#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 -2.02 -3.46 132.00 128.23 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 -1.18 1.06 3.76 -0.55 0.00 -1.26 -5.07 105.19 101.95 2kbi n GLY -2 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.91 5.18 0.54 1.61 0.15 -1.26 -4.95 113.70 112.06 2kbi s SER -1 Ca 0.00 2.14 0.36 0.00 0.70 0.00 0.00 55.95 59.15 2kbi s SER -1 Cb 0.00 -2.57 1.90 0.00 -1.71 0.00 0.00 66.02 63.64 2kbi s SER -1 CO 0.00 -1.58 2.10 1.05 1.20 0.00 0.00 173.24 176.01 2kbi h GLU 1773N 0.43 0.00 -0.32 5.44 4.11 -1.99 -2.15 114.58 120.10 2kbi h GLU 1773Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 2kbi h GLU 1773Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2kbi h GLU 1773CO 0.54 0.00 0.06 -0.97 0.07 0.00 0.00 179.01 178.72 2kbi h ASN 1774N 0.00 0.43 0.05 3.06 -0.73 -2.03 -2.58 115.58 113.78 2kbi h ASN 1774Ca 0.00 -0.06 -0.15 0.00 1.87 0.00 0.00 56.30 57.96 2kbi h ASN 1774Cb 0.08 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2kbi h ASN 1774CO 0.00 0.45 -0.51 0.15 -0.37 0.00 0.00 177.43 177.15 2kbi h PHE 1775N 0.46 0.64 0.00 0.67 3.57 -1.77 -3.24 116.94 117.28 2kbi h PHE 1775Ca 0.11 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2kbi h PHE 1775Cb 0.21 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2kbi h PHE 1775CO 0.01 0.92 0.00 0.43 -2.23 0.00 0.00 178.31 177.44 2kbi n SER 1776N -3.97 0.00 0.32 0.41 7.64 -0.98 -3.16 113.62 113.88 2kbi n SER 1776Ca -0.03 0.41 0.22 0.00 1.01 0.00 0.00 58.87 60.48 2kbi n SER 1776Cb 0.58 -0.45 1.13 0.00 -1.01 0.00 0.00 64.21 64.46 2kbi n SER 1776CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kbi h VAL 1777N 0.00 0.00 0.00 0.44 2.07 -1.57 -2.02 116.25 115.17 2kbi h VAL 1777Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2kbi h VAL 1777Cb 0.17 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2kbi h VAL 1777CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2kbi n ALA 1778N -2.06 1.40 -2.65 1.67 0.00 -1.19 -4.36 120.51 113.31 2kbi n ALA 1778Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 2kbi n ALA 1778Cb 0.10 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 2kbi n ALA 1778CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kbi s THR 1779N -2.77 1.05 0.00 0.00 2.01 -0.76 -4.89 115.64 110.28 2kbi s THR 1779Ca 0.05 -1.40 0.00 0.00 0.31 0.00 0.00 61.69 60.64 2kbi s THR 1779Cb 0.04 -1.14 0.00 0.00 0.01 0.00 0.00 72.50 71.41 2kbi s THR 1779CO 0.11 -0.33 0.00 1.21 -0.69 0.00 0.00 174.62 174.91 2kbi n GLU 1780N 1.06 0.00 -0.66 4.92 2.13 -1.26 -4.78 120.64 122.04 2kbi n GLU 1780Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 2kbi n GLU 1780Cb 0.55 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 32.07 2kbi n GLU 1780CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kbi n GLU 1781N 0.00 -0.48 -3.77 5.31 1.02 -1.26 -4.90 120.64 116.55 2kbi n GLU 1781Ca 0.00 0.12 -0.09 0.00 -0.02 0.00 0.00 57.16 57.17 2kbi n GLU 1781Cb 0.00 -4.47 -0.06 0.00 -0.02 0.00 0.00 31.44 26.89 2kbi n GLU 1781CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kbi s SER 1782N -2.06 -0.01 0.00 1.62 0.15 -1.26 -5.05 113.70 107.09 2kbi s SER 1782Ca 0.00 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2kbi s SER 1782Cb 0.00 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2kbi s SER 1782CO 0.00 -0.78 0.46 0.35 1.20 0.00 0.00 173.24 174.47 2kbi n THR 1783N -0.12 0.21 -3.47 6.45 -2.24 -1.26 -5.12 114.28 108.72 2kbi n THR 1783Ca -0.15 -0.33 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 2kbi n THR 1783Cb 0.63 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 70.02 2kbi n THR 1783CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kbi s GLU 1784N -0.21 3.51 0.00 -0.78 2.02 -1.26 -5.02 118.70 116.96 2kbi s GLU 1784Ca 0.00 -0.31 0.26 0.00 0.02 0.00 0.00 54.97 54.94 2kbi s GLU 1784Cb 0.00 -2.71 1.33 0.00 0.10 0.00 0.00 34.13 32.85 2kbi s GLU 1784CO 0.00 0.23 1.89 -0.35 0.02 0.00 0.00 175.26 177.05 2kbi n PRO 1785N -1.40 0.37 -4.33 0.39 -0.04 -1.26 -4.79 135.00 123.93 2kbi n PRO 1785Ca -0.05 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 2kbi n PRO 1785Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.58 2.45 0.25 1.53 1.43 -1.26 -5.01 118.68 115.50 2kbi s LEU 1786Ca 0.25 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2kbi s LEU 1786Cb 0.18 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2kbi s LEU 1786CO 0.40 -0.05 0.18 -0.55 0.23 0.00 0.00 176.35 176.56 2kbi s SER 1787N -2.73 0.81 0.44 2.29 0.15 -1.26 -5.00 113.70 108.39 2kbi s SER 1787Ca 0.16 -1.52 0.15 0.00 0.70 0.00 0.00 55.95 55.44 2kbi s SER 1787Cb -0.05 0.43 1.06 0.00 -1.71 0.00 0.00 66.02 65.75 2kbi s SER 1787CO 0.07 -0.91 1.95 -0.08 1.20 0.00 0.00 173.24 175.47 2kbi h GLU 1788N 2.42 0.37 -0.39 5.44 4.81 -2.02 -1.93 114.58 123.27 2kbi h GLU 1788Ca -0.32 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2kbi h GLU 1788Cb 1.24 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2kbi h GLU 1788CO 0.48 0.25 0.23 0.22 -0.73 0.00 0.00 179.01 179.46 2kbi h ASP 1789N 0.38 0.46 -0.15 1.04 3.58 -1.98 -0.13 116.42 119.62 2kbi h ASP 1789Ca 0.32 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 2kbi h ASP 1789Cb 0.72 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2kbi h ASP 1789CO -0.09 0.36 -0.15 0.44 -2.88 0.00 0.00 179.24 176.92 2kbi h ASP 1790N 0.54 0.40 -0.46 2.28 3.32 -1.77 -1.77 116.42 118.96 2kbi h ASP 1790Ca 0.14 -0.48 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 2kbi h ASP 1790Cb -0.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2kbi h ASP 1790CO -0.03 0.80 -0.07 -0.26 -1.72 0.00 0.00 179.24 177.96 2kbi h PHE 1791N 0.01 1.00 -0.17 4.55 0.04 -1.52 -0.81 116.94 120.04 2kbi h PHE 1791Ca 0.02 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2kbi h PHE 1791Cb 0.69 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2kbi h PHE 1791CO 0.08 0.94 0.11 0.22 -0.60 0.00 0.00 178.31 179.06 2kbi h ASP 1792N 0.83 0.20 -0.57 2.17 3.58 -1.04 -1.85 116.42 119.73 2kbi h ASP 1792Ca 0.14 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.63 2kbi h ASP 1792Cb 0.59 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 2kbi h ASP 1792CO 0.04 0.16 0.29 -0.03 -2.88 0.00 0.00 179.24 176.82 2kbi h MET 1793N 0.23 0.54 0.28 0.28 4.05 -1.18 -0.74 114.93 118.38 2kbi h MET 1793Ca 0.06 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2kbi h MET 1793Cb -0.02 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 2kbi h MET 1793CO -0.01 0.36 -0.34 0.35 0.23 0.00 0.00 176.91 177.49 2kbi h PHE 1794N 0.56 -0.93 -0.00 1.39 3.04 -0.89 -2.07 116.94 118.03 2kbi h PHE 1794Ca 0.26 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.13 2kbi h PHE 1794Cb 0.18 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2kbi h PHE 1794CO -0.10 -0.47 -0.41 1.88 -2.02 0.00 0.00 178.31 177.18 2kbi h TYR 1795N -0.67 0.01 -0.29 0.41 0.05 -1.25 -0.04 116.97 115.20 2kbi h TYR 1795Ca -0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kbi h TYR 1795Cb 0.63 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 2kbi h TYR 1795CO -0.23 0.42 0.13 1.49 -1.05 0.00 0.00 178.16 178.92 2kbi h GLU 1796N 0.01 0.42 -0.18 4.88 4.81 -1.00 -3.09 114.58 120.43 2kbi h GLU 1796Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 2kbi h GLU 1796Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2kbi h GLU 1796CO 0.05 0.43 -0.49 0.82 -0.73 0.00 0.00 179.01 179.09 2kbi h ILE 1797N 0.32 1.32 -0.64 2.32 1.08 -1.20 -3.31 117.51 117.40 2kbi h ILE 1797Ca 0.10 -1.71 0.10 0.00 -0.39 0.00 0.00 64.86 62.96 2kbi h ILE 1797Cb 0.15 1.71 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 2kbi h ILE 1797CO -0.01 0.53 0.25 -0.25 -0.69 0.00 0.00 178.15 177.98 2kbi h TRP 1798N 0.39 0.44 0.00 1.37 2.91 -0.92 -2.39 115.95 117.74 2kbi h TRP 1798Ca 0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.07 2kbi h TRP 1798Cb 1.00 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 2kbi h TRP 1798CO 0.04 0.11 0.00 0.93 -1.03 0.00 0.00 178.44 178.48 2kbi h GLU 1799N 0.43 0.00 0.00 2.65 5.08 -1.63 -0.90 114.58 120.21 2kbi h GLU 1799Ca 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2kbi h GLU 1799Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kbi h GLU 1799CO -0.32 0.00 -0.26 0.87 -1.00 0.00 0.00 179.01 178.30 2kbi h LYS 1800N 0.00 0.00 0.00 2.33 1.57 -1.62 -2.89 116.57 115.96 2kbi h LYS 1800Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2kbi h LYS 1800Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2kbi h LYS 1800CO 0.00 0.26 -1.59 1.19 -0.57 0.00 0.00 179.45 178.74 2kbi n PHE 1801N -3.47 0.00 -3.42 -1.35 3.01 -0.47 -4.72 117.46 107.05 2kbi n PHE 1801Ca -0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.19 2kbi n PHE 1801Cb 0.43 -0.31 -0.08 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.99 2.60 0.23 4.37 2.03 -0.48 -4.93 116.55 118.39 2kbi n ASP 1802Ca -0.04 -3.18 0.15 0.00 0.52 0.00 0.00 54.79 52.24 2kbi n ASP 1802Cb 0.38 -0.67 0.57 0.00 -0.72 0.00 0.00 41.12 40.68 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 4.34 0.00 0.00 -0.67 0.13 -1.79 -2.63 132.00 131.38 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 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kbi h PRO 1803CO 0.71 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 2kbi n GLU 1804N -2.89 0.21 -1.77 0.86 1.02 -1.26 -4.96 120.64 111.85 2kbi n GLU 1804Ca 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 2kbi n GLU 1804Cb 0.33 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.40 -0.39 0.42 0.62 0.00 -0.99 -4.89 120.51 113.89 2kbi n ALA 1805Ca 0.11 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.85 2kbi n ALA 1805Cb 0.29 -1.74 0.34 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.59 1.04 -1.15 0.00 -2.24 -1.26 -4.89 114.28 103.19 2kbi n THR 1806Ca -0.18 0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2kbi n THR 1806Cb 0.58 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.70 -0.42 -4.18 -0.78 1.13 -1.26 -5.04 117.38 105.13 2kbi n GLN 1807Ca 0.03 0.65 -0.18 0.00 -1.94 0.00 0.00 57.00 55.56 2kbi n GLN 1807Cb 0.17 -4.37 -0.12 0.00 0.11 0.00 0.00 30.24 26.03 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 -2.17 1.19 0.12 1.08 0.08 -1.26 -0.81 117.98 116.22 2kbi s PHE 1808Ca 0.00 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.60 2kbi s PHE 1808Cb 0.00 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 2kbi s PHE 1808CO 0.00 0.05 0.00 0.96 -0.10 0.00 0.00 175.22 176.13 2kbi s ILE 1809N -1.24 0.42 0.43 0.64 -4.36 -1.01 -4.81 121.20 111.27 2kbi s ILE 1809Ca -0.02 -1.92 -0.20 0.00 -0.26 0.00 0.00 60.65 58.25 2kbi s ILE 1809Cb -0.10 -1.91 -0.10 0.00 1.25 0.00 0.00 42.46 41.60 2kbi s ILE 1809CO 0.02 -0.64 0.94 -1.61 0.24 0.00 0.00 174.94 173.89 2kbi s GLU 1810N -3.94 4.18 0.39 0.37 2.02 -1.26 -1.18 118.70 119.27 2kbi s GLU 1810Ca 0.19 1.06 0.08 0.00 0.02 0.00 0.00 54.97 56.32 2kbi s GLU 1810Cb 0.07 -2.20 0.82 0.00 0.10 0.00 0.00 34.13 32.93 2kbi s GLU 1810CO -0.01 -0.04 1.99 -0.92 0.02 0.00 0.00 175.26 176.30 2kbi h TYR 1811N 1.83 0.63 0.00 1.61 3.20 -1.41 -0.40 116.97 122.43 2kbi h TYR 1811Ca -0.49 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2kbi h TYR 1811Cb 1.18 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2kbi h TYR 1811CO 0.62 0.35 0.00 0.43 -1.64 0.00 0.00 178.16 177.92 2kbi n SER 1812N -4.47 0.46 -0.00 -2.11 7.64 -1.26 -2.78 113.62 111.09 2kbi n SER 1812Ca 0.08 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.62 2kbi n SER 1812Cb 0.20 -0.74 -0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2kbi n SER 1812CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kbi n VAL 1813N -2.06 0.00 -0.27 0.44 0.24 -0.66 -4.68 118.33 111.35 2kbi n VAL 1813Ca 0.01 -0.20 0.02 0.00 -2.04 0.00 0.00 64.34 62.13 2kbi n VAL 1813Cb 0.12 0.69 0.15 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.58 -2.17 1.34 6.46 -0.93 -0.03 115.31 120.56 2kbi h LEU 1814Ca 0.00 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2kbi h LEU 1814Cb 0.01 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2kbi h LEU 1814CO 0.00 0.34 -0.07 0.77 -0.62 0.00 0.00 178.44 178.86 2kbi h SER 1815N 0.71 0.00 0.24 1.25 4.64 -1.82 0.10 113.55 118.67 2kbi h SER 1815Ca 0.37 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.34 2kbi h SER 1815Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2kbi h SER 1815CO -0.25 0.07 -1.78 -0.78 -0.87 0.00 0.00 176.83 173.22 2kbi h ASP 1816N 0.00 0.49 -0.52 4.97 3.58 -1.59 -3.30 116.42 120.05 2kbi h ASP 1816Ca -0.00 -0.81 0.04 0.00 0.42 0.00 0.00 57.03 56.68 2kbi h ASP 1816Cb 0.20 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 2kbi h ASP 1816CO 0.01 1.70 0.27 0.15 -2.88 0.00 0.00 179.24 178.49 2kbi h PHE 1817N 0.08 0.49 -0.70 0.28 3.57 -0.80 -2.18 116.94 117.69 2kbi h PHE 1817Ca -0.34 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.36 2kbi h PHE 1817Cb 2.06 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.62 2kbi h PHE 1817CO 0.08 0.24 0.49 0.00 -2.23 0.00 0.00 178.31 176.90 2kbi h ALA 1818N 1.27 2.46 -0.02 2.41 0.00 -0.94 -1.00 119.26 123.45 2kbi h ALA 1818Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kbi h ALA 1818Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kbi h ALA 1818CO -0.15 -0.66 -0.26 -3.47 0.00 0.00 0.00 179.25 174.70 2kbi n ASP 1819N -4.39 1.94 0.08 0.00 2.03 -0.96 -1.09 116.55 114.17 2kbi n ASP 1819Ca 0.14 -1.48 0.11 0.00 0.52 0.00 0.00 54.79 54.08 2kbi n ASP 1819Cb 0.68 0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 41.28 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 0.16 2.54 -1.19 -1.67 0.00 -0.39 -4.96 120.51 115.01 2kbi n ALA 1820Ca 0.12 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 2kbi n ALA 1820Cb 0.46 -1.03 0.14 0.00 0.00 0.00 0.00 19.45 19.02 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 -5.23 2.22 0.41 0.00 1.43 -1.18 -5.02 118.68 111.32 2kbi s LEU 1821Ca -0.02 1.49 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2kbi s LEU 1821Cb 0.10 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 2kbi s LEU 1821CO 0.81 -2.68 0.66 -0.55 0.23 0.00 0.00 176.35 174.82 2kbi s SER 1822N -3.40 6.23 0.65 2.29 0.15 -1.26 -4.64 113.70 113.73 2kbi s SER 1822Ca 0.64 0.64 -0.17 0.00 0.70 0.00 0.00 55.95 57.75 2kbi s SER 1822Cb -0.18 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2kbi s SER 1822CO 0.57 -0.46 1.24 -1.61 1.20 0.00 0.00 173.24 174.18 2kbi s GLU 1823N -4.52 2.58 0.00 5.44 2.02 -1.26 -1.60 118.70 121.36 2kbi s GLU 1823Ca 0.44 1.90 0.28 0.00 0.02 0.00 0.00 54.97 57.61 2kbi s GLU 1823Cb -0.10 -1.87 1.03 0.00 0.10 0.00 0.00 34.13 33.29 2kbi s GLU 1823CO 0.40 -1.53 1.77 -0.35 0.02 0.00 0.00 175.26 175.57 2kbi n PRO 1824N -2.02 0.12 0.20 0.39 -0.04 -1.26 -4.83 135.00 127.56 2kbi n PRO 1824Ca 0.14 -0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2kbi n PRO 1824Cb 0.49 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.08 0.00 -9.16 1.53 3.38 -1.86 -3.45 115.31 105.84 2kbi h LEU 1825Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2kbi h LEU 1825Cb 0.47 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.33 2kbi h LEU 1825CO 0.00 0.31 -0.35 -1.14 0.09 0.00 0.00 178.44 177.35 2kbi n ARG 1826N -3.88 0.43 -3.79 1.13 3.00 -0.63 -4.95 116.66 107.98 2kbi n ARG 1826Ca -0.02 0.15 -0.30 0.00 -0.00 0.00 0.00 57.85 57.69 2kbi n ARG 1826Cb 0.39 -1.28 -0.14 0.00 0.00 0.00 0.00 32.46 31.43 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 -1.08 1.63 0.44 5.15 1.09 -0.25 -4.91 121.20 123.28 2kbi s ILE 1827Ca 0.62 -2.51 -0.26 0.00 -1.10 0.00 0.00 60.65 57.40 2kbi s ILE 1827Cb -0.83 -2.16 -0.08 0.00 -1.06 0.00 0.00 42.46 38.33 2kbi s ILE 1827CO 0.58 -0.82 1.40 0.00 -0.10 0.00 0.00 174.94 176.00 2kbi s ALA 1828N 0.46 3.27 0.56 9.38 0.00 -1.26 -3.84 121.76 130.33 2kbi s ALA 1828Ca 0.16 1.42 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 2kbi s ALA 1828Cb -0.23 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 2kbi s ALA 1828CO -0.04 -1.10 1.23 0.15 0.00 0.00 0.00 175.76 176.00 2kbi s LYS 1829N -2.38 3.11 0.12 0.00 1.02 -1.26 -3.93 119.74 116.43 2kbi s LYS 1829Ca 0.60 1.90 -0.31 0.00 0.02 0.00 0.00 55.97 58.18 2kbi s LYS 1829Cb -0.43 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 34.75 2kbi s LYS 1829CO 0.55 -1.11 1.31 -1.25 -0.92 0.00 0.00 175.35 173.93 2kbi s PRO 1830N -3.15 4.37 0.00 -1.68 0.04 -1.26 -5.13 135.00 128.19 2kbi s PRO 1830Ca 0.74 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2kbi s PRO 1830Cb -0.32 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2kbi s PRO 1830CO 0.36 -0.33 0.16 0.27 0.04 0.00 0.00 177.00 177.51 2kbi n ASN 1831N 3.58 0.33 -0.29 6.66 0.23 -1.25 -4.77 115.26 119.74 2kbi n ASN 1831Ca 0.09 -0.66 0.04 0.00 -0.53 0.00 0.00 54.58 53.53 2kbi n ASN 1831Cb 0.44 0.60 0.19 0.00 -2.08 0.00 0.00 39.78 38.93 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 0.68 -0.63 -3.83 -0.00 -1.94 -0.84 115.11 108.55 2kbi h GLN 1832Ca 0.00 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 2kbi h GLN 1832Cb 0.01 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.48 27.31 2kbi h GLN 1832CO 0.00 0.45 0.21 0.82 -0.00 0.00 0.00 178.83 180.31 2kbi h ILE 1833N 0.70 1.24 -0.11 1.86 2.04 -1.99 -0.34 117.51 120.92 2kbi h ILE 1833Ca 0.42 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2kbi h ILE 1833Cb 0.48 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2kbi h ILE 1833CO -0.30 0.32 0.07 -1.28 0.00 0.00 0.00 178.15 176.95 2kbi h SER 1834N 0.90 0.13 -0.13 1.72 0.87 -1.66 -1.75 113.55 113.63 2kbi h SER 1834Ca 0.20 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2kbi h SER 1834Cb 0.27 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2kbi h SER 1834CO -0.01 0.15 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.32 2kbi h LEU 1835N 0.11 0.39 -0.78 2.23 3.38 -1.02 -1.87 115.31 117.74 2kbi h LEU 1835Ca 0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2kbi h LEU 1835Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2kbi h LEU 1835CO -0.01 0.49 -0.07 0.40 0.09 0.00 0.00 178.44 179.34 2kbi h ILE 1836N 0.39 1.26 0.00 1.22 2.04 -0.93 -2.95 117.51 118.54 2kbi h ILE 1836Ca 0.08 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2kbi h ILE 1836Cb 0.34 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2kbi h ILE 1836CO 0.01 0.40 0.00 0.78 0.00 0.00 0.00 178.15 179.34 2kbi h ASN 1837N 0.78 0.00 -4.07 1.72 2.35 -0.56 -3.45 115.58 112.35 2kbi h ASN 1837Ca 0.14 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.43 2kbi h ASN 1837Cb 0.56 0.00 0.14 0.00 0.05 0.00 0.00 38.32 39.08 2kbi h ASN 1837CO 0.03 0.00 0.26 -0.04 -1.65 0.00 0.00 177.43 176.03 2kbi s MET 1838N -3.33 0.71 -0.27 0.81 -1.94 -0.78 -5.02 119.30 109.47 2kbi s MET 1838Ca 0.05 0.29 0.11 0.00 -1.71 0.00 0.00 55.69 54.43 2kbi s MET 1838Cb 0.09 -1.79 0.56 0.00 2.01 0.00 0.00 34.83 35.70 2kbi s MET 1838CO 0.52 -2.49 1.53 -3.47 -0.01 0.00 0.00 175.02 171.09 2kbi n ASP 1839N -3.97 3.32 -4.42 3.03 2.03 -1.26 -5.01 116.55 110.26 2kbi n ASP 1839Ca 0.07 -3.45 -0.54 0.00 0.52 0.00 0.00 54.79 51.39 2kbi n ASP 1839Cb 0.59 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 40.27 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 -0.82 1.77 -4.58 -2.67 4.77 -1.26 -4.91 117.00 109.30 2kbi n LEU 1840Ca 0.33 0.57 -0.42 0.00 -0.03 0.00 0.00 56.01 56.46 2kbi n LEU 1840Cb 1.09 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2kbi n LEU 1840CO 0.24 -0.71 1.15 -2.16 -1.33 0.00 0.00 177.39 174.58 2kbi s PRO 1841N 5.81 3.47 0.58 3.23 0.04 -1.26 -5.03 135.00 141.83 2kbi s PRO 1841Ca 1.11 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 2kbi s PRO 1841Cb -1.07 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 29.40 2kbi s PRO 1841CO 0.56 -1.73 1.28 -1.64 0.04 0.00 0.00 177.00 175.50 2kbi s MET 1842N 5.10 2.97 -0.03 4.56 -1.94 -1.26 -4.28 119.30 124.41 2kbi s MET 1842Ca 0.48 2.02 0.09 0.00 -1.71 0.00 0.00 55.69 56.57 2kbi s MET 1842Cb -0.09 -2.05 -0.14 0.00 2.01 0.00 0.00 34.83 34.56 2kbi s MET 1842CO 0.26 -1.26 0.18 1.33 -0.01 0.00 0.00 175.02 175.52 2kbi n VAL 1843N -1.41 0.12 -0.73 -6.03 0.24 0.29 -4.75 118.33 106.06 2kbi n VAL 1843Ca 0.13 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2kbi n VAL 1843Cb 0.48 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2kbi n VAL 1843CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2kbi n SER 1844N -1.93 0.54 0.00 -1.34 7.64 -1.24 -5.01 113.62 112.28 2kbi n SER 1844Ca -0.04 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.57 2kbi n SER 1844Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2kbi n SER 1844CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kbi n GLY 1845N -0.13 3.13 0.00 0.23 0.00 -1.26 -4.66 105.19 102.49 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 1.34 0.00 0.00 0.00 173.32 174.66 2kbi n ASP 1846N 0.11 0.00 -4.50 1.61 2.03 -1.26 -5.01 116.55 109.53 2kbi n ASP 1846Ca 0.00 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 2kbi n ASP 1846Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kbi s ARG 1847N 0.00 1.94 -0.00 -0.67 0.52 -1.26 -0.93 118.95 118.55 2kbi s ARG 1847Ca 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 2kbi s ARG 1847Cb 0.00 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.29 2kbi s ARG 1847CO 0.00 0.50 -0.01 0.42 0.02 0.00 0.00 175.30 176.23 2kbi s ILE 1848N -1.10 0.09 0.19 1.52 1.09 -0.33 -0.55 121.20 122.11 2kbi s ILE 1848Ca 0.18 -0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.40 2kbi s ILE 1848Cb -0.11 -0.10 -0.08 0.00 -1.06 0.00 0.00 42.46 41.12 2kbi s ILE 1848CO 0.10 0.04 0.97 -2.28 -0.10 0.00 0.00 174.94 173.66 2kbi s HIS 1849N 0.11 3.88 0.15 3.97 5.65 -1.26 -2.40 115.29 125.39 2kbi s HIS 1849Ca -0.01 1.85 -0.28 0.00 0.25 0.00 0.00 55.06 56.87 2kbi s HIS 1849Cb -0.02 -3.04 -0.02 0.00 -1.18 0.00 0.00 32.58 28.32 2kbi s HIS 1849CO -0.00 0.26 1.57 0.00 -0.65 0.00 0.00 174.74 175.91 2kbi h MET 1851N -0.34 0.66 -0.07 0.00 1.85 -1.95 -1.29 114.93 113.78 2kbi h MET 1851Ca 0.13 -0.10 -0.17 0.00 -0.61 0.00 0.00 59.70 58.95 2kbi h MET 1851Cb 0.59 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 2kbi h MET 1851CO -0.58 0.57 -0.69 -0.44 -0.40 0.00 0.00 176.91 175.37 2kbi h ASP 1852N 0.65 0.36 0.08 1.39 5.19 -1.86 -0.39 116.42 121.84 2kbi h ASP 1852Ca 0.15 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2kbi h ASP 1852Cb 0.18 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2kbi h ASP 1852CO -0.01 0.95 -0.04 0.40 -3.12 0.00 0.00 179.24 177.42 2kbi h ILE 1853N 0.21 0.99 -0.18 0.35 2.04 -1.02 -1.50 117.51 118.40 2kbi h ILE 1853Ca -0.02 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2kbi h ILE 1853Cb 1.25 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 2kbi h ILE 1853CO 0.11 0.06 -0.14 0.25 0.00 0.00 0.00 178.15 178.43 2kbi h LEU 1854N -0.21 -0.45 -0.70 1.44 5.85 -1.15 -0.80 115.31 119.30 2kbi h LEU 1854Ca -0.01 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2kbi h LEU 1854Cb 0.17 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2kbi h LEU 1854CO 0.02 -0.18 0.41 0.15 -0.34 0.00 0.00 178.44 178.49 2kbi h PHE 1855N -0.15 0.75 -0.71 1.25 3.57 -1.04 -0.69 116.94 119.93 2kbi h PHE 1855Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2kbi h PHE 1855Cb 0.31 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2kbi h PHE 1855CO -0.28 0.38 0.23 0.00 -2.23 0.00 0.00 178.31 176.40 2kbi h ALA 1856N 1.34 0.93 -0.35 2.41 0.00 -0.98 -3.14 119.26 119.48 2kbi h ALA 1856Ca 0.31 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2kbi h ALA 1856Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2kbi h ALA 1856CO -0.16 0.61 -0.35 0.74 0.00 0.00 0.00 179.25 180.09 2kbi h PHE 1857N 1.05 1.02 0.00 0.00 -1.00 -0.43 -3.31 116.94 114.27 2kbi h PHE 1857Ca 0.23 -0.31 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 2kbi h PHE 1857Cb 0.30 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2kbi h PHE 1857CO 0.02 1.11 -0.39 1.79 -1.61 0.00 0.00 178.31 179.23 2kbi h THR 1858N 0.64 0.83 -0.98 -1.55 1.35 -1.20 -3.34 112.91 108.66 2kbi h THR 1858Ca 0.06 -1.63 0.19 0.00 -0.55 0.00 0.00 66.41 64.47 2kbi h THR 1858Cb 0.93 2.03 -0.09 0.00 -1.73 0.00 0.00 68.15 69.28 2kbi h THR 1858CO 0.09 0.38 0.61 0.11 -0.25 0.00 0.00 175.52 176.46 2kbi h LYS 1859N 0.00 0.66 -0.10 4.72 1.57 -1.63 -0.91 116.57 120.89 2kbi h LYS 1859Ca -0.00 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2kbi h LYS 1859Cb 0.99 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 2kbi h LYS 1859CO 0.05 0.44 -0.12 0.00 -0.57 0.00 0.00 179.45 179.25 2kbi h ARG 1860N 0.68 -0.15 -0.39 3.15 3.08 -1.79 -0.66 114.38 118.30 2kbi h ARG 1860Ca 0.55 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.46 2kbi h ARG 1860Cb 0.96 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2kbi h ARG 1860CO -0.32 -0.10 -0.34 0.28 -1.07 0.00 0.00 179.97 178.42 2kbi h VAL 1861N -0.16 1.28 0.00 2.04 2.07 -1.47 -2.70 116.25 117.30 2kbi h VAL 1861Ca 0.08 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2kbi h VAL 1861Cb 0.27 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2kbi h VAL 1861CO -0.19 0.50 0.00 0.18 0.02 0.00 0.00 177.57 178.08 2kbi n LEU 1862N -4.07 0.19 -0.17 2.57 4.77 -0.47 -4.86 117.00 114.97 2kbi n LEU 1862Ca -0.01 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.49 2kbi n LEU 1862Cb 0.51 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2kbi n LEU 1862CO 0.47 -0.30 -0.02 0.61 -1.33 0.00 0.00 177.39 176.82 2kbi n GLY 1863N 0.18 0.56 3.28 -0.72 0.00 -0.81 -5.01 105.19 102.66 2kbi n GLY 1863Ca 0.04 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 2kbi n GLY 1863CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbi s GLU 1864N -1.92 3.49 0.00 1.61 2.12 -0.32 -5.02 118.70 118.66 2kbi s GLU 1864Ca 0.00 -2.63 0.08 0.00 0.36 0.00 0.00 54.97 52.79 2kbi s GLU 1864Cb 0.00 -4.30 0.50 0.00 0.26 0.00 0.00 34.13 30.59 2kbi s GLU 1864CO 0.00 -1.26 0.95 -1.13 -0.54 0.00 0.00 175.26 173.28