#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbi n PRO -3 N 0.00 -2.23 0.00 1.61 -0.02 -1.26 -4.93 135.00 128.17 2kbi n PRO -3 Ca 0.00 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 2kbi n PRO -3 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2kbi n PRO -3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kbi n GLY -2 N 1.50 -2.48 3.20 -1.23 0.00 -1.26 -5.08 105.19 99.85 2kbi n GLY -2 Ca 0.01 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.72 0.17 0.94 1.61 0.15 -1.26 -5.18 113.70 107.41 2kbi s SER -1 Ca 0.00 -1.35 -0.14 0.00 0.70 0.00 0.00 55.95 55.16 2kbi s SER -1 Cb 0.00 0.37 0.16 0.00 -1.71 0.00 0.00 66.02 64.84 2kbi s SER -1 CO 0.00 -0.83 1.17 -1.61 1.20 0.00 0.00 173.24 173.17 2kbi s GLU 1773N -4.14 0.87 0.50 5.44 2.02 -1.26 -4.92 118.70 117.22 2kbi s GLU 1773Ca 0.36 0.10 0.23 0.00 0.02 0.00 0.00 54.97 55.69 2kbi s GLU 1773Cb 0.07 -1.83 1.31 0.00 0.10 0.00 0.00 34.13 33.78 2kbi s GLU 1773CO 0.10 -2.34 1.97 -0.97 0.02 0.00 0.00 175.26 174.04 2kbi h ASN 1774N -1.60 0.11 0.75 -0.19 -1.24 -2.07 -1.32 115.58 110.02 2kbi h ASN 1774Ca -0.48 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.53 2kbi h ASN 1774Cb 1.31 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.34 2kbi h ASN 1774CO 0.55 0.06 0.00 0.49 -1.29 0.00 0.00 177.43 177.24 2kbi n PHE 1775N -4.40 0.00 -3.71 0.67 3.72 -1.26 -4.97 117.46 107.50 2kbi n PHE 1775Ca 0.12 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.25 2kbi n PHE 1775Cb 0.61 -0.47 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 2kbi n PHE 1775CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2kbi n SER 1776N -1.47 -3.37 0.00 4.37 3.41 -0.50 -4.86 113.62 111.19 2kbi n SER 1776Ca 0.06 -0.85 0.07 0.00 -0.26 0.00 0.00 58.87 57.89 2kbi n SER 1776Cb 0.26 -1.19 0.33 0.00 -0.26 0.00 0.00 64.21 63.35 2kbi n SER 1776CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2kbi n VAL 1777N -2.97 0.82 -0.83 -3.33 0.24 -1.26 -4.84 118.33 106.15 2kbi n VAL 1777Ca -0.18 0.20 -0.29 0.00 -2.04 0.00 0.00 64.34 62.04 2kbi n VAL 1777Cb 0.48 -0.96 0.21 0.00 -1.47 0.00 0.00 33.84 32.10 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbi s ALA 1778N -2.79 0.35 -1.15 2.33 0.00 -1.26 -4.91 121.76 114.33 2kbi s ALA 1778Ca 0.10 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2kbi s ALA 1778Cb 0.09 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2kbi s ALA 1778CO 0.24 -3.28 1.92 2.41 0.00 0.00 0.00 175.76 177.05 2kbi n THR 1779N -4.52 2.59 0.22 0.00 -1.04 -1.26 -4.77 114.28 105.49 2kbi n THR 1779Ca 0.05 -2.56 0.10 0.00 -2.04 0.00 0.00 64.05 59.60 2kbi n THR 1779Cb 0.55 -2.30 0.40 0.00 -1.82 0.00 0.00 70.33 67.16 2kbi n THR 1779CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kbi h GLU 1780N 8.33 0.00 -5.58 -2.82 4.57 -1.91 -3.45 114.58 113.72 2kbi h GLU 1780Ca 0.36 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 58.10 2kbi h GLU 1780Cb 0.83 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.23 2kbi h GLU 1780CO 1.53 0.20 -0.77 -1.21 -1.18 0.00 0.00 179.01 177.58 2kbi s GLU 1781N -3.51 1.07 0.24 1.92 2.02 -1.26 -5.17 118.70 114.01 2kbi s GLU 1781Ca 0.02 -1.25 0.01 0.00 0.02 0.00 0.00 54.97 53.77 2kbi s GLU 1781Cb 0.09 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.26 2kbi s GLU 1781CO 0.64 0.20 0.19 -1.12 0.02 0.00 0.00 175.26 175.19 2kbi s SER 1782N -2.41 0.60 -0.30 -0.19 0.01 -1.26 -5.09 113.70 105.06 2kbi s SER 1782Ca 0.09 -1.49 0.09 0.00 1.31 0.00 0.00 55.95 55.95 2kbi s SER 1782Cb -0.06 0.44 0.52 0.00 0.21 0.00 0.00 66.02 67.13 2kbi s SER 1782CO 0.04 -0.92 1.50 0.35 0.41 0.00 0.00 173.24 174.61 2kbi n THR 1783N -0.38 2.59 -1.63 1.44 -2.24 -1.26 -5.08 114.28 107.73 2kbi n THR 1783Ca 0.03 -2.66 -0.39 0.00 -2.27 0.00 0.00 64.05 58.76 2kbi n THR 1783Cb 0.65 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2kbi n THR 1783CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kbi n GLU 1784N -1.10 1.21 0.00 -0.78 1.02 -1.26 -4.93 120.64 114.81 2kbi n GLU 1784Ca 0.35 0.45 0.15 0.00 -0.02 0.00 0.00 57.16 58.08 2kbi n GLU 1784Cb 1.08 -2.16 0.79 0.00 -0.02 0.00 0.00 31.44 31.13 2kbi n GLU 1784CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kbi n PRO 1785N -0.44 0.55 -4.35 3.49 -0.04 -1.26 -4.84 135.00 128.11 2kbi n PRO 1785Ca 0.11 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 2kbi n PRO 1785Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.43 2.45 0.29 1.53 1.43 -1.26 -5.07 118.68 115.63 2kbi s LEU 1786Ca 0.33 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2kbi s LEU 1786Cb 0.20 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 2kbi s LEU 1786CO 0.43 -0.03 0.30 -0.55 0.23 0.00 0.00 176.35 176.72 2kbi s SER 1787N -2.76 1.01 0.39 2.29 0.15 -1.26 -5.07 113.70 108.45 2kbi s SER 1787Ca 0.17 -1.55 0.12 0.00 0.70 0.00 0.00 55.95 55.39 2kbi s SER 1787Cb -0.05 0.54 0.93 0.00 -1.71 0.00 0.00 66.02 65.72 2kbi s SER 1787CO 0.07 -1.06 1.92 -0.08 1.20 0.00 0.00 173.24 175.28 2kbi h GLU 1788N 2.26 0.54 -0.11 5.44 4.81 -2.02 -2.03 114.58 123.47 2kbi h GLU 1788Ca -0.29 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2kbi h GLU 1788Cb 1.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2kbi h GLU 1788CO 0.41 0.36 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.56 2kbi h ASP 1789N 0.56 0.15 -0.24 1.04 3.32 -1.98 -0.84 116.42 118.43 2kbi h ASP 1789Ca 0.37 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 2kbi h ASP 1789Cb 0.68 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 2kbi h ASP 1789CO -0.14 0.22 -0.23 0.44 -1.72 0.00 0.00 179.24 177.82 2kbi h ASP 1790N 0.16 0.62 -0.40 6.45 3.32 -1.78 -1.14 116.42 123.64 2kbi h ASP 1790Ca 0.04 -0.47 -0.12 0.00 0.02 0.00 0.00 57.03 56.50 2kbi h ASP 1790Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2kbi h ASP 1790CO 0.01 0.96 -0.23 -0.26 -1.72 0.00 0.00 179.24 178.00 2kbi h PHE 1791N 0.29 1.01 -0.62 4.55 0.04 -1.56 -1.27 116.94 119.37 2kbi h PHE 1791Ca 0.04 -0.26 0.01 0.00 2.80 0.00 0.00 57.97 60.56 2kbi h PHE 1791Cb 0.78 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2kbi h PHE 1791CO 0.07 1.04 0.40 0.22 -0.60 0.00 0.00 178.31 179.45 2kbi h ASP 1792N 0.68 0.69 -0.41 2.17 3.58 -1.17 -0.75 116.42 121.21 2kbi h ASP 1792Ca 0.09 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.54 2kbi h ASP 1792Cb 0.79 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2kbi h ASP 1792CO 0.07 0.49 0.25 -0.03 -2.88 0.00 0.00 179.24 177.14 2kbi h MET 1793N 0.82 0.49 -0.03 0.28 4.05 -1.15 -0.85 114.93 118.55 2kbi h MET 1793Ca 0.23 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.66 2kbi h MET 1793Cb -0.06 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.59 2kbi h MET 1793CO -0.07 0.32 -0.18 0.35 0.23 0.00 0.00 176.91 177.57 2kbi h PHE 1794N 0.51 -0.48 -0.74 1.39 3.04 -0.85 -2.16 116.94 117.64 2kbi h PHE 1794Ca 0.16 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 2kbi h PHE 1794Cb -0.01 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 2kbi h PHE 1794CO -0.07 -0.26 0.39 1.88 -2.02 0.00 0.00 178.31 178.23 2kbi h TYR 1795N -0.29 1.04 -0.47 0.41 0.05 -1.01 0.02 116.97 116.72 2kbi h TYR 1795Ca 0.06 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.82 2kbi h TYR 1795Cb 0.37 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 2kbi h TYR 1795CO -0.25 0.75 0.31 1.49 -1.05 0.00 0.00 178.16 179.41 2kbi h GLU 1796N 1.03 0.60 -0.03 4.88 4.81 -1.02 -2.92 114.58 121.94 2kbi h GLU 1796Ca 0.26 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.27 2kbi h GLU 1796Cb 0.07 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2kbi h GLU 1796CO -0.04 0.40 -0.79 0.82 -0.73 0.00 0.00 179.01 178.67 2kbi h ILE 1797N 0.62 1.44 -0.63 2.32 1.08 -1.27 -3.33 117.51 117.75 2kbi h ILE 1797Ca 0.18 -2.38 0.08 0.00 -0.39 0.00 0.00 64.86 62.35 2kbi h ILE 1797Cb -0.05 2.30 -0.07 0.00 -3.07 0.00 0.00 36.82 35.93 2kbi h ILE 1797CO -0.05 0.70 0.28 -0.25 -0.69 0.00 0.00 178.15 178.14 2kbi h TRP 1798N 0.16 0.50 -0.01 1.37 2.91 -0.80 -2.07 115.95 118.02 2kbi h TRP 1798Ca -0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2kbi h TRP 1798Cb 1.39 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2kbi h TRP 1798CO 0.03 0.18 0.04 0.93 -1.03 0.00 0.00 178.44 178.59 2kbi h GLU 1799N 0.50 0.00 0.00 2.65 5.08 -1.64 -0.50 114.58 120.67 2kbi h GLU 1799Ca 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2kbi h GLU 1799Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2kbi h GLU 1799CO -0.26 0.00 -0.10 0.87 -1.00 0.00 0.00 179.01 178.52 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.56 -3.05 116.57 115.86 2kbi h LYS 1800Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kbi h LYS 1800Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2kbi h LYS 1800CO -0.00 0.10 -1.13 1.19 -0.57 0.00 0.00 179.45 179.04 2kbi n PHE 1801N -3.22 0.00 -3.51 -1.35 3.72 -0.62 -4.75 117.46 107.74 2kbi n PHE 1801Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.14 2kbi n PHE 1801Cb 0.38 -0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 2kbi n PHE 1801CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kbi n ASP 1802N -1.63 3.20 0.19 4.37 2.03 -0.29 -4.91 116.55 119.51 2kbi n ASP 1802Ca -0.01 -3.31 0.14 0.00 0.52 0.00 0.00 54.79 52.14 2kbi n ASP 1802Cb 0.16 -0.68 0.55 0.00 -0.72 0.00 0.00 41.12 40.42 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 4.46 0.00 0.00 -0.67 0.13 -1.81 -2.72 132.00 131.39 2kbi h PRO 1803Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2kbi h PRO 1803Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2kbi h PRO 1803CO 0.77 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.93 2kbi n GLU 1804N -2.62 0.17 -1.90 0.86 1.02 -1.26 -4.93 120.64 111.97 2kbi n GLU 1804Ca 0.02 0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 2kbi n GLU 1804Cb 0.29 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2kbi n GLU 1804CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kbi n ALA 1805N -1.70 -0.48 0.47 0.62 0.00 -1.03 -4.89 120.51 113.50 2kbi n ALA 1805Ca 0.04 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.72 2kbi n ALA 1805Cb 0.31 -1.44 0.36 0.00 0.00 0.00 0.00 19.45 18.67 2kbi n ALA 1805CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbi n THR 1806N -2.62 0.97 -1.12 0.00 5.66 -1.26 -4.89 114.28 111.02 2kbi n THR 1806Ca -0.14 0.25 -0.04 0.00 -3.05 0.00 0.00 64.05 61.07 2kbi n THR 1806Cb 0.51 -1.05 -0.02 0.00 -1.55 0.00 0.00 70.33 68.23 2kbi n THR 1806CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kbi n GLN 1807N -1.70 -0.58 -4.15 1.09 1.13 -1.26 -5.04 117.38 106.88 2kbi n GLN 1807Ca 0.03 0.50 -0.17 0.00 -1.94 0.00 0.00 57.00 55.42 2kbi n GLN 1807Cb 0.18 -4.18 -0.12 0.00 0.11 0.00 0.00 30.24 26.24 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 -2.00 1.04 0.21 1.08 0.08 -1.26 -1.27 117.98 115.85 2kbi s PHE 1808Ca 0.00 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.61 2kbi s PHE 1808Cb 0.00 -0.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 2kbi s PHE 1808CO 0.00 0.01 0.03 0.96 -0.10 0.00 0.00 175.22 176.12 2kbi s ILE 1809N -1.26 0.71 0.37 0.64 -4.36 -0.76 -4.80 121.20 111.74 2kbi s ILE 1809Ca -0.04 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.22 2kbi s ILE 1809Cb -0.10 -2.29 -0.08 0.00 1.25 0.00 0.00 42.46 41.24 2kbi s ILE 1809CO 0.02 -0.32 0.76 -1.61 0.24 0.00 0.00 174.94 174.02 2kbi s GLU 1810N -3.94 3.91 0.48 0.37 2.02 -1.26 -0.86 118.70 119.41 2kbi s GLU 1810Ca 0.28 0.60 0.13 0.00 0.02 0.00 0.00 54.97 56.01 2kbi s GLU 1810Cb 0.06 -2.40 1.12 0.00 0.10 0.00 0.00 34.13 33.01 2kbi s GLU 1810CO 0.07 0.06 2.10 -0.92 0.02 0.00 0.00 175.26 176.59 2kbi h TYR 1811N 1.77 0.21 0.00 1.61 3.20 -1.59 -1.29 116.97 120.89 2kbi h TYR 1811Ca -0.48 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2kbi h TYR 1811Cb 1.18 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kbi h TYR 1811CO 0.61 0.13 0.00 0.77 -1.64 0.00 0.00 178.16 178.03 2kbi h SER 1812N 0.22 0.00 0.00 -2.11 0.02 -1.94 -3.05 113.55 106.69 2kbi h SER 1812Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2kbi h SER 1812Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2kbi h SER 1812CO -0.02 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.00 2kbi n VAL 1813N -2.37 0.00 -0.23 2.27 0.24 -0.59 -4.70 118.33 112.96 2kbi n VAL 1813Ca -0.01 -0.41 0.02 0.00 -2.04 0.00 0.00 64.34 61.91 2kbi n VAL 1813Cb 0.10 1.03 0.26 0.00 -1.47 0.00 0.00 33.84 33.77 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 0.84 -1.16 1.34 6.46 -1.17 -0.39 115.31 121.23 2kbi h LEU 1814Ca 0.00 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 2kbi h LEU 1814Cb 0.01 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 2kbi h LEU 1814CO 0.00 0.58 -0.38 0.77 -0.62 0.00 0.00 178.44 178.79 2kbi h SER 1815N 0.97 0.07 -0.04 1.25 4.64 -1.84 0.69 113.55 119.30 2kbi h SER 1815Ca 0.30 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 2kbi h SER 1815Cb 0.01 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2kbi h SER 1815CO -0.08 0.45 -0.35 0.44 -0.87 0.00 0.00 176.83 176.41 2kbi h ASP 1816N 0.06 0.38 -0.22 4.97 3.32 -1.74 -3.21 116.42 119.98 2kbi h ASP 1816Ca 0.00 -0.70 0.04 0.00 0.02 0.00 0.00 57.03 56.39 2kbi h ASP 1816Cb 0.71 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2kbi h ASP 1816CO 0.05 1.02 -0.02 0.15 -1.72 0.00 0.00 179.24 178.72 2kbi h PHE 1817N -0.23 -0.05 -0.51 4.55 3.57 -0.89 -1.77 116.94 121.60 2kbi h PHE 1817Ca -0.03 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.63 2kbi h PHE 1817Cb 1.04 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2kbi h PHE 1817CO 0.14 -0.06 0.39 0.00 -2.23 0.00 0.00 178.31 176.56 2kbi h ALA 1818N 1.20 2.44 -0.02 2.41 0.00 -0.98 -1.35 119.26 122.95 2kbi h ALA 1818Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kbi h ALA 1818Cb 0.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kbi h ALA 1818CO -0.19 -0.65 -0.30 -3.47 0.00 0.00 0.00 179.25 174.63 2kbi n ASP 1819N -4.27 2.15 0.07 0.00 2.03 -0.92 -1.17 116.55 114.43 2kbi n ASP 1819Ca 0.09 -1.58 0.11 0.00 0.52 0.00 0.00 54.79 53.94 2kbi n ASP 1819Cb 0.61 0.29 -0.01 0.00 -0.72 0.00 0.00 41.12 41.29 2kbi n ASP 1819CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbi n ALA 1820N 0.28 2.78 -1.47 -1.67 0.00 -0.52 -4.97 120.51 114.94 2kbi n ALA 1820Ca 0.11 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.94 2kbi n ALA 1820Cb 0.48 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 19.00 2kbi n ALA 1820CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kbi s LEU 1821N -4.83 2.58 0.49 0.00 1.43 -1.19 -5.01 118.68 112.15 2kbi s LEU 1821Ca -0.00 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2kbi s LEU 1821Cb 0.12 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 2kbi s LEU 1821CO 0.81 -2.07 0.82 -0.44 0.23 0.00 0.00 176.35 175.70 2kbi s SER 1822N -3.78 6.30 0.71 2.29 0.01 -1.26 -4.63 113.70 113.34 2kbi s SER 1822Ca 0.61 1.04 -0.16 0.00 1.31 0.00 0.00 55.95 58.75 2kbi s SER 1822Cb -0.15 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2kbi s SER 1822CO 0.55 -0.60 1.25 -1.61 0.41 0.00 0.00 173.24 173.24 2kbi s GLU 1823N -4.67 2.22 0.00 12.44 2.02 -1.26 -1.86 118.70 127.58 2kbi s GLU 1823Ca 0.49 1.92 0.28 0.00 0.02 0.00 0.00 54.97 57.68 2kbi s GLU 1823Cb -0.10 -1.82 1.05 0.00 0.10 0.00 0.00 34.13 33.36 2kbi s GLU 1823CO 0.44 -1.81 1.78 -0.35 0.02 0.00 0.00 175.26 175.34 2kbi n PRO 1824N -2.44 0.21 0.22 0.39 -0.04 -1.26 -4.82 135.00 127.27 2kbi n PRO 1824Ca 0.15 -0.06 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2kbi n PRO 1824Cb 0.49 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.16 0.00 -9.39 1.53 3.38 -1.90 -3.45 115.31 105.64 2kbi h LEU 1825Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2kbi h LEU 1825Cb 0.45 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.27 2kbi h LEU 1825CO 0.00 0.24 0.49 -1.14 0.09 0.00 0.00 178.44 178.12 2kbi n ARG 1826N -3.51 1.51 -3.96 1.13 3.00 -0.78 -4.98 116.66 109.07 2kbi n ARG 1826Ca -0.01 0.54 -0.31 0.00 -0.00 0.00 0.00 57.85 58.08 2kbi n ARG 1826Cb 0.40 -2.16 -0.14 0.00 0.00 0.00 0.00 32.46 30.55 2kbi n ARG 1826CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kbi s ILE 1827N 0.25 2.56 0.39 5.15 1.09 -0.32 -4.87 121.20 125.45 2kbi s ILE 1827Ca 0.77 -2.94 -0.27 0.00 -1.10 0.00 0.00 60.65 57.10 2kbi s ILE 1827Cb -0.81 -2.81 -0.10 0.00 -1.06 0.00 0.00 42.46 37.68 2kbi s ILE 1827CO 0.47 -0.73 1.42 0.00 -0.10 0.00 0.00 174.94 176.00 2kbi s ALA 1828N 0.16 3.45 0.68 9.38 0.00 -1.26 -3.89 121.76 130.28 2kbi s ALA 1828Ca 0.15 1.46 -0.16 0.00 0.00 0.00 0.00 51.96 53.40 2kbi s ALA 1828Cb -0.23 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.33 2kbi s ALA 1828CO -0.03 -0.99 1.21 0.15 0.00 0.00 0.00 175.76 176.10 2kbi s LYS 1829N -2.14 2.44 0.03 0.00 1.02 -1.26 -4.06 119.74 115.76 2kbi s LYS 1829Ca 0.54 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 58.01 2kbi s LYS 1829Cb -0.44 -1.87 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 2kbi s LYS 1829CO 0.58 -1.61 1.38 -1.25 -0.92 0.00 0.00 175.35 173.53 2kbi s PRO 1830N -3.73 4.30 0.00 -1.68 0.04 -1.26 -5.13 135.00 127.54 2kbi s PRO 1830Ca 0.75 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.77 2kbi s PRO 1830Cb -0.30 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2kbi s PRO 1830CO 0.41 -0.52 0.32 0.27 0.04 0.00 0.00 177.00 177.52 2kbi n ASN 1831N 4.95 0.63 -0.05 6.66 0.23 -1.26 -4.79 115.26 121.64 2kbi n ASN 1831Ca 0.12 -0.82 -0.08 0.00 -0.53 0.00 0.00 54.58 53.28 2kbi n ASN 1831Cb 0.44 0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 38.55 2kbi n ASN 1831CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2kbi h GLN 1832N 0.10 -0.14 0.00 -3.83 4.15 -1.94 -1.02 115.11 112.43 2kbi h GLN 1832Ca 0.00 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2kbi h GLN 1832Cb 0.03 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2kbi h GLN 1832CO 0.00 -0.09 -0.19 0.82 -1.93 0.00 0.00 178.83 177.44 2kbi h ILE 1833N -0.14 1.12 -0.18 2.39 1.08 -1.99 -1.12 117.51 118.67 2kbi h ILE 1833Ca 0.14 -0.66 -0.21 0.00 -0.39 0.00 0.00 64.86 63.74 2kbi h ILE 1833Cb 0.35 1.36 0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2kbi h ILE 1833CO -0.33 0.19 -0.72 -1.28 -0.69 0.00 0.00 178.15 175.32 2kbi h SER 1834N 0.00 0.91 -0.62 1.72 0.87 -1.63 -2.15 113.55 112.66 2kbi h SER 1834Ca -0.00 -0.57 -0.07 0.00 -1.23 0.00 0.00 61.79 59.92 2kbi h SER 1834Cb 0.34 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2kbi h SER 1834CO 0.02 1.36 0.11 -0.07 -0.53 0.00 0.00 176.83 177.73 2kbi h LEU 1835N 0.55 0.97 -1.65 2.23 3.38 -0.87 -3.00 115.31 116.92 2kbi h LEU 1835Ca -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2kbi h LEU 1835Cb 1.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2kbi h LEU 1835CO 0.15 0.98 0.12 0.40 0.09 0.00 0.00 178.44 180.17 2kbi h ILE 1836N 0.92 1.09 0.00 1.22 2.04 -1.12 -1.40 117.51 120.27 2kbi h ILE 1836Ca 0.19 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kbi h ILE 1836Cb 0.41 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2kbi h ILE 1836CO 0.01 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.86 2kbi n ASN 1837N -4.45 0.21 -4.82 1.72 3.02 -0.82 -4.83 115.26 105.29 2kbi n ASN 1837Ca 0.01 0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 54.81 2kbi n ASN 1837Cb 0.11 -0.59 0.10 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.07 1.84 -0.13 3.52 -1.94 -0.53 -5.01 119.30 113.99 2kbi s MET 1838Ca 0.08 0.00 0.11 0.00 -1.71 0.00 0.00 55.69 54.18 2kbi s MET 1838Cb 0.12 -1.97 0.54 0.00 2.01 0.00 0.00 34.83 35.53 2kbi s MET 1838CO 0.38 -1.65 1.36 -3.47 -0.01 0.00 0.00 175.02 171.64 2kbi n ASP 1839N -3.32 3.90 -4.68 3.03 2.03 -1.26 -5.01 116.55 111.23 2kbi n ASP 1839Ca 0.09 -2.49 -0.53 0.00 0.52 0.00 0.00 54.79 52.38 2kbi n ASP 1839Cb 0.61 -0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.56 2.68 -4.81 -2.67 4.77 -1.26 -5.00 117.00 111.28 2kbi n LEU 1840Ca 0.19 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.92 2kbi n LEU 1840Cb 0.79 -1.24 0.17 0.00 -2.33 0.00 0.00 43.42 40.82 2kbi n LEU 1840CO 0.20 -0.38 0.76 -2.16 -1.33 0.00 0.00 177.39 174.48 2kbi s PRO 1841N 3.16 0.51 -0.20 3.23 0.04 -1.26 -5.09 135.00 135.38 2kbi s PRO 1841Ca 0.94 -0.06 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 2kbi s PRO 1841Cb -0.91 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 31.89 2kbi s PRO 1841CO 0.57 -2.56 0.03 -1.64 0.04 0.00 0.00 177.00 173.44 2kbi s MET 1842N -5.56 0.75 0.40 4.56 -1.94 -1.26 -4.65 119.30 111.60 2kbi s MET 1842Ca 0.69 -0.50 0.28 0.00 -1.71 0.00 0.00 55.69 54.45 2kbi s MET 1842Cb -0.09 -2.16 1.05 0.00 2.01 0.00 0.00 34.83 35.64 2kbi s MET 1842CO 0.53 -0.65 1.82 -0.39 -0.01 0.00 0.00 175.02 176.33 2kbi h VAL 1843N 6.53 0.00 0.00 -6.03 -1.51 -1.45 -3.39 116.25 110.40 2kbi h VAL 1843Ca -0.16 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2kbi h VAL 1843Cb 1.11 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.65 2kbi h VAL 1843CO 0.35 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.45 2kbi n SER 1844N -2.71 0.00 0.00 4.19 2.88 -1.26 -5.07 113.62 111.65 2kbi n SER 1844Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2kbi n SER 1844Cb 0.32 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2kbi n SER 1844CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kbi n GLY 1845N 1.05 0.03 0.00 0.46 0.00 -1.26 -5.01 105.19 100.46 2kbi n GLY 1845Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.47 0.08 -4.32 1.61 8.00 -1.26 -4.97 116.55 115.21 2kbi n ASP 1846Ca 0.00 -1.03 -0.26 0.00 0.71 0.00 0.00 54.79 54.21 2kbi n ASP 1846Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.03 1.29 -0.02 -1.24 0.52 -1.26 -1.35 118.95 116.87 2kbi s ARG 1847Ca 0.00 -1.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2kbi s ARG 1847Cb 0.00 -1.60 0.02 0.00 0.52 0.00 0.00 34.95 33.89 2kbi s ARG 1847CO 0.00 0.38 0.01 0.42 0.02 0.00 0.00 175.30 176.14 2kbi s ILE 1848N -1.05 0.02 0.32 1.52 1.09 -0.04 -0.97 121.20 122.10 2kbi s ILE 1848Ca 0.09 0.11 -0.27 0.00 -1.10 0.00 0.00 60.65 59.48 2kbi s ILE 1848Cb -0.10 -0.11 -0.09 0.00 -1.06 0.00 0.00 42.46 41.10 2kbi s ILE 1848CO 0.04 0.08 1.05 -2.28 -0.10 0.00 0.00 174.94 173.73 2kbi s HIS 1849N 0.70 3.51 0.15 3.97 5.65 -1.26 -1.82 115.29 126.19 2kbi s HIS 1849Ca -0.06 1.71 -0.18 0.00 0.25 0.00 0.00 55.06 56.78 2kbi s HIS 1849Cb -0.09 -3.17 0.06 0.00 -1.18 0.00 0.00 32.58 28.20 2kbi s HIS 1849CO -0.02 -0.43 1.69 0.00 -0.65 0.00 0.00 174.74 175.33 2kbi h MET 1851N 0.03 0.14 -0.12 0.00 2.86 -1.95 -1.12 114.93 114.77 2kbi h MET 1851Ca 0.16 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.57 2kbi h MET 1851Cb 0.24 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2kbi h MET 1851CO -0.32 0.53 -0.65 -0.44 1.06 0.00 0.00 176.91 177.09 2kbi h ASP 1852N 0.11 0.54 0.11 1.22 5.19 -1.90 0.30 116.42 121.99 2kbi h ASP 1852Ca 0.01 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2kbi h ASP 1852Cb 0.78 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.14 2kbi h ASP 1852CO 0.06 1.04 -0.05 0.40 -3.12 0.00 0.00 179.24 177.57 2kbi h ILE 1853N 0.34 1.01 -0.54 0.35 2.04 -1.23 -1.77 117.51 117.70 2kbi h ILE 1853Ca -0.01 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.47 2kbi h ILE 1853Cb 1.20 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 2kbi h ILE 1853CO 0.11 0.11 0.18 0.25 0.00 0.00 0.00 178.15 178.81 2kbi h LEU 1854N -0.36 0.16 0.07 1.44 5.85 -1.15 -1.30 115.31 120.02 2kbi h LEU 1854Ca -0.02 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2kbi h LEU 1854Cb 0.30 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2kbi h LEU 1854CO 0.02 0.11 -0.06 0.15 -0.34 0.00 0.00 178.44 178.33 2kbi h PHE 1855N 0.35 -0.15 -0.92 1.25 3.57 -0.92 -0.08 116.94 120.04 2kbi h PHE 1855Ca 0.27 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.83 2kbi h PHE 1855Cb 0.32 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 2kbi h PHE 1855CO -0.18 -0.09 0.58 0.00 -2.23 0.00 0.00 178.31 176.39 2kbi h ALA 1856N 0.79 1.28 0.22 2.41 0.00 -1.03 -1.68 119.26 121.25 2kbi h ALA 1856Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2kbi h ALA 1856Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kbi h ALA 1856CO -0.01 0.35 -0.11 0.74 0.00 0.00 0.00 179.25 180.22 2kbi h PHE 1857N 1.06 -0.27 -0.00 0.00 -1.00 -1.07 -3.34 116.94 112.32 2kbi h PHE 1857Ca 0.40 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 61.12 2kbi h PHE 1857Cb 0.17 0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2kbi h PHE 1857CO -0.02 0.10 -0.25 1.79 -1.61 0.00 0.00 178.31 178.32 2kbi h THR 1858N -0.73 1.18 -0.73 -1.55 1.35 -0.89 -2.67 112.91 108.87 2kbi h THR 1858Ca -0.03 -0.85 0.13 0.00 -0.55 0.00 0.00 66.41 65.11 2kbi h THR 1858Cb 0.49 1.46 -0.09 0.00 -1.73 0.00 0.00 68.15 68.28 2kbi h THR 1858CO 0.05 0.24 0.28 0.11 -0.25 0.00 0.00 175.52 175.95 2kbi h LYS 1859N 0.00 0.41 -0.69 4.72 1.57 -1.42 -1.04 116.57 120.12 2kbi h LYS 1859Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2kbi h LYS 1859Cb 0.44 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2kbi h LYS 1859CO 0.03 0.27 0.25 0.00 -0.57 0.00 0.00 179.45 179.44 2kbi h ARG 1860N 0.43 1.03 -0.48 3.15 3.08 -1.61 0.26 114.38 120.23 2kbi h ARG 1860Ca 0.39 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 2kbi h ARG 1860Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2kbi h ARG 1860CO -0.39 0.85 0.04 0.28 -1.07 0.00 0.00 179.97 179.68 2kbi h VAL 1861N 1.00 1.26 0.00 2.04 2.07 -1.44 -2.93 116.25 118.24 2kbi h VAL 1861Ca 0.23 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2kbi h VAL 1861Cb 0.22 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2kbi h VAL 1861CO -0.02 0.35 0.00 0.18 0.02 0.00 0.00 177.57 178.10 2kbi n LEU 1862N -4.39 0.00 0.00 2.57 4.77 -0.46 -4.92 117.00 114.58 2kbi n LEU 1862Ca 0.01 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2kbi n LEU 1862Cb 0.28 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2kbi n LEU 1862CO 0.41 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2kbi n GLY 1863N 0.51 0.56 0.56 -0.72 0.00 -0.59 -4.96 105.19 100.55 2kbi n GLY 1863Ca 0.05 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2kbi n GLY 1863CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kbi n GLU 1864N -2.81 1.71 0.00 1.61 1.02 -0.02 -4.99 120.64 117.16 2kbi n GLU 1864Ca 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 2kbi n GLU 1864Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74