#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 -2.09 -2.91 132.00 128.72 2kbi h PRO -3 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kbi h PRO -3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kbi h PRO -3 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2kbi n GLY -2 N -1.62 2.07 3.65 -0.55 0.00 -1.26 -5.08 105.19 102.41 2kbi n GLY -2 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2kbi n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kbi s SER -1 N -0.83 6.36 0.33 1.61 0.01 -1.10 -4.79 113.70 115.28 2kbi s SER -1 Ca 0.00 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.81 2kbi s SER -1 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kbi s SER -1 CO 0.00 -1.14 0.00 1.21 0.41 0.00 0.00 173.24 173.72 2kbi n GLU 1773N 7.65 0.00 -4.16 12.44 2.13 -1.26 -4.91 120.64 132.52 2kbi n GLU 1773Ca 0.21 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.93 2kbi n GLU 1773Cb 0.42 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.03 2kbi n GLU 1773CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2kbi s ASN 1774N -4.48 0.73 0.00 4.31 2.20 -1.26 -5.09 114.94 111.35 2kbi s ASN 1774Ca 0.00 -1.11 0.00 0.00 -0.94 0.00 0.00 52.86 50.81 2kbi s ASN 1774Cb 0.00 0.19 0.00 0.00 -2.00 0.00 0.00 41.25 39.44 2kbi s ASN 1774CO 0.00 -0.61 0.38 0.49 -2.94 0.00 0.00 177.10 174.42 2kbi n PHE 1775N -0.07 0.00 -1.12 1.54 3.72 -1.26 -5.11 117.46 115.15 2kbi n PHE 1775Ca -0.09 -0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 56.95 2kbi n PHE 1775Cb 0.62 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 39.30 2kbi n PHE 1775CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kbi s SER 1776N -0.13 3.39 0.26 4.37 1.04 -1.26 -4.98 113.70 116.39 2kbi s SER 1776Ca 0.00 1.60 0.26 0.00 0.48 0.00 0.00 55.95 58.28 2kbi s SER 1776Cb 0.00 -2.26 0.82 0.00 0.10 0.00 0.00 66.02 64.68 2kbi s SER 1776CO 0.00 -2.71 1.75 -0.37 0.98 0.00 0.00 173.24 172.90 2kbi h VAL 1777N -1.60 0.00 -2.80 5.02 -1.51 -2.06 -3.44 116.25 109.86 2kbi h VAL 1777Ca -0.49 -0.48 -0.15 0.00 -1.23 0.00 0.00 66.70 64.34 2kbi h VAL 1777Cb 1.28 1.43 -0.28 0.00 -2.13 0.00 0.00 31.29 31.58 2kbi h VAL 1777CO 0.53 0.00 -0.40 0.00 -1.23 0.00 0.00 177.57 176.47 2kbi s ALA 1778N -3.18 -0.82 0.43 5.19 0.00 -1.26 -5.06 121.76 117.06 2kbi s ALA 1778Ca 0.09 1.27 0.33 0.00 0.00 0.00 0.00 51.96 53.64 2kbi s ALA 1778Cb 0.11 -0.86 1.69 0.00 0.00 0.00 0.00 23.12 24.06 2kbi s ALA 1778CO 0.56 -0.32 2.14 0.00 0.00 0.00 0.00 175.76 178.14 2kbi h THR 1779N 5.80 0.34 0.00 0.00 1.03 -2.03 -3.14 112.91 114.91 2kbi h THR 1779Ca -0.34 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 2kbi h THR 1779Cb 1.16 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 69.51 2kbi h THR 1779CO 0.29 0.06 0.00 1.05 -0.01 0.00 0.00 175.52 176.92 2kbi h GLU 1780N 0.00 0.00 0.00 0.00 4.11 -1.97 -3.19 114.58 113.54 2kbi h GLU 1780Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kbi h GLU 1780Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kbi h GLU 1780CO 0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.48 2kbi n GLU 1781N -2.84 0.19 0.00 1.06 1.02 -1.19 -2.90 120.64 115.98 2kbi n GLU 1781Ca -0.01 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 2kbi n GLU 1781Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2kbi n GLU 1781CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kbi n SER 1782N -1.31 0.78 -0.57 1.62 3.41 -1.20 -4.83 113.62 111.52 2kbi n SER 1782Ca 0.07 -1.21 0.06 0.00 -0.26 0.00 0.00 58.87 57.53 2kbi n SER 1782Cb 0.12 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 2kbi n SER 1782CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kbi n THR 1783N -0.11 1.96 -1.61 6.66 -2.24 -1.14 -5.10 114.28 112.70 2kbi n THR 1783Ca 0.00 -2.87 -0.39 0.00 -2.27 0.00 0.00 64.05 58.52 2kbi n THR 1783Cb 0.20 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.05 1.07 0.02 -0.78 1.02 -1.25 -4.93 120.64 114.75 2kbi n GLU 1784Ca 0.17 0.40 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 2kbi n GLU 1784Cb 0.71 -2.13 0.52 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.59 0.05 -4.25 3.49 -0.04 -1.26 -4.85 135.00 127.56 2kbi n PRO 1785Ca 0.12 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.55 2kbi n PRO 1785Cb 0.45 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.34 2.36 0.28 1.53 1.43 -1.26 -4.97 118.68 114.70 2kbi s LEU 1786Ca 0.11 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.15 2kbi s LEU 1786Cb 0.15 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.13 2kbi s LEU 1786CO 0.48 -0.45 0.24 -0.55 0.23 0.00 0.00 176.35 176.30 2kbi s SER 1787N -3.17 0.94 0.40 2.29 0.15 -1.26 -5.06 113.70 107.98 2kbi s SER 1787Ca 0.20 -1.56 0.11 0.00 0.70 0.00 0.00 55.95 55.39 2kbi s SER 1787Cb 0.04 0.49 0.91 0.00 -1.71 0.00 0.00 66.02 65.76 2kbi s SER 1787CO 0.02 -0.99 1.94 -0.08 1.20 0.00 0.00 173.24 175.33 2kbi h GLU 1788N 2.34 0.55 -0.27 5.44 4.81 -2.02 -2.32 114.58 123.09 2kbi h GLU 1788Ca -0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2kbi h GLU 1788Cb 1.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2kbi h GLU 1788CO 0.43 0.36 0.17 0.22 -0.73 0.00 0.00 179.01 179.47 2kbi h ASP 1789N 0.56 0.32 -0.16 1.04 3.58 -1.98 -0.65 116.42 119.13 2kbi h ASP 1789Ca 0.33 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.62 2kbi h ASP 1789Cb 0.54 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 2kbi h ASP 1789CO -0.11 0.24 -0.44 0.44 -2.88 0.00 0.00 179.24 176.48 2kbi h ASP 1790N 0.37 0.77 -0.02 2.28 3.32 -1.83 -1.05 116.42 120.26 2kbi h ASP 1790Ca 0.10 -0.37 -0.25 0.00 0.02 0.00 0.00 57.03 56.53 2kbi h ASP 1790Cb -0.03 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.32 2kbi h ASP 1790CO -0.02 1.10 -0.96 -0.26 -1.72 0.00 0.00 179.24 177.38 2kbi h PHE 1791N 0.58 1.02 -0.50 4.55 0.04 -1.54 -1.83 116.94 119.25 2kbi h PHE 1791Ca 0.04 -0.54 0.04 0.00 2.80 0.00 0.00 57.97 60.31 2kbi h PHE 1791Cb 0.99 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 2kbi h PHE 1791CO 0.05 1.37 0.26 0.22 -0.60 0.00 0.00 178.31 179.61 2kbi h ASP 1792N 0.38 0.38 -0.02 2.17 3.58 -1.13 -0.96 116.42 120.81 2kbi h ASP 1792Ca -0.11 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.39 2kbi h ASP 1792Cb 1.62 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.58 2kbi h ASP 1792CO 0.19 0.26 -0.21 -0.03 -2.88 0.00 0.00 179.24 176.57 2kbi h MET 1793N 0.51 -0.31 -0.08 0.28 4.05 -1.22 -1.40 114.93 116.75 2kbi h MET 1793Ca 0.22 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.70 2kbi h MET 1793Cb 0.12 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 2kbi h MET 1793CO -0.15 -0.21 -0.29 0.35 0.23 0.00 0.00 176.91 176.84 2kbi h PHE 1794N -0.33 -0.78 -0.13 1.39 3.04 -0.80 -0.61 116.94 118.71 2kbi h PHE 1794Ca 0.07 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.99 2kbi h PHE 1794Cb 0.41 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 2kbi h PHE 1794CO -0.26 -0.37 -0.19 1.88 -2.02 0.00 0.00 178.31 177.35 2kbi h TYR 1795N -0.39 0.24 0.15 0.41 0.05 -1.15 -0.34 116.97 115.95 2kbi h TYR 1795Ca 0.09 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2kbi h TYR 1795Cb 0.51 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2kbi h TYR 1795CO -0.36 0.41 -0.07 1.49 -1.05 0.00 0.00 178.16 178.58 2kbi h GLU 1796N 0.21 -0.20 -0.31 4.88 4.81 -0.87 -3.28 114.58 119.82 2kbi h GLU 1796Ca 0.04 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2kbi h GLU 1796Cb 0.46 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2kbi h GLU 1796CO 0.03 0.18 0.02 0.82 -0.73 0.00 0.00 179.01 179.33 2kbi h ILE 1797N -0.62 1.17 -0.70 2.32 1.08 -1.01 -3.21 117.51 116.55 2kbi h ILE 1797Ca -0.02 -0.66 0.12 0.00 -0.39 0.00 0.00 64.86 63.90 2kbi h ILE 1797Cb 0.46 0.91 -0.08 0.00 -3.07 0.00 0.00 36.82 35.04 2kbi h ILE 1797CO 0.03 0.23 0.29 -0.25 -0.69 0.00 0.00 178.15 177.76 2kbi h TRP 1798N 0.46 0.51 0.00 1.37 2.91 -1.11 -2.46 115.95 117.62 2kbi h TRP 1798Ca 0.10 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2kbi h TRP 1798Cb 0.26 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2kbi h TRP 1798CO 0.01 0.11 0.00 0.93 -1.03 0.00 0.00 178.44 178.46 2kbi h GLU 1799N 0.47 0.00 0.00 2.65 5.08 -1.65 -0.97 114.58 120.16 2kbi h GLU 1799Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2kbi h GLU 1799Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kbi h GLU 1799CO -0.34 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.54 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.63 -3.30 116.57 115.54 2kbi h LYS 1800Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kbi h LYS 1800Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2kbi h LYS 1800CO 0.00 0.00 -0.67 1.19 -0.57 0.00 0.00 179.45 179.40 2kbi n PHE 1801N -2.88 0.00 -3.56 -1.35 3.72 -0.48 -4.80 117.46 108.11 2kbi n PHE 1801Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 2kbi n PHE 1801Cb 0.28 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 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 -1.31 4.11 0.21 4.37 2.03 -0.56 -4.85 116.55 120.56 2kbi n ASP 1802Ca 0.00 -3.27 0.15 0.00 0.52 0.00 0.00 54.79 52.19 2kbi n ASP 1802Cb 0.00 -0.91 0.58 0.00 -0.72 0.00 0.00 41.12 40.07 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 5.29 0.00 0.00 -0.67 0.13 -1.87 -2.68 132.00 132.19 2kbi h PRO 1803Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2kbi h PRO 1803Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kbi h PRO 1803CO 0.88 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.04 2kbi n GLU 1804N -2.73 0.09 -1.47 0.86 1.02 -1.26 -4.94 120.64 112.21 2kbi n GLU 1804Ca 0.02 0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 2kbi n GLU 1804Cb 0.29 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.60 -0.25 0.63 0.62 0.00 -1.01 -4.88 120.51 114.01 2kbi n ALA 1805Ca 0.06 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.76 2kbi n ALA 1805Cb 0.36 -1.26 0.39 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.95 0.74 -1.27 0.00 5.66 -1.26 -4.89 114.28 111.31 2kbi n THR 1806Ca -0.12 0.19 -0.08 0.00 -3.05 0.00 0.00 64.05 60.99 2kbi n THR 1806Cb 0.40 -0.87 -0.03 0.00 -1.55 0.00 0.00 70.33 68.28 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 -1.50 -0.54 -4.22 1.09 1.13 -1.26 -5.04 117.38 107.04 2kbi n GLN 1807Ca 0.04 0.75 -0.16 0.00 -1.94 0.00 0.00 57.00 55.69 2kbi n GLN 1807Cb 0.21 -4.59 -0.14 0.00 0.11 0.00 0.00 30.24 25.83 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 -2.29 0.63 0.13 1.08 0.08 -1.26 -0.86 117.98 115.49 2kbi s PHE 1808Ca 0.00 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.92 2kbi s PHE 1808Cb 0.00 -0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2kbi s PHE 1808CO 0.00 -0.02 -0.11 0.96 -0.10 0.00 0.00 175.22 175.95 2kbi s ILE 1809N -0.36 1.18 0.47 0.64 -4.36 -0.85 -4.83 121.20 113.10 2kbi s ILE 1809Ca 0.01 -1.86 -0.21 0.00 -0.26 0.00 0.00 60.65 58.33 2kbi s ILE 1809Cb -0.04 -1.63 -0.08 0.00 1.25 0.00 0.00 42.46 41.96 2kbi s ILE 1809CO -0.00 -0.60 1.08 -1.61 0.24 0.00 0.00 174.94 174.05 2kbi s GLU 1810N -3.18 3.81 0.52 0.37 2.02 -1.26 -0.88 118.70 120.09 2kbi s GLU 1810Ca 0.12 1.50 0.16 0.00 0.02 0.00 0.00 54.97 56.77 2kbi s GLU 1810Cb -0.01 -2.24 1.26 0.00 0.10 0.00 0.00 34.13 33.24 2kbi s GLU 1810CO 0.01 -0.45 2.15 -0.92 0.02 0.00 0.00 175.26 176.07 2kbi h TYR 1811N 1.80 0.01 0.00 1.61 3.20 -1.68 -1.08 116.97 120.83 2kbi h TYR 1811Ca -0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2kbi h TYR 1811Cb 1.23 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.50 2kbi h TYR 1811CO 0.56 0.01 0.00 -1.13 -1.64 0.00 0.00 178.16 175.95 2kbi n SER 1812N -4.54 0.61 -0.00 -2.11 3.41 -1.26 -3.18 113.62 106.55 2kbi n SER 1812Ca -0.03 0.68 0.01 0.00 -0.26 0.00 0.00 58.87 59.27 2kbi n SER 1812Cb 0.09 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 2kbi n SER 1812CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2kbi n VAL 1813N -2.20 0.00 -0.29 -3.33 0.24 -0.66 -4.68 118.33 107.40 2kbi n VAL 1813Ca 0.01 -0.18 0.01 0.00 -2.04 0.00 0.00 64.34 62.14 2kbi n VAL 1813Cb 0.17 0.66 0.15 0.00 -1.47 0.00 0.00 33.84 33.35 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 0.74 -1.76 1.34 6.46 -1.19 -0.61 115.31 120.29 2kbi h LEU 1814Ca 0.00 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2kbi h LEU 1814Cb 0.04 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.85 2kbi h LEU 1814CO 0.00 0.46 -0.07 0.77 -0.62 0.00 0.00 178.44 178.98 2kbi h SER 1815N 0.87 0.06 0.41 1.25 4.64 -1.83 0.47 113.55 119.41 2kbi h SER 1815Ca 0.38 -0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 61.38 2kbi h SER 1815Cb 0.25 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2kbi h SER 1815CO -0.20 0.14 -1.50 -0.78 -0.87 0.00 0.00 176.83 173.61 2kbi h ASP 1816N 0.06 0.52 -0.46 4.97 3.58 -1.69 -3.31 116.42 120.10 2kbi h ASP 1816Ca 0.02 -0.66 0.04 0.00 0.42 0.00 0.00 57.03 56.85 2kbi h ASP 1816Cb 0.16 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 2kbi h ASP 1816CO 0.01 1.54 0.23 0.15 -2.88 0.00 0.00 179.24 178.28 2kbi h PHE 1817N 0.09 0.42 -0.29 0.28 3.57 -0.85 -1.98 116.94 118.18 2kbi h PHE 1817Ca -0.24 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.36 2kbi h PHE 1817Cb 2.05 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.66 2kbi h PHE 1817CO 0.08 0.20 0.30 0.00 -2.23 0.00 0.00 178.31 176.67 2kbi h ALA 1818N 1.25 1.98 -0.01 2.41 0.00 -1.02 -1.03 119.26 122.83 2kbi h ALA 1818Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kbi h ALA 1818Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kbi h ALA 1818CO -0.15 -0.45 -0.56 -3.47 0.00 0.00 0.00 179.25 174.62 2kbi n ASP 1819N -3.83 1.78 0.14 0.00 2.03 -0.93 -1.21 116.55 114.53 2kbi n ASP 1819Ca 0.04 -1.39 0.12 0.00 0.52 0.00 0.00 54.79 54.08 2kbi n ASP 1819Cb 0.45 0.59 0.07 0.00 -0.72 0.00 0.00 41.12 41.51 2kbi n ASP 1819CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbi h ALA 1820N 3.58 0.67 -2.43 -1.67 0.00 -0.45 -3.47 119.26 115.47 2kbi h ALA 1820Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2kbi h ALA 1820Cb 0.68 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.59 2kbi h ALA 1820CO 0.00 0.00 0.31 -0.51 0.00 0.00 0.00 179.25 179.05 2kbi s LEU 1821N -5.50 2.34 0.37 0.00 1.43 -1.20 -5.04 118.68 111.08 2kbi s LEU 1821Ca 0.03 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 2kbi s LEU 1821Cb 0.09 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 2kbi s LEU 1821CO 0.74 -2.26 0.53 -0.55 0.23 0.00 0.00 176.35 175.05 2kbi s SER 1822N -3.90 5.94 0.68 2.29 0.15 -1.26 -4.66 113.70 112.94 2kbi s SER 1822Ca 0.62 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 57.08 2kbi s SER 1822Cb -0.15 -1.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.83 2kbi s SER 1822CO 0.54 -0.51 1.22 -1.61 1.20 0.00 0.00 173.24 174.09 2kbi s GLU 1823N -4.29 2.42 0.00 5.44 2.02 -1.26 -1.83 118.70 121.20 2kbi s GLU 1823Ca 0.46 1.83 0.28 0.00 0.02 0.00 0.00 54.97 57.56 2kbi s GLU 1823Cb -0.10 -1.86 1.03 0.00 0.10 0.00 0.00 34.13 33.31 2kbi s GLU 1823CO 0.33 -1.64 1.76 -0.35 0.02 0.00 0.00 175.26 175.38 2kbi n PRO 1824N -2.30 0.35 0.23 0.39 -0.04 -1.26 -4.82 135.00 127.55 2kbi n PRO 1824Ca 0.14 -0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2kbi n PRO 1824Cb 0.50 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.00 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 0.31 0.00 -9.39 1.53 3.38 -1.86 -3.45 115.31 105.83 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 0.43 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.25 2kbi h LEU 1825CO 0.00 0.23 0.52 -1.14 0.09 0.00 0.00 178.44 178.14 2kbi n ARG 1826N -3.73 1.54 -3.96 1.13 3.00 -0.76 -4.96 116.66 108.92 2kbi n ARG 1826Ca -0.01 0.55 -0.30 0.00 -0.00 0.00 0.00 57.85 58.08 2kbi n ARG 1826Cb 0.34 -2.20 -0.14 0.00 0.00 0.00 0.00 32.46 30.46 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 0.35 2.55 0.32 5.15 1.09 -0.35 -4.87 121.20 125.44 2kbi s ILE 1827Ca 0.78 -3.07 -0.29 0.00 -1.10 0.00 0.00 60.65 56.97 2kbi s ILE 1827Cb -0.81 -2.79 -0.11 0.00 -1.06 0.00 0.00 42.46 37.68 2kbi s ILE 1827CO 0.46 -0.75 1.54 0.00 -0.10 0.00 0.00 174.94 176.09 2kbi s ALA 1828N 0.01 3.67 0.60 9.38 0.00 -1.26 -3.86 121.76 130.30 2kbi s ALA 1828Ca 0.15 1.56 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 2kbi s ALA 1828Cb -0.24 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 2kbi s ALA 1828CO -0.02 -1.00 1.24 0.15 0.00 0.00 0.00 175.76 176.13 2kbi s LYS 1829N -1.14 2.90 0.11 0.00 1.02 -1.26 -3.96 119.74 117.41 2kbi s LYS 1829Ca 0.59 1.91 -0.31 0.00 0.02 0.00 0.00 55.97 58.18 2kbi s LYS 1829Cb -0.47 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.83 2kbi s LYS 1829CO 0.54 -1.28 1.29 -1.25 -0.92 0.00 0.00 175.35 173.72 2kbi s PRO 1830N -3.29 4.39 0.00 -1.68 0.04 -1.26 -5.13 135.00 128.06 2kbi s PRO 1830Ca 0.78 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.75 2kbi s PRO 1830Cb -0.33 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2kbi s PRO 1830CO 0.36 -0.31 0.59 0.27 0.04 0.00 0.00 177.00 177.95 2kbi n ASN 1831N 3.63 1.10 -0.34 6.66 0.23 -1.25 -4.82 115.26 120.47 2kbi n ASN 1831Ca 0.09 -1.31 0.03 0.00 -0.53 0.00 0.00 54.58 52.86 2kbi n ASN 1831Cb 0.44 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.31 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 1.01 -0.26 -3.83 3.07 -1.94 -0.02 115.11 113.13 2kbi h GLN 1832Ca 0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 58.65 58.55 2kbi h GLN 1832Cb 0.31 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 2kbi h GLN 1832CO 0.00 0.67 -0.35 0.82 0.09 0.00 0.00 178.83 180.06 2kbi h ILE 1833N 1.04 1.31 -0.45 1.86 1.08 -1.99 -1.39 117.51 118.96 2kbi h ILE 1833Ca 0.42 -1.54 0.07 0.00 -0.39 0.00 0.00 64.86 63.42 2kbi h ILE 1833Cb 0.24 1.67 -0.06 0.00 -3.07 0.00 0.00 36.82 35.61 2kbi h ILE 1833CO -0.20 0.49 0.13 0.28 -0.69 0.00 0.00 178.15 178.17 2kbi h SER 1834N 0.43 0.10 -0.26 1.72 0.02 -1.74 -1.66 113.55 112.17 2kbi h SER 1834Ca 0.03 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 2kbi h SER 1834Cb 0.94 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2kbi h SER 1834CO 0.08 0.09 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.40 2kbi h LEU 1835N 0.29 0.85 -1.52 5.07 3.38 -1.00 -2.85 115.31 119.53 2kbi h LEU 1835Ca 0.22 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2kbi h LEU 1835Cb 0.24 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2kbi h LEU 1835CO -0.25 1.14 0.36 0.40 0.09 0.00 0.00 178.44 180.18 2kbi h ILE 1836N 0.66 1.07 0.00 1.22 2.04 -0.99 -2.04 117.51 119.47 2kbi h ILE 1836Ca 0.06 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2kbi h ILE 1836Cb 0.95 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2kbi h ILE 1836CO 0.09 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.94 2kbi n ASN 1837N -4.47 0.24 -4.27 1.72 3.02 -0.65 -4.82 115.26 106.04 2kbi n ASN 1837Ca 0.06 0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 54.85 2kbi n ASN 1837Cb 0.14 -0.60 0.17 0.00 -0.61 0.00 0.00 39.78 38.88 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 -3.06 0.88 -0.66 3.52 -1.94 -0.77 -5.07 119.30 112.21 2kbi s MET 1838Ca 0.11 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.73 2kbi s MET 1838Cb 0.14 -1.88 0.17 0.00 2.01 0.00 0.00 34.83 35.27 2kbi s MET 1838CO 0.47 -2.25 0.46 0.34 -0.01 0.00 0.00 175.02 174.03 2kbi s ASP 1839N -4.84 5.06 -0.35 3.03 2.15 -1.26 -5.04 116.67 115.42 2kbi s ASP 1839Ca 0.72 -3.21 -0.08 0.00 0.43 0.00 0.00 52.55 50.40 2kbi s ASP 1839Cb -0.05 -1.78 0.03 0.00 -0.30 0.00 0.00 42.92 40.83 2kbi s ASP 1839CO 0.52 -0.25 0.14 -0.76 -0.17 0.00 0.00 175.17 174.65 2kbi s LEU 1840N -0.58 4.47 -0.58 -1.34 1.43 -1.26 -4.86 118.68 115.96 2kbi s LEU 1840Ca 0.20 -1.07 -0.27 0.00 -1.03 0.00 0.00 54.13 51.95 2kbi s LEU 1840Cb -0.17 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2kbi s LEU 1840CO -0.06 -0.35 1.57 -2.16 0.23 0.00 0.00 176.35 175.59 2kbi s PRO 1841N 1.46 3.08 -0.83 1.29 0.04 -1.26 -4.96 135.00 133.82 2kbi s PRO 1841Ca -0.00 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.30 2kbi s PRO 1841Cb -0.19 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 2kbi s PRO 1841CO 0.04 -2.21 1.80 -1.64 0.04 0.00 0.00 177.00 175.04 2kbi s MET 1842N 6.04 2.77 0.49 4.56 -1.94 -1.26 -4.10 119.30 125.86 2kbi s MET 1842Ca 0.57 -0.18 0.24 0.00 -1.71 0.00 0.00 55.69 54.61 2kbi s MET 1842Cb -0.12 -4.87 1.29 0.00 2.01 0.00 0.00 34.83 33.14 2kbi s MET 1842CO 0.23 -2.95 2.03 -0.39 -0.01 0.00 0.00 175.02 173.93 2kbi h VAL 1843N 7.01 0.73 -0.00 -6.03 -1.51 -1.33 -2.95 116.25 112.16 2kbi h VAL 1843Ca -0.01 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2kbi h VAL 1843Cb 1.05 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2kbi h VAL 1843CO 1.25 0.15 -0.21 -1.54 -1.23 0.00 0.00 177.57 175.99 2kbi n SER 1844N -3.80 0.74 0.00 4.19 3.41 -1.25 -4.98 113.62 111.93 2kbi n SER 1844Ca -0.02 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 2kbi n SER 1844Cb 0.26 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 0.91 1.07 0.00 5.00 0.00 -1.12 -4.84 105.19 106.22 2kbi n GLY 1845Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2kbi n GLY 1845CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbi n ASP 1846N 0.00 0.00 -4.54 1.61 5.68 -1.26 -5.01 116.55 113.03 2kbi n ASP 1846Ca 0.00 0.00 -0.27 0.00 -0.50 0.00 0.00 54.79 54.02 2kbi n ASP 1846Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2kbi s ARG 1847N 0.00 1.95 -0.01 0.11 0.52 -1.26 -1.63 118.95 118.63 2kbi s ARG 1847Ca 0.00 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 53.92 2kbi s ARG 1847Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 2kbi s ARG 1847CO 0.00 0.43 -0.04 0.42 0.02 0.00 0.00 175.30 176.13 2kbi s ILE 1848N -1.66 0.37 0.22 1.52 1.09 -0.06 -0.79 121.20 121.90 2kbi s ILE 1848Ca 0.24 -0.15 -0.30 0.00 -1.10 0.00 0.00 60.65 59.34 2kbi s ILE 1848Cb -0.09 -0.34 -0.09 0.00 -1.06 0.00 0.00 42.46 40.88 2kbi s ILE 1848CO 0.14 0.13 1.14 -2.28 -0.10 0.00 0.00 174.94 173.97 2kbi s HIS 1849N 0.17 3.51 0.12 3.97 5.65 -1.26 -2.00 115.29 125.45 2kbi s HIS 1849Ca -0.02 1.57 -0.31 0.00 0.25 0.00 0.00 55.06 56.56 2kbi s HIS 1849Cb -0.05 -3.35 -0.10 0.00 -1.18 0.00 0.00 32.58 27.90 2kbi s HIS 1849CO -0.00 -0.84 1.51 0.00 -0.65 0.00 0.00 174.74 174.76 2kbi h MET 1851N -0.37 0.02 -0.01 0.00 2.86 -1.95 -1.71 114.93 113.77 2kbi h MET 1851Ca 0.07 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.52 2kbi h MET 1851Cb 0.55 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2kbi h MET 1851CO -0.55 0.29 -0.81 -0.44 1.06 0.00 0.00 176.91 176.46 2kbi h ASP 1852N 0.02 0.20 -0.12 1.22 5.19 -1.88 -0.10 116.42 120.96 2kbi h ASP 1852Ca 0.00 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 2kbi h ASP 1852Cb 0.49 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 2kbi h ASP 1852CO 0.04 0.93 0.04 0.40 -3.12 0.00 0.00 179.24 177.52 2kbi h ILE 1853N 0.09 1.16 -0.67 0.35 2.04 -1.08 -1.01 117.51 118.40 2kbi h ILE 1853Ca -0.03 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2kbi h ILE 1853Cb 1.42 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 2kbi h ILE 1853CO 0.12 0.14 0.36 0.25 0.00 0.00 0.00 178.15 179.02 2kbi h LEU 1854N 0.02 0.52 -0.43 1.44 5.85 -1.24 -0.70 115.31 120.78 2kbi h LEU 1854Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kbi h LEU 1854Cb 0.19 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2kbi h LEU 1854CO -0.00 0.33 0.28 0.15 -0.34 0.00 0.00 178.44 178.85 2kbi h PHE 1855N 0.65 0.54 -0.59 1.25 3.57 -0.89 0.62 116.94 122.10 2kbi h PHE 1855Ca 0.31 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 2kbi h PHE 1855Cb 0.23 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2kbi h PHE 1855CO -0.09 0.35 0.13 0.00 -2.23 0.00 0.00 178.31 176.47 2kbi h ALA 1856N 1.15 1.12 -0.01 2.41 0.00 -0.80 -1.36 119.26 121.78 2kbi h ALA 1856Ca 0.16 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 2kbi h ALA 1856Cb -0.06 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.52 2kbi h ALA 1856CO -0.03 0.59 -0.86 0.74 0.00 0.00 0.00 179.25 179.68 2kbi h PHE 1857N 0.88 0.88 -0.51 0.00 -1.00 -0.90 -2.81 116.94 113.48 2kbi h PHE 1857Ca 0.19 -0.47 -0.08 0.00 2.81 0.00 0.00 57.97 60.42 2kbi h PHE 1857Cb 0.34 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 2kbi h PHE 1857CO 0.02 1.30 0.01 1.79 -1.61 0.00 0.00 178.31 179.83 2kbi h THR 1858N 0.20 1.25 -0.71 -1.55 1.35 -0.89 -2.22 112.91 110.35 2kbi h THR 1858Ca -0.11 -1.02 0.11 0.00 -0.55 0.00 0.00 66.41 64.84 2kbi h THR 1858Cb 1.54 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 68.76 2kbi h THR 1858CO 0.17 0.36 0.47 0.11 -0.25 0.00 0.00 175.52 176.38 2kbi h LYS 1859N 0.79 0.51 -0.49 4.72 1.57 -1.28 -0.67 116.57 121.72 2kbi h LYS 1859Ca 0.15 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2kbi h LYS 1859Cb 0.46 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2kbi h LYS 1859CO 0.02 0.34 0.16 -0.09 -0.57 0.00 0.00 179.45 179.31 2kbi h ARG 1860N 0.52 0.72 -0.00 3.15 9.65 -1.12 -0.21 114.38 127.09 2kbi h ARG 1860Ca 0.33 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2kbi h ARG 1860Cb 0.58 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2kbi h ARG 1860CO -0.11 0.62 -0.01 0.28 2.80 0.00 0.00 179.97 183.56 2kbi h VAL 1861N 0.71 1.52 0.00 0.20 2.07 -1.19 -3.34 116.25 116.21 2kbi h VAL 1861Ca 0.17 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2kbi h VAL 1861Cb 0.20 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2kbi h VAL 1861CO -0.01 0.40 -0.04 -0.07 0.02 0.00 0.00 177.57 177.86 2kbi h LEU 1862N -0.64 0.00 0.00 2.57 3.38 -1.03 -3.47 115.31 116.11 2kbi h LEU 1862Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kbi h LEU 1862Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2kbi h LEU 1862CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2kbi n GLY 1863N -0.01 0.53 5.00 0.83 0.00 -0.16 -4.70 105.19 106.68 2kbi n GLY 1863Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.78 0.00 0.00 1.61 1.02 -0.77 -5.04 120.64 114.69 2kbi n GLU 1864Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kbi n GLU 1864Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74