#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbi h PRO -3 N 0.00 0.00 0.00 1.61 0.11 -2.16 -3.46 132.00 128.10 2kbi h PRO -3 Ca 0.00 0.00 0.29 0.00 0.11 0.00 0.00 66.00 66.40 2kbi h PRO -3 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.06 2kbi h PRO -3 CO 0.00 0.00 0.75 0.41 -0.21 0.00 0.00 178.00 178.95 2kbi n GLY -2 N -1.47 0.26 3.35 -0.55 0.00 -1.26 -5.20 105.19 100.33 2kbi n GLY -2 Ca 0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2kbi n GLY -2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kbi s SER -1 N -3.29 0.10 0.87 1.61 0.15 -1.26 -5.18 113.70 106.69 2kbi s SER -1 Ca 0.25 -1.23 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 2kbi s SER -1 Cb -0.00 0.47 0.11 0.00 -1.71 0.00 0.00 66.02 64.89 2kbi s SER -1 CO -0.01 -0.97 1.10 -1.83 1.20 0.00 0.00 173.24 172.74 2kbi s GLU 1773N -4.07 1.46 -1.29 5.44 -1.05 -1.26 -4.97 118.70 112.96 2kbi s GLU 1773Ca 0.33 0.59 -0.18 0.00 -0.15 0.00 0.00 54.97 55.56 2kbi s GLU 1773Cb 0.04 -1.85 0.02 0.00 -0.44 0.00 0.00 34.13 31.90 2kbi s GLU 1773CO 0.11 -2.04 1.93 -1.71 0.95 0.00 0.00 175.26 174.50 2kbi n ASN 1774N -3.71 4.20 -4.55 0.83 5.15 -1.26 -4.95 115.26 110.96 2kbi n ASN 1774Ca 0.07 -2.85 -0.35 0.00 -0.60 0.00 0.00 54.58 50.85 2kbi n ASN 1774Cb 0.57 -1.67 -0.04 0.00 -0.53 0.00 0.00 39.78 38.11 2kbi n ASN 1774CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2kbi s PHE 1775N 4.76 1.66 0.00 1.20 5.36 -1.26 -4.95 117.98 124.75 2kbi s PHE 1775Ca 0.54 0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 57.27 2kbi s PHE 1775Cb 0.07 -4.04 -0.00 0.00 -0.34 0.00 0.00 43.02 38.71 2kbi s PHE 1775CO 0.04 -2.16 0.07 -1.12 -1.46 0.00 0.00 175.22 170.59 2kbi s SER 1776N 8.33 0.07 0.15 6.13 0.01 -1.26 -5.06 113.70 122.07 2kbi s SER 1776Ca 0.70 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.72 2kbi s SER 1776Cb -0.11 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2kbi s SER 1776CO 0.15 -0.27 1.37 0.58 0.41 0.00 0.00 173.24 175.48 2kbi h VAL 1777N 4.57 1.41 -3.32 3.43 2.07 -2.07 -3.44 116.25 118.90 2kbi h VAL 1777Ca -0.30 -2.35 -0.53 0.00 0.82 0.00 0.00 66.70 64.34 2kbi h VAL 1777Cb 1.20 2.30 0.06 0.00 -1.52 0.00 0.00 31.29 33.34 2kbi h VAL 1777CO 0.42 0.70 0.80 0.00 0.02 0.00 0.00 177.57 179.51 2kbi s ALA 1778N -3.40 3.67 0.11 1.67 0.00 -1.26 -5.04 121.76 117.51 2kbi s ALA 1778Ca -0.05 1.39 -0.13 0.00 0.00 0.00 0.00 51.96 53.17 2kbi s ALA 1778Cb 0.10 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2kbi s ALA 1778CO 0.85 -0.81 0.31 -0.08 0.00 0.00 0.00 175.76 176.03 2kbi s THR 1779N 0.09 0.10 0.57 0.00 -1.32 -1.26 -5.05 115.64 108.76 2kbi s THR 1779Ca 0.61 -0.82 0.37 0.00 -1.21 0.00 0.00 61.69 60.64 2kbi s THR 1779Cb -0.44 -1.22 0.39 0.00 -1.51 0.00 0.00 72.50 69.73 2kbi s THR 1779CO 0.43 -0.45 2.27 -0.33 -2.21 0.00 0.00 174.62 174.33 2kbi h GLU 1780N 2.57 0.00 0.00 7.08 4.39 -1.97 -0.97 114.58 125.68 2kbi h GLU 1780Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2kbi h GLU 1780Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2kbi h GLU 1780CO 0.51 0.02 0.00 0.39 -1.16 0.00 0.00 179.01 178.76 2kbi n GLU 1781N -3.41 0.06 0.00 2.33 -0.58 -1.26 -4.19 120.64 113.59 2kbi n GLU 1781Ca -0.03 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2kbi n GLU 1781Cb 0.11 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 2kbi n GLU 1781CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kbi n SER 1782N -1.72 0.69 -3.93 1.62 7.64 -0.50 -5.13 113.62 112.29 2kbi n SER 1782Ca 0.04 -0.05 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 2kbi n SER 1782Cb 0.23 0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 2kbi n SER 1782CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kbi s THR 1783N -0.38 0.00 0.03 0.44 -1.32 -0.49 -4.95 115.64 108.98 2kbi s THR 1783Ca 0.00 -1.21 -0.01 0.00 -1.21 0.00 0.00 61.69 59.26 2kbi s THR 1783Cb 0.00 -2.10 -0.03 0.00 -1.51 0.00 0.00 72.50 68.87 2kbi s THR 1783CO 0.00 -0.00 -0.02 -1.61 -2.21 0.00 0.00 174.62 170.78 2kbi s GLU 1784N -3.97 0.46 0.00 7.08 2.02 -1.26 -4.27 118.70 118.75 2kbi s GLU 1784Ca 0.17 -0.86 0.30 0.00 0.02 0.00 0.00 54.97 54.60 2kbi s GLU 1784Cb -0.03 0.16 1.46 0.00 0.10 0.00 0.00 34.13 35.82 2kbi s GLU 1784CO 0.08 -0.08 2.02 -0.35 0.02 0.00 0.00 175.26 176.95 2kbi n PRO 1785N 0.93 0.36 -4.21 0.39 -0.04 -1.26 -4.84 135.00 126.33 2kbi n PRO 1785Ca -0.20 -0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.11 2kbi n PRO 1785Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 2kbi n PRO 1785CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kbi s LEU 1786N -2.65 2.44 0.26 1.53 1.43 -1.26 -5.01 118.68 115.43 2kbi s LEU 1786Ca 0.26 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2kbi s LEU 1786Cb 0.20 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 2kbi s LEU 1786CO 0.48 -0.27 0.22 -0.44 0.23 0.00 0.00 176.35 176.57 2kbi s SER 1787N -2.67 0.79 0.45 2.29 0.01 -1.26 -5.06 113.70 108.24 2kbi s SER 1787Ca 0.09 -1.52 0.14 0.00 1.31 0.00 0.00 55.95 55.97 2kbi s SER 1787Cb -0.01 0.47 1.07 0.00 0.21 0.00 0.00 66.02 67.77 2kbi s SER 1787CO 0.00 -0.97 2.01 -0.08 0.41 0.00 0.00 173.24 174.62 2kbi h GLU 1788N 2.38 0.33 -0.14 12.44 4.81 -2.02 -2.23 114.58 130.15 2kbi h GLU 1788Ca -0.31 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 2kbi h GLU 1788Cb 1.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2kbi h GLU 1788CO 0.45 0.22 0.09 0.22 -0.73 0.00 0.00 179.01 179.26 2kbi h ASP 1789N 0.34 0.13 -0.40 1.04 3.58 -1.98 -1.58 116.42 117.55 2kbi h ASP 1789Ca 0.22 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.56 2kbi h ASP 1789Cb 0.45 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2kbi h ASP 1789CO -0.05 0.09 -0.20 0.44 -2.88 0.00 0.00 179.24 176.64 2kbi h ASP 1790N 0.15 0.86 -0.38 2.28 3.32 -1.82 -0.94 116.42 119.91 2kbi h ASP 1790Ca 0.05 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 2kbi h ASP 1790Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2kbi h ASP 1790CO -0.01 1.08 -0.16 -0.26 -1.72 0.00 0.00 179.24 178.17 2kbi h PHE 1791N 0.65 0.88 -0.31 4.55 0.04 -1.57 -1.31 116.94 119.87 2kbi h PHE 1791Ca 0.09 -0.21 0.04 0.00 2.80 0.00 0.00 57.97 60.68 2kbi h PHE 1791Cb 0.75 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 2kbi h PHE 1791CO 0.06 0.94 0.09 0.22 -0.60 0.00 0.00 178.31 179.02 2kbi h ASP 1792N 0.57 0.08 -0.23 2.17 3.58 -1.27 -1.48 116.42 119.83 2kbi h ASP 1792Ca 0.09 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.62 2kbi h ASP 1792Cb 0.70 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 2kbi h ASP 1792CO 0.05 0.08 -0.01 -0.03 -2.88 0.00 0.00 179.24 176.45 2kbi h MET 1793N 0.22 0.06 0.22 0.28 4.05 -1.15 -1.46 114.93 117.15 2kbi h MET 1793Ca 0.14 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.57 2kbi h MET 1793Cb 0.13 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 2kbi h MET 1793CO -0.16 0.04 -0.39 0.35 0.23 0.00 0.00 176.91 176.98 2kbi h PHE 1794N 0.06 -1.08 0.00 1.39 3.04 -0.85 -1.65 116.94 117.85 2kbi h PHE 1794Ca 0.11 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.03 2kbi h PHE 1794Cb 0.15 0.44 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2kbi h PHE 1794CO -0.20 -0.51 -0.26 1.88 -2.02 0.00 0.00 178.31 177.21 2kbi h TYR 1795N -0.69 0.00 -0.10 0.41 0.05 -1.24 0.17 116.97 115.58 2kbi h TYR 1795Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2kbi h TYR 1795Cb 0.67 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 2kbi h TYR 1795CO -0.30 0.26 -0.01 1.49 -1.05 0.00 0.00 178.16 178.56 2kbi h GLU 1796N 0.00 0.18 0.00 4.88 4.57 -1.06 -3.22 114.58 119.93 2kbi h GLU 1796Ca -0.00 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 2kbi h GLU 1796Cb 0.54 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2kbi h GLU 1796CO 0.03 0.45 -0.35 0.82 -1.18 0.00 0.00 179.01 178.78 2kbi h ILE 1797N -0.11 0.77 -0.25 2.32 1.08 -1.03 -3.30 117.51 116.99 2kbi h ILE 1797Ca 0.03 -1.54 0.04 0.00 -0.39 0.00 0.00 64.86 62.99 2kbi h ILE 1797Cb 0.37 1.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 2kbi h ILE 1797CO 0.01 0.35 0.03 -0.25 -0.69 0.00 0.00 178.15 177.59 2kbi h TRP 1798N 0.00 0.04 0.00 1.37 2.91 -0.98 -2.94 115.95 116.35 2kbi h TRP 1798Ca -0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2kbi h TRP 1798Cb 0.96 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 2kbi h TRP 1798CO 0.00 -0.01 0.00 1.05 -1.03 0.00 0.00 178.44 178.45 2kbi h GLU 1799N 0.11 0.00 0.00 2.65 4.11 -1.63 -1.04 114.58 118.78 2kbi h GLU 1799Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 2kbi h GLU 1799Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kbi h GLU 1799CO -0.17 0.00 -0.20 0.87 0.07 0.00 0.00 179.01 179.58 2kbi h LYS 1800N 0.00 0.00 0.00 1.06 1.79 -1.71 -3.03 116.57 114.68 2kbi h LYS 1800Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 2kbi h LYS 1800Cb 0.17 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2kbi h LYS 1800CO 0.00 0.20 -1.45 1.19 -1.08 0.00 0.00 179.45 178.31 2kbi n PHE 1801N -3.38 0.00 -3.47 -1.35 3.01 -0.71 -4.75 117.46 106.81 2kbi n PHE 1801Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 2kbi n PHE 1801Cb 0.41 -0.24 -0.08 0.00 -0.01 0.00 0.00 39.48 39.56 2kbi n PHE 1801CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2kbi n ASP 1802N -1.88 3.85 0.27 4.37 2.03 -0.48 -4.91 116.55 119.81 2kbi n ASP 1802Ca -0.03 -3.40 0.17 0.00 0.52 0.00 0.00 54.79 52.05 2kbi n ASP 1802Cb 0.30 -0.73 0.64 0.00 -0.72 0.00 0.00 41.12 40.61 2kbi n ASP 1802CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kbi h PRO 1803N 4.49 0.00 0.00 -0.67 0.13 -1.82 -2.63 132.00 131.50 2kbi h PRO 1803Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2kbi h PRO 1803Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2kbi h PRO 1803CO 0.85 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 2kbi n GLU 1804N -3.09 0.02 -1.38 0.86 -0.58 -1.26 -4.95 120.64 110.26 2kbi n GLU 1804Ca 0.01 0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 2kbi n GLU 1804Cb 0.33 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 2kbi n GLU 1804CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kbi n ALA 1805N -1.52 -0.21 0.52 0.62 0.00 -0.99 -4.88 120.51 114.04 2kbi n ALA 1805Ca 0.06 0.23 0.06 0.00 0.00 0.00 0.00 53.44 53.79 2kbi n ALA 1805Cb 0.31 -1.61 0.30 0.00 0.00 0.00 0.00 19.45 18.46 2kbi n ALA 1805CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kbi n THR 1806N -2.02 0.92 -1.68 0.00 -2.24 -1.26 -4.89 114.28 103.11 2kbi n THR 1806Ca -0.14 0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 2kbi n THR 1806Cb 0.52 -1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 2kbi n THR 1806CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kbi n GLN 1807N -1.42 -0.55 -4.16 -0.78 1.13 -1.26 -5.03 117.38 105.31 2kbi n GLN 1807Ca 0.04 0.56 -0.17 0.00 -1.94 0.00 0.00 57.00 55.49 2kbi n GLN 1807Cb 0.14 -4.42 -0.12 0.00 0.11 0.00 0.00 30.24 25.95 2kbi n GLN 1807CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2kbi s PHE 1808N -2.32 1.11 0.12 1.08 0.08 -1.26 -0.89 117.98 115.89 2kbi s PHE 1808Ca 0.00 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.56 2kbi s PHE 1808Cb 0.00 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.79 2kbi s PHE 1808CO 0.00 0.03 -0.06 0.96 -0.10 0.00 0.00 175.22 176.05 2kbi s ILE 1809N -1.59 0.76 0.47 0.64 -4.36 -1.01 -4.77 121.20 111.34 2kbi s ILE 1809Ca -0.01 -1.96 -0.20 0.00 -0.26 0.00 0.00 60.65 58.22 2kbi s ILE 1809Cb -0.08 -1.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.76 2kbi s ILE 1809CO 0.02 -0.79 0.99 -1.61 0.24 0.00 0.00 174.94 173.78 2kbi s GLU 1810N -3.83 4.02 0.54 0.37 2.02 -1.26 -1.08 118.70 119.47 2kbi s GLU 1810Ca 0.14 1.17 0.19 0.00 0.02 0.00 0.00 54.97 56.50 2kbi s GLU 1810Cb 0.05 -2.14 1.39 0.00 0.10 0.00 0.00 34.13 33.52 2kbi s GLU 1810CO -0.03 -0.22 2.16 -0.92 0.02 0.00 0.00 175.26 176.27 2kbi h TYR 1811N 1.60 0.00 0.00 1.61 5.03 -1.56 -0.95 116.97 122.70 2kbi h TYR 1811Ca -0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2kbi h TYR 1811Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.47 2kbi h TYR 1811CO 0.61 0.00 0.00 0.77 -1.32 0.00 0.00 178.16 178.22 2kbi h SER 1812N 0.00 0.00 0.00 -2.11 0.02 -1.94 -3.04 113.55 106.49 2kbi h SER 1812Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kbi h SER 1812Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kbi h SER 1812CO -0.00 0.00 -0.25 1.33 -1.14 0.00 0.00 176.83 176.77 2kbi n VAL 1813N -2.59 0.00 -0.32 2.27 0.24 -0.65 -4.75 118.33 112.53 2kbi n VAL 1813Ca -0.01 -0.31 0.09 0.00 -2.04 0.00 0.00 64.34 62.06 2kbi n VAL 1813Cb 0.10 0.84 0.26 0.00 -1.47 0.00 0.00 33.84 33.57 2kbi n VAL 1813CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2kbi h LEU 1814N 0.00 0.64 -0.97 1.34 5.85 -1.09 -0.86 115.31 120.22 2kbi h LEU 1814Ca 0.00 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2kbi h LEU 1814Cb 0.00 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2kbi h LEU 1814CO 0.00 0.25 -0.11 0.77 -0.34 0.00 0.00 178.44 179.01 2kbi h SER 1815N 0.69 0.60 0.08 1.25 4.64 -1.86 0.80 113.55 119.76 2kbi h SER 1815Ca 0.51 -0.17 -0.27 0.00 -0.47 0.00 0.00 61.79 61.39 2kbi h SER 1815Cb 0.73 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2kbi h SER 1815CO -0.37 0.75 -1.10 -0.78 -0.87 0.00 0.00 176.83 174.47 2kbi h ASP 1816N 0.57 0.87 0.08 4.97 3.58 -1.74 -3.13 116.42 121.62 2kbi h ASP 1816Ca 0.10 -0.73 0.01 0.00 0.42 0.00 0.00 57.03 56.84 2kbi h ASP 1816Cb 0.53 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2kbi h ASP 1816CO 0.03 1.53 -0.13 0.15 -2.88 0.00 0.00 179.24 177.94 2kbi h PHE 1817N 0.34 -0.33 -0.67 0.28 3.57 -1.09 -2.54 116.94 116.51 2kbi h PHE 1817Ca -0.14 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.54 2kbi h PHE 1817Cb 1.76 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.60 2kbi h PHE 1817CO 0.10 -0.20 0.47 0.00 -2.23 0.00 0.00 178.31 176.45 2kbi h ALA 1818N 0.63 2.48 0.00 2.41 0.00 -0.91 -1.51 119.26 122.35 2kbi h ALA 1818Ca 0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2kbi h ALA 1818Cb 0.27 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kbi h ALA 1818CO -0.07 -0.67 -1.14 0.22 0.00 0.00 0.00 179.25 177.59 2kbi h ASP 1819N 0.10 0.00 1.50 0.00 3.58 -1.46 0.55 116.42 120.69 2kbi h ASP 1819Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2kbi h ASP 1819Cb 1.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2kbi h ASP 1819CO -0.04 0.73 -0.22 0.00 -2.88 0.00 0.00 179.24 176.84 2kbi h ALA 1820N 1.27 0.87 -2.31 -0.78 0.00 -0.84 -3.46 119.26 114.01 2kbi h ALA 1820Ca -0.11 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.35 2kbi h ALA 1820Cb 1.65 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.61 2kbi h ALA 1820CO 0.08 0.00 0.15 -0.51 0.00 0.00 0.00 179.25 178.97 2kbi s LEU 1821N -5.15 1.34 0.44 0.00 1.43 -1.19 -5.05 118.68 110.52 2kbi s LEU 1821Ca 0.07 1.18 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 2kbi s LEU 1821Cb 0.10 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 2kbi s LEU 1821CO 0.66 -3.42 0.93 -0.44 0.23 0.00 0.00 176.35 174.31 2kbi s SER 1822N -3.34 6.79 0.62 2.29 0.01 -1.26 -4.68 113.70 114.12 2kbi s SER 1822Ca 0.66 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 59.31 2kbi s SER 1822Cb -0.19 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2kbi s SER 1822CO 0.59 -0.42 1.20 -1.61 0.41 0.00 0.00 173.24 173.41 2kbi s GLU 1823N -3.50 2.85 0.05 12.44 2.02 -1.26 -1.95 118.70 129.35 2kbi s GLU 1823Ca 0.59 1.79 0.27 0.00 0.02 0.00 0.00 54.97 57.64 2kbi s GLU 1823Cb -0.10 -1.92 0.86 0.00 0.10 0.00 0.00 34.13 33.07 2kbi s GLU 1823CO 0.21 -1.29 1.69 -0.35 0.02 0.00 0.00 175.26 175.54 2kbi n PRO 1824N -1.79 0.08 -0.17 0.39 -0.04 -1.26 -4.86 135.00 127.35 2kbi n PRO 1824Ca 0.13 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2kbi n PRO 1824Cb 0.50 -1.58 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2kbi n PRO 1824CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kbi h LEU 1825N 0.00 0.57-10.15 1.53 4.07 -1.88 -3.45 115.31 106.00 2kbi h LEU 1825Ca 0.00 -0.01 -0.54 0.00 0.08 0.00 0.00 57.88 57.40 2kbi h LEU 1825Cb 0.57 -0.14 0.16 0.00 1.08 0.00 0.00 40.66 42.33 2kbi h LEU 1825CO 0.00 0.41 0.44 0.00 -1.08 0.00 0.00 178.44 178.21 2kbi s ARG 1826N -6.15 2.28 -0.36 1.13 1.04 -0.82 -4.88 118.95 111.18 2kbi s ARG 1826Ca -0.13 1.89 0.03 0.00 -1.04 0.00 0.00 55.73 56.48 2kbi s ARG 1826Cb 0.12 -1.83 0.10 0.00 -2.04 0.00 0.00 34.95 31.30 2kbi s ARG 1826CO 0.74 -1.76 0.09 0.42 -0.04 0.00 0.00 175.30 174.75 2kbi s ILE 1827N -1.73 2.47 0.30 4.99 1.09 0.18 -4.81 121.20 123.68 2kbi s ILE 1827Ca 0.78 -2.36 -0.30 0.00 -1.10 0.00 0.00 60.65 57.66 2kbi s ILE 1827Cb -0.33 -2.79 -0.12 0.00 -1.06 0.00 0.00 42.46 38.16 2kbi s ILE 1827CO 0.43 -0.63 1.56 0.00 -0.10 0.00 0.00 174.94 176.20 2kbi n ALA 1828N 4.23 2.38 -1.71 9.38 0.00 -1.26 -3.83 120.51 129.70 2kbi n ALA 1828Ca 0.03 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.47 2kbi n ALA 1828Cb 0.41 -2.44 0.06 0.00 0.00 0.00 0.00 19.45 17.49 2kbi n ALA 1828CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kbi n LYS 1829N 1.95 1.15 -2.27 0.00 5.02 -1.26 -4.00 118.16 118.74 2kbi n LYS 1829Ca 0.08 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 2kbi n LYS 1829Cb 0.36 -2.47 -0.03 0.00 -0.02 0.00 0.00 35.03 32.87 2kbi n LYS 1829CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kbi s PRO 1830N -3.20 4.42 0.00 1.97 0.04 -1.26 -5.14 135.00 131.83 2kbi s PRO 1830Ca 0.80 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.83 2kbi s PRO 1830Cb -0.39 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2kbi s PRO 1830CO 0.42 -0.21 0.37 0.27 0.04 0.00 0.00 177.00 177.89 2kbi n ASN 1831N 2.68 0.73 -0.26 6.66 0.23 -1.26 -4.82 115.26 119.23 2kbi n ASN 1831Ca 0.06 -0.95 0.01 0.00 -0.53 0.00 0.00 54.58 53.17 2kbi n ASN 1831Cb 0.43 0.07 0.14 0.00 -2.08 0.00 0.00 39.78 38.34 2kbi n ASN 1831CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 2kbi h GLN 1832N 0.00 0.67 -0.16 -3.83 3.07 -1.95 0.06 115.11 112.98 2kbi h GLN 1832Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 2kbi h GLN 1832Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 2kbi h GLN 1832CO 0.00 0.45 0.02 0.82 0.09 0.00 0.00 178.83 180.21 2kbi h ILE 1833N 0.69 1.22 -0.53 1.86 2.04 -1.99 -1.19 117.51 119.62 2kbi h ILE 1833Ca 0.35 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.55 2kbi h ILE 1833Cb 0.31 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2kbi h ILE 1833CO -0.24 0.22 0.35 0.28 0.00 0.00 0.00 178.15 178.76 2kbi h SER 1834N 0.04 0.40 0.14 1.72 0.02 -1.69 -1.76 113.55 112.42 2kbi h SER 1834Ca 0.05 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 2kbi h SER 1834Cb 0.31 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.79 2kbi h SER 1834CO 0.00 0.26 -0.96 -0.07 -1.14 0.00 0.00 176.83 174.92 2kbi h LEU 1835N 0.46 0.61 -1.87 5.07 3.38 -0.95 -3.33 115.31 118.69 2kbi h LEU 1835Ca 0.23 -0.90 0.04 0.00 0.09 0.00 0.00 57.88 57.34 2kbi h LEU 1835Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kbi h LEU 1835CO -0.06 1.46 0.17 0.40 0.09 0.00 0.00 178.44 180.49 2kbi h ILE 1836N -0.13 0.97 0.00 1.22 2.04 -0.79 -1.16 117.51 119.65 2kbi h ILE 1836Ca -0.16 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.64 2kbi h ILE 1836Cb 1.72 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2kbi h ILE 1836CO 0.18 0.03 0.00 0.59 0.00 0.00 0.00 178.15 178.95 2kbi n ASN 1837N -4.49 0.00 -4.85 1.72 3.02 -0.70 -4.83 115.26 105.12 2kbi n ASN 1837Ca 0.02 0.42 -0.30 0.00 -0.03 0.00 0.00 54.58 54.69 2kbi n ASN 1837Cb 0.20 -0.46 0.08 0.00 -0.61 0.00 0.00 39.78 38.99 2kbi n ASN 1837CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kbi s MET 1838N -2.93 2.14 -0.02 3.52 -1.94 -0.44 -5.00 119.30 114.64 2kbi s MET 1838Ca 0.10 0.37 0.10 0.00 -1.71 0.00 0.00 55.69 54.56 2kbi s MET 1838Cb 0.12 -1.95 0.31 0.00 2.01 0.00 0.00 34.83 35.32 2kbi s MET 1838CO 0.32 -1.52 1.22 -3.47 -0.01 0.00 0.00 175.02 171.57 2kbi n ASP 1839N -3.32 2.01 -4.72 3.03 2.03 -1.26 -5.02 116.55 109.30 2kbi n ASP 1839Ca 0.07 -2.06 -0.41 0.00 0.52 0.00 0.00 54.79 52.91 2kbi n ASP 1839Cb 0.58 -0.28 0.01 0.00 -0.72 0.00 0.00 41.12 40.71 2kbi n ASP 1839CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kbi n LEU 1840N 0.46 4.18 -4.83 -2.67 4.77 -1.26 -5.02 117.00 112.63 2kbi n LEU 1840Ca 0.12 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.96 2kbi n LEU 1840Cb 0.34 -1.53 0.15 0.00 -2.33 0.00 0.00 43.42 40.05 2kbi n LEU 1840CO 0.09 -0.38 0.77 -2.16 -1.33 0.00 0.00 177.39 174.37 2kbi s PRO 1841N -2.13 0.90 -0.45 3.23 0.04 -1.26 -5.07 135.00 130.27 2kbi s PRO 1841Ca 0.58 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.65 2kbi s PRO 1841Cb -0.51 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.33 2kbi s PRO 1841CO 0.60 -2.30 0.24 -1.64 0.04 0.00 0.00 177.00 173.94 2kbi s MET 1842N -5.53 1.37 0.54 4.56 -1.94 -1.26 -4.55 119.30 112.49 2kbi s MET 1842Ca 0.67 -2.07 0.29 0.00 -1.71 0.00 0.00 55.69 52.87 2kbi s MET 1842Cb -0.10 -2.48 1.51 0.00 2.01 0.00 0.00 34.83 35.78 2kbi s MET 1842CO 0.53 -1.15 2.08 -0.39 -0.01 0.00 0.00 175.02 176.08 2kbi h VAL 1843N 5.32 0.46 0.00 -6.03 -1.51 -1.46 -3.12 116.25 109.92 2kbi h VAL 1843Ca -0.02 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2kbi h VAL 1843Cb 0.93 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2kbi h VAL 1843CO 0.51 0.10 0.00 -1.54 -1.23 0.00 0.00 177.57 175.41 2kbi n SER 1844N -3.54 0.20 0.00 4.19 3.41 -1.26 -5.03 113.62 111.59 2kbi n SER 1844Ca -0.02 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2kbi n SER 1844Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2kbi n SER 1844CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kbi n GLY 1845N -0.05 2.34 0.00 5.00 0.00 -1.18 -4.85 105.19 106.45 2kbi n GLY 1845Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kbi n GLY 1845CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbi n ASP 1846N 0.00 0.00 -4.40 1.61 8.00 -1.26 -5.00 116.55 115.50 2kbi n ASP 1846Ca 0.00 -0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.06 2kbi n ASP 1846Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kbi s ARG 1847N 0.00 1.45 -0.03 -1.24 0.52 -1.26 -1.29 118.95 117.10 2kbi s ARG 1847Ca 0.00 -1.53 0.03 0.00 -0.52 0.00 0.00 55.73 53.71 2kbi s ARG 1847Cb 0.00 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.85 2kbi s ARG 1847CO 0.00 0.33 -0.11 0.42 0.02 0.00 0.00 175.30 175.97 2kbi s ILE 1848N -2.00 0.90 0.26 1.52 1.09 -0.24 -0.98 121.20 121.74 2kbi s ILE 1848Ca 0.21 -0.43 -0.29 0.00 -1.10 0.00 0.00 60.65 59.03 2kbi s ILE 1848Cb -0.06 -0.79 -0.09 0.00 -1.06 0.00 0.00 42.46 40.46 2kbi s ILE 1848CO 0.09 0.27 1.20 -2.28 -0.10 0.00 0.00 174.94 174.13 2kbi s HIS 1849N 0.12 3.37 0.15 3.97 5.65 -1.26 -2.41 115.29 124.87 2kbi s HIS 1849Ca -0.02 1.50 -0.31 0.00 0.25 0.00 0.00 55.06 56.47 2kbi s HIS 1849Cb -0.09 -3.46 -0.06 0.00 -1.18 0.00 0.00 32.58 27.79 2kbi s HIS 1849CO 0.01 -1.22 1.55 0.00 -0.65 0.00 0.00 174.74 174.43 2kbi h MET 1851N -0.24 0.86 -0.48 0.00 1.85 -1.94 -2.37 114.93 112.61 2kbi h MET 1851Ca 0.13 -0.24 -0.06 0.00 -0.61 0.00 0.00 59.70 58.91 2kbi h MET 1851Cb 0.53 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.45 2kbi h MET 1851CO -0.73 0.86 0.05 -0.44 -0.40 0.00 0.00 176.91 176.26 2kbi h ASP 1852N 0.80 0.73 0.23 1.39 5.19 -1.89 0.34 116.42 123.21 2kbi h ASP 1852Ca 0.15 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2kbi h ASP 1852Cb 0.48 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2kbi h ASP 1852CO 0.02 0.76 -0.11 0.40 -3.12 0.00 0.00 179.24 177.19 2kbi h ILE 1853N 0.73 0.82 -0.47 0.35 2.04 -1.24 -1.34 117.51 118.40 2kbi h ILE 1853Ca 0.15 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.86 2kbi h ILE 1853Cb 0.37 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 2kbi h ILE 1853CO 0.01 0.05 -0.00 0.25 0.00 0.00 0.00 178.15 178.46 2kbi h LEU 1854N -0.43 -0.20 -0.01 1.44 5.85 -1.16 -1.75 115.31 119.06 2kbi h LEU 1854Ca -0.03 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2kbi h LEU 1854Cb 0.33 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2kbi h LEU 1854CO 0.05 -0.06 -0.05 0.15 -0.34 0.00 0.00 178.44 178.19 2kbi h PHE 1855N 0.11 -0.13 -0.94 1.25 3.57 -0.88 -0.56 116.94 119.36 2kbi h PHE 1855Ca 0.23 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2kbi h PHE 1855Cb 0.35 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 2kbi h PHE 1855CO -0.30 -0.08 0.62 0.00 -2.23 0.00 0.00 178.31 176.32 2kbi h ALA 1856N 0.92 1.21 0.21 2.41 0.00 -1.00 -1.24 119.26 121.77 2kbi h ALA 1856Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kbi h ALA 1856Cb 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2kbi h ALA 1856CO -0.06 0.56 -0.10 0.74 0.00 0.00 0.00 179.25 180.39 2kbi h PHE 1857N 1.25 -0.27 -0.04 0.00 -1.00 -1.14 -3.31 116.94 112.44 2kbi h PHE 1857Ca 0.35 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.06 2kbi h PHE 1857Cb -0.10 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2kbi h PHE 1857CO -0.01 0.07 -0.30 1.79 -1.61 0.00 0.00 178.31 178.25 2kbi h THR 1858N -0.63 1.23 -0.57 -1.55 1.35 -1.00 -2.95 112.91 108.79 2kbi h THR 1858Ca -0.03 -1.11 0.11 0.00 -0.55 0.00 0.00 66.41 64.83 2kbi h THR 1858Cb 0.46 1.54 -0.09 0.00 -1.73 0.00 0.00 68.15 68.33 2kbi h THR 1858CO 0.05 0.32 0.08 0.11 -0.25 0.00 0.00 175.52 175.83 2kbi h LYS 1859N 0.07 0.20 -0.31 4.72 1.57 -1.31 0.19 116.57 121.68 2kbi h LYS 1859Ca 0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2kbi h LYS 1859Cb 0.57 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2kbi h LYS 1859CO 0.04 0.13 -0.03 0.00 -0.57 0.00 0.00 179.45 179.02 2kbi h ARG 1860N 0.21 0.50 -0.03 3.15 3.08 -1.63 -1.00 114.38 118.65 2kbi h ARG 1860Ca 0.30 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2kbi h ARG 1860Cb 0.45 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2kbi h ARG 1860CO -0.42 0.55 -0.04 0.28 -1.07 0.00 0.00 179.97 179.27 2kbi h VAL 1861N 0.47 1.41 0.00 2.04 2.07 -1.43 -3.29 116.25 117.52 2kbi h VAL 1861Ca 0.10 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2kbi h VAL 1861Cb 0.36 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2kbi h VAL 1861CO 0.01 0.34 -0.13 -0.07 0.02 0.00 0.00 177.57 177.75 2kbi h LEU 1862N -0.42 0.00 0.81 2.57 3.38 -0.83 -3.47 115.31 117.34 2kbi h LEU 1862Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2kbi h LEU 1862Cb 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2kbi h LEU 1862CO 0.01 0.13 -0.19 0.61 0.09 0.00 0.00 178.44 179.09 2kbi n GLY 1863N -0.55 0.53 3.71 0.83 0.00 -0.40 -4.99 105.19 104.31 2kbi n GLY 1863Ca -0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 2kbi n GLY 1863CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kbi n GLU 1864N -2.29 2.67 0.00 1.61 4.07 -1.06 -5.05 120.64 120.58 2kbi n GLU 1864Ca -0.09 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 57.97 2kbi n GLU 1864Cb 0.43 -2.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.00 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50