1.44 3.02 -1.26 -4.99 115.26 109.45 1lql n ASN 1903Ca 0.00 0.91 -0.17 0.00 -0.03 0.00 0.00 54.58 55.28 1lql n ASN 1903Cb 0.20 -1.49 0.15 0.00 -0.61 0.00 0.00 39.78 38.04 1lql n ASN 1903CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1lql n SER 1904N -0.88 -2.14 0.21 6.41 3.41 -1.26 -4.76 113.62 114.60 1lql n SER 1904Ca 0.12 -0.76 -0.10 0.00 -0.26 0.00 0.00 58.87 57.87 1lql n SER 1904Cb 0.45 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 1lql n SER 1904CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1lql h GLU 1905N 0.00 -0.57 -0.63 4.33 5.08 -1.98 -2.51 114.58 118.30 1lql h GLU 1905Ca -0.23 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1lql h GLU 1905Cb 0.73 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1lql h GLU 1905CO 0.15 -0.36 0.42 1.79 -1.00 0.00 0.00 179.01 180.01 1lql h THR 1906N -1.14 0.95 0.81 1.13 1.35 -1.98 0.77 112.91 114.80 1lql h THR 1906Ca -0.06 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 1lql h THR 1906Cb 0.48 0.37 0.01 0.00 -1.73 0.00 0.00 68.15 67.28 1lql h THR 1906CO 0.10 0.10 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.75 1lql h GLU 1907N 0.53 -1.05 -0.90 4.72 5.08 -1.93 -1.22 114.58 119.81 1lql h GLU 1907Ca 0.28 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.84 1lql h GLU 1907Cb 0.42 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 1lql h GLU 1907CO -0.09 -0.70 0.58 0.82 -1.00 0.00 0.00 179.01 178.62 1lql h ILE 1908N -1.29 0.89 0.56 3.13 1.08 -0.94 0.98 117.51 121.91 1lql h ILE 1908Ca -0.11 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 1lql h ILE 1908Cb 0.83 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1lql h ILE 1908CO 0.18 0.14 -0.36 0.50 -0.69 0.00 0.00 178.15 177.93 1lql h LYS 1909N 0.78 -0.83 -0.92 2.37 3.11 0.72 -2.44 116.57 119.37 1lql h LYS 1909Ca 0.44 0.06 0.09 0.00 -2.81 0.00 0.00 60.65 58.43 1lql h LYS 1909Cb 0.59 0.19 -0.07 0.00 -1.00 0.00 0.00 32.23 31.94 1lql h LYS 1909CO -0.20 -0.55 0.57 0.93 -2.81 0.00 0.00 179.45 177.38 1lql h GLU 1910N -0.86 0.94 -0.63 1.90 5.08 -0.76 -2.09 114.58 118.16 1lql h GLU 1910Ca -0.07 -0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1lql h GLU 1910Cb 0.69 -0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.62 1lql h GLU 1910CO 0.07 0.62 -0.06 0.35 -1.00 0.00 0.00 179.01 178.98 1lql h PHE 1911N 0.97 -0.16 -0.11 4.33 -0.00 -0.61 0.30 116.94 121.66 1lql h PHE 1911Ca 0.43 0.05 -0.16 0.00 -0.00 0.00 0.00 57.97 58.29 1lql h PHE 1911Cb 0.32 0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.43 1lql h PHE 1911CO -0.03 -0.22 -0.62 0.82 -0.00 0.00 0.00 178.31 178.26 1lql h ILE 1912N 0.06 1.36 -0.62 1.41 5.03 -0.91 0.71 117.51 124.55 1lql h ILE 1912Ca 0.32 -1.96 0.01 0.00 -0.12 0.00 0.00 64.86 63.11 1lql h ILE 1912Cb 0.51 1.96 -0.03 0.00 -3.03 0.00 0.00 36.82 36.23 1lql h ILE 1912CO -0.59 0.59 0.41 0.44 -0.68 0.00 0.00 178.15 178.33 1lql h ASP 1913N 0.29 0.70 0.30 1.72 3.45 -0.43 1.64 116.42 124.09 1lql h ASP 1913Ca -0.01 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 1lql h ASP 1913Cb 1.16 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 1lql h ASP 1913CO 0.11 0.50 -0.14 0.15 -1.57 0.00 0.00 179.24 178.29 1lql h PHE 1914N 0.82 -0.37 -1.04 4.55 3.04 0.01 -1.68 116.94 122.27 1lql h PHE 1914Ca 0.23 -0.01 0.30 0.00 3.98 0.00 0.00 57.97 62.47 1lql h PHE 1914Cb -0.07 0.12 -0.13 0.00 2.56 0.00 0.00 35.95 38.43 1lql h PHE 1914CO -0.00 -0.23 0.63 0.28 -2.02 0.00 0.00 178.31 176.97 1lql h VAL 1915N -0.82 0.41 -0.40 1.41 2.07 0.86 0.44 116.25 120.22 1lql h VAL 1915Ca -0.04 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1lql h VAL 1915Cb 0.31 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1lql h VAL 1915CO 0.07 0.07 -0.05 0.28 0.02 0.00 0.00 177.57 177.96 1lql h SER 1916N 0.40 0.73 0.15 0.57 0.02 0.24 -0.45 113.55 115.21 1lql h SER 1916Ca 0.68 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1lql h SER 1916Cb 1.58 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1lql h SER 1916CO -0.48 0.90 0.00 0.29 -1.14 0.00 0.00 176.83 176.40 1lql n LYS 1917N -4.39 0.26 -0.00 3.45 5.02 0.14 -3.85 118.16 118.79 1lql n LYS 1917Ca -0.01 0.11 -0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1lql n LYS 1917Cb 0.32 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1lql n LYS 1917CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1lql n ARG 1918N -1.18 3.49 -1.96 1.97 3.00 -0.42 -4.92 116.66 116.65 1lql n ARG 1918Ca 0.07 -0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.50 1lql n ARG 1918Cb 0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 32.46 31.51 1lql n ARG 1918CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1lql h PRO 1920N 6.00 0.58 -0.64 0.00 0.11 -1.92 -0.50 132.00 135.63 1lql h PRO 1920Ca -0.44 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1lql h PRO 1920Cb 1.21 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 1lql h PRO 1920CO 0.85 0.38 0.37 0.00 -0.21 0.00 0.00 178.00 179.39 1lql h ALA 1921N 1.43 0.84 -0.30 -0.75 0.00 -1.91 0.02 119.26 118.59 1lql h ALA 1921Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1lql h ALA 1921Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lql h ALA 1921CO -0.27 0.07 -0.11 1.25 0.00 0.00 0.00 179.25 180.19 1lql h HIS 1922N 0.70 0.69 -0.59 0.00 6.17 -1.72 -2.08 115.15 118.32 1lql h HIS 1922Ca 0.27 -0.16 0.06 0.00 0.71 0.00 0.00 60.37 61.25 1lql h HIS 1922Cb 0.12 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 29.83 1lql h HIS 1922CO -0.07 0.82 0.30 -0.91 0.71 0.00 0.00 177.93 178.78 1lql h ASN 1923N 0.37 0.41 0.18 3.26 4.21 -0.58 0.17 115.58 123.59 1lql h ASN 1923Ca 0.07 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 1lql h ASN 1923Cb 0.62 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1lql h ASN 1923CO 0.04 0.27 -0.12 0.74 -1.29 0.00 0.00 177.43 177.06 1lql h THR 1924N 0.55 0.00 0.00 2.81 2.02 -0.88 -2.52 112.91 114.90 1lql h THR 1924Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1lql h THR 1924Cb 0.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1lql h THR 1924CO -0.20 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.87 1lql n LEU 1925N -3.00 0.00 -0.18 2.58 4.77 -0.79 -2.80 117.00 117.58 1lql n LEU 1925Ca -0.03 0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1lql n LEU 1925Cb 0.12 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1lql n LEU 1925CO 0.08 -0.36 0.81 -0.61 -1.33 0.00 0.00 177.39 175.98 1lql h GLN 1926N 0.00 0.91 -1.11 3.23 -0.00 -0.19 -3.21 115.11 114.74 1lql h GLN 1926Ca 0.00 -0.29 -0.59 0.00 -0.00 0.00 0.00 58.65 57.77 1lql h GLN 1926Cb 0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 27.48 27.18 1lql h GLN 1926CO 0.00 0.93 0.77 0.41 0.00 0.00 0.00 178.83 180.94 1lql n GLY 1927N -0.39 5.41 0.07 2.39 0.00 -1.12 -4.45 105.19 107.10 1lql n GLY 1927Ca 0.01 -1.98 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 1lql n GLY 1927CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lql h VAL 1928N 0.99 1.30 0.00 1.61 2.07 -1.76 -3.48 116.25 116.99 1lql h VAL 1928Ca 0.54 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1lql h VAL 1928Cb 0.94 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1lql h VAL 1928CO 1.39 0.74 0.00 -1.54 0.02 0.00 0.00 177.57 178.18 1lql n SER 1929N -3.21 0.00 -0.59 0.57 3.41 -1.26 -4.40 113.62 108.14 1lql n SER 1929Ca -0.07 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.59 1lql n SER 1929Cb 0.98 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 65.04 1lql n SER 1929CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lql n GLN 1930N -0.12 2.05 -5.19 4.33 6.02 -1.26 -4.83 117.38 118.38 1lql n GLN 1930Ca 0.00 -1.75 -0.31 0.00 -0.01 0.00 0.00 57.00 54.92 1lql n GLN 1930Cb 0.00 -1.26 -0.17 0.00 1.02 0.00 0.00 30.24 29.83 1lql n GLN 1930CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1lql s LEU 1931N -0.99 2.05 -0.27 1.08 2.96 -1.26 -4.18 118.68 118.07 1lql s LEU 1931Ca 0.20 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1lql s LEU 1931Cb 0.12 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.47 1lql s LEU 1931CO 0.16 0.18 0.02 -0.75 -1.32 0.00 0.00 176.35 174.64 1lql s LYS 1932N 0.19 3.03 -0.28 1.98 2.20 0.14 -4.83 119.74 122.17 1lql s LYS 1932Ca -0.13 -0.87 -0.12 0.00 -0.36 0.00 0.00 55.97 54.49 1lql s LYS 1932Cb -0.16 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1lql s LYS 1932CO 0.07 -0.40 0.22 0.42 -0.36 0.00 0.00 175.35 175.30 1lql s ILE 1933N 1.44 5.29 -0.24 5.43 1.09 -1.26 -1.53 121.20 131.41 1lql s ILE 1933Ca 0.02 0.20 -0.06 0.00 -1.10 0.00 0.00 60.65 59.71 1lql s ILE 1933Cb -0.17 -3.57 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 1lql s ILE 1933CO -0.00 0.21 0.02 0.20 -0.10 0.00 0.00 174.94 175.27 1lql s ASN 1934N 1.74 4.79 -0.11 3.58 0.01 -0.55 -5.00 114.94 119.39 1lql s ASN 1934Ca 0.08 -0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 51.88 1lql s ASN 1934Cb -0.16 -1.84 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 1lql s ASN 1934CO 0.11 -0.05 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.86 1lql s VAL 1935N 1.54 3.42 -0.15 1.60 1.01 -1.26 0.56 120.40 127.12 1lql s VAL 1935Ca 0.06 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1lql s VAL 1935Cb -0.15 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.84 1lql s VAL 1935CO 0.01 0.54 0.50 0.54 0.00 0.00 0.00 175.10 176.68 1lql s ASN 1936N -0.05 -0.49 0.07 3.32 4.22 -0.51 -4.99 114.94 116.50 1lql s ASN 1936Ca -0.01 0.85 0.06 0.00 -2.14 0.00 0.00 52.86 51.62 1lql s ASN 1936Cb -0.14 0.88 -0.03 0.00 1.28 0.00 0.00 41.25 43.24 1lql s ASN 1936CO 0.03 -0.26 -0.16 0.54 -2.04 0.00 0.00 177.10 175.21 1lql s VAL 1937N -0.11 1.27 -0.38 3.54 0.11 -1.26 -1.46 120.40 122.11 1lql s VAL 1937Ca -0.03 -1.26 -0.07 0.00 -2.93 0.00 0.00 61.98 57.69 1lql s VAL 1937Cb -0.03 -1.18 0.07 0.00 -1.53 0.00 0.00 36.38 33.70 1lql s VAL 1937CO 0.02 -0.10 0.17 -0.89 -3.33 0.00 0.00 175.10 170.98 1lql s THR 1938N -1.10 3.83 -0.12 5.04 2.01 0.12 -4.90 115.64 120.53 1lql s THR 1938Ca 0.01 -1.39 -0.26 0.00 0.31 0.00 0.00 61.69 60.37 1lql s THR 1938Cb -0.09 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1lql s THR 1938CO 0.02 -0.38 0.83 -0.22 -0.69 0.00 0.00 174.62 174.18 1lql s LEU 1939N 1.36 4.24 -0.48 4.42 0.20 -1.26 -1.58 118.68 125.58 1lql s LEU 1939Ca 0.01 1.26 0.03 0.00 0.69 0.00 0.00 54.13 56.13 1lql s LEU 1939Cb -0.21 -3.26 0.13 0.00 -0.43 0.00 0.00 46.19 42.42 1lql s LEU 1939CO 0.01 -0.31 0.24 -0.69 -0.29 0.00 0.00 176.35 175.31 1lql s VAL 1940N 1.65 2.19 -1.86 1.68 1.01 0.16 -4.97 120.40 120.27 1lql s VAL 1940Ca 0.40 -3.00 0.00 0.00 0.00 0.00 0.00 61.98 59.39 1lql s VAL 1940Cb -0.18 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1lql s VAL 1940CO 0.16 -0.81 0.46 1.41 0.00 0.00 0.00 175.10 176.33