#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 0.22 0.00 1.61 -0.02 -1.26 -3.65 135.00 131.91 2kbi n PRO -3 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2kbi n PRO -3 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.39 1.47 0.14 -1.23 0.00 -1.26 -4.61 105.19 101.11 2kbi n GLY -2 Ca 0.10 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2kbi n GLY -2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbi n SER -1 N 3.63 0.54 0.31 1.61 7.64 -1.24 -2.60 113.62 123.51 2kbi n SER -1 Ca 0.00 0.73 0.16 0.00 1.01 0.00 0.00 58.87 60.77 2kbi n SER -1 Cb 0.00 -0.81 0.86 0.00 -1.01 0.00 0.00 64.21 63.25 2kbi n SER -1 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2kbi h GLU 1773N 0.00 0.00 0.00 1.43 4.81 -1.81 -3.11 114.58 115.90 2kbi h GLU 1773Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kbi h GLU 1773Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2kbi h GLU 1773CO 0.00 0.00 0.06 -2.95 -0.73 0.00 0.00 179.01 175.39 2kbi h ASN 1774N 0.00 0.00 -5.22 1.04 7.08 -1.88 -3.43 115.58 113.17 2kbi h ASN 1774Ca 0.00 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.11 2kbi h ASN 1774Cb 0.45 0.00 -0.15 0.00 -2.08 0.00 0.00 38.32 36.54 2kbi h ASN 1774CO 0.00 0.00 -0.62 0.12 -2.08 0.00 0.00 177.43 174.85 2kbi s PHE 1775N -3.62 0.44 -0.20 4.14 5.36 -1.18 -5.07 117.98 117.85 2kbi s PHE 1775Ca -0.03 -0.96 -0.05 0.00 -0.96 0.00 0.00 56.93 54.93 2kbi s PHE 1775Cb 0.07 -0.32 -0.17 0.00 -0.34 0.00 0.00 43.02 42.26 2kbi s PHE 1775CO 0.22 -0.41 2.68 0.43 -1.46 0.00 0.00 175.22 176.68 2kbi n SER 1776N 0.09 4.19 0.23 6.13 7.64 -1.26 -4.71 113.62 125.92 2kbi n SER 1776Ca -0.14 -2.24 0.16 0.00 1.01 0.00 0.00 58.87 57.66 2kbi n SER 1776Cb 0.61 -1.06 0.80 0.00 -1.01 0.00 0.00 64.21 63.55 2kbi n SER 1776CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kbi h VAL 1777N 2.46 0.00 0.00 0.44 -1.51 -1.94 -3.17 116.25 112.53 2kbi h VAL 1777Ca 0.22 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 2kbi h VAL 1777Cb 0.94 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2kbi h VAL 1777CO 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.86 2kbi n ALA 1778N -1.90 2.09 -3.45 5.19 0.00 -1.26 -4.55 120.51 116.63 2kbi n ALA 1778Ca -0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 2kbi n ALA 1778Cb 0.09 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.99 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 -3.15 -0.23 -0.65 0.00 2.01 -1.20 -5.04 115.64 107.38 2kbi s THR 1779Ca 0.09 -0.75 0.24 0.00 0.31 0.00 0.00 61.69 61.58 2kbi s THR 1779Cb 0.12 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.69 2kbi s THR 1779CO 0.52 -0.62 1.29 -1.84 -0.69 0.00 0.00 174.62 173.28 2kbi n GLU 1780N 5.05 0.28 0.00 4.92 0.28 -1.26 -4.54 120.64 125.36 2kbi n GLU 1780Ca -0.01 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2kbi n GLU 1780Cb 0.44 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.64 2kbi n GLU 1780CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kbi n GLU 1781N -2.06 0.15 -3.62 3.44 4.07 -1.26 -5.07 120.64 116.29 2kbi n GLU 1781Ca 0.03 -0.36 -0.23 0.00 -0.06 0.00 0.00 57.16 56.55 2kbi n GLU 1781Cb 0.43 -0.60 0.01 0.00 -0.06 0.00 0.00 31.44 31.23 2kbi n GLU 1781CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2kbi n SER 1782N -0.04 -5.61 -0.61 4.31 7.64 -1.26 -4.86 113.62 113.19 2kbi n SER 1782Ca 0.00 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.08 2kbi n SER 1782Cb 0.31 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.53 2kbi n SER 1782CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2kbi n THR 1783N -3.07 0.18 -1.67 0.44 -2.24 -1.26 -4.94 114.28 101.72 2kbi n THR 1783Ca -0.17 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 2kbi n THR 1783Cb 0.61 -0.52 0.05 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.19 1.11 0.18 -0.78 4.71 -1.26 -4.95 120.64 119.85 2kbi n GLU 1784Ca 0.00 0.42 0.06 0.00 -0.01 0.00 0.00 57.16 57.63 2kbi n GLU 1784Cb 0.25 -2.33 0.29 0.00 -1.01 0.00 0.00 31.44 28.64 2kbi n GLU 1784CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2kbi h PRO 1785N 0.70 0.00 -4.44 3.49 0.13 -1.92 -3.47 132.00 126.50 2kbi h PRO 1785Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2kbi h PRO 1785Cb 1.35 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.33 2kbi h PRO 1785CO 0.53 0.38 -0.66 -0.51 -0.23 0.00 0.00 178.00 177.50 2kbi s LEU 1786N -6.88 2.03 0.23 1.56 1.43 -1.26 -4.95 118.68 110.85 2kbi s LEU 1786Ca 0.01 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2kbi s LEU 1786Cb 0.10 0.21 -0.05 0.00 0.03 0.00 0.00 46.19 46.48 2kbi s LEU 1786CO 0.69 -0.66 0.07 -0.44 0.23 0.00 0.00 176.35 176.24 2kbi s SER 1787N -3.03 1.12 0.37 2.29 0.01 -1.26 -5.07 113.70 108.13 2kbi s SER 1787Ca 0.19 -1.33 0.09 0.00 1.31 0.00 0.00 55.95 56.21 2kbi s SER 1787Cb 0.07 0.17 0.83 0.00 0.21 0.00 0.00 66.02 67.30 2kbi s SER 1787CO -0.01 -0.70 1.93 -0.08 0.41 0.00 0.00 173.24 174.79 2kbi h GLU 1788N 2.49 0.64 0.00 12.44 4.81 -2.02 -2.43 114.58 130.50 2kbi h GLU 1788Ca -0.38 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2kbi h GLU 1788Cb 1.24 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2kbi h GLU 1788CO 0.61 0.43 -0.09 0.22 -0.73 0.00 0.00 179.01 179.44 2kbi h ASP 1789N 0.66 0.00 -0.37 1.04 3.58 -1.99 -3.04 116.42 116.30 2kbi h ASP 1789Ca 0.36 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.73 2kbi h ASP 1789Cb 0.49 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2kbi h ASP 1789CO -0.13 0.09 -0.06 0.44 -2.88 0.00 0.00 179.24 176.70 2kbi h ASP 1790N 0.00 0.69 -0.50 2.28 3.32 -1.85 -0.43 116.42 119.93 2kbi h ASP 1790Ca -0.00 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.61 2kbi h ASP 1790Cb 0.18 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2kbi h ASP 1790CO 0.01 0.87 -0.03 -0.26 -1.72 0.00 0.00 179.24 178.11 2kbi h PHE 1791N 0.49 0.99 -0.40 4.55 0.04 -1.68 -1.98 116.94 118.95 2kbi h PHE 1791Ca 0.10 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 2kbi h PHE 1791Cb 0.56 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2kbi h PHE 1791CO 0.05 0.94 0.20 0.22 -0.60 0.00 0.00 178.31 179.11 2kbi h ASP 1792N 0.76 0.53 -0.82 2.17 3.58 -1.45 -2.81 116.42 118.38 2kbi h ASP 1792Ca 0.14 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.51 2kbi h ASP 1792Cb 0.56 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.42 2kbi h ASP 1792CO 0.03 0.50 0.51 -0.03 -2.88 0.00 0.00 179.24 177.38 2kbi h MET 1793N 0.51 0.95 0.33 0.28 4.05 -1.01 -0.78 114.93 119.26 2kbi h MET 1793Ca 0.14 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2kbi h MET 1793Cb 0.11 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 2kbi h MET 1793CO -0.02 0.63 -0.38 0.35 0.23 0.00 0.00 176.91 177.72 2kbi h PHE 1794N 0.97 -1.03 0.00 1.39 3.04 -1.18 -2.09 116.94 118.03 2kbi h PHE 1794Ca 0.34 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.23 2kbi h PHE 1794Cb 0.08 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 2kbi h PHE 1794CO -0.03 -0.52 -0.35 1.88 -2.02 0.00 0.00 178.31 177.27 2kbi h TYR 1795N -0.75 0.00 0.02 0.41 0.05 -1.32 -0.09 116.97 115.30 2kbi h TYR 1795Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kbi h TYR 1795Cb 0.69 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.43 2kbi h TYR 1795CO -0.24 0.35 -0.01 1.49 -1.05 0.00 0.00 178.16 178.70 2kbi h GLU 1796N 0.00 -0.03 0.00 4.88 4.81 -1.02 -3.18 114.58 120.04 2kbi h GLU 1796Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2kbi h GLU 1796Cb 0.63 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2kbi h GLU 1796CO 0.04 0.06 -0.66 0.82 -0.73 0.00 0.00 179.01 178.54 2kbi h ILE 1797N -0.11 1.46 -0.86 2.32 1.08 -1.17 -3.25 117.51 116.96 2kbi h ILE 1797Ca -0.00 -2.29 0.12 0.00 -0.39 0.00 0.00 64.86 62.30 2kbi h ILE 1797Cb 0.10 2.24 -0.08 0.00 -3.07 0.00 0.00 36.82 36.01 2kbi h ILE 1797CO 0.01 0.65 0.49 -0.25 -0.69 0.00 0.00 178.15 178.35 2kbi h TRP 1798N 0.00 0.87 0.00 1.37 2.91 -1.00 -2.34 115.95 117.76 2kbi h TRP 1798Ca -0.01 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2kbi h TRP 1798Cb 1.19 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2kbi h TRP 1798CO 0.00 0.30 -0.03 1.49 -1.03 0.00 0.00 178.44 179.17 2kbi h GLU 1799N 0.75 0.00 0.00 2.65 4.81 -1.59 -0.72 114.58 120.49 2kbi h GLU 1799Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2kbi h GLU 1799Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2kbi h GLU 1799CO -0.30 0.03 0.00 0.87 -0.73 0.00 0.00 179.01 178.88 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.79 -1.60 -2.63 116.57 116.04 2kbi h LYS 1800Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2kbi h LYS 1800Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2kbi h LYS 1800CO 0.00 0.00 -1.15 1.19 -1.08 0.00 0.00 179.45 178.41 2kbi n PHE 1801N -3.01 0.00 -3.41 -1.35 3.72 -0.67 -4.78 117.46 107.96 2kbi n PHE 1801Ca 0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 2kbi n PHE 1801Cb 0.31 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.68 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 -1.68 2.59 0.24 4.37 2.03 -0.36 -4.94 116.55 118.81 2kbi n ASP 1802Ca -0.01 -3.18 0.16 0.00 0.52 0.00 0.00 54.79 52.27 2kbi n ASP 1802Cb 0.15 -0.67 0.59 0.00 -0.72 0.00 0.00 41.12 40.47 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 4.33 0.00 0.00 -0.67 0.13 -1.73 -2.50 132.00 131.55 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 -2.94 0.02 -1.74 0.86 -0.58 -1.26 -4.95 120.64 110.06 2kbi n GLU 1804Ca 0.01 0.11 -0.17 0.00 -0.42 0.00 0.00 57.16 56.69 2kbi n GLU 1804Cb 0.32 -1.52 -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 -0.37 0.45 0.62 0.00 -0.94 -4.89 120.51 113.86 2kbi n ALA 1805Ca 0.06 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.81 2kbi n ALA 1805Cb 0.28 -1.79 0.32 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.56 1.04 -1.50 0.00 -2.24 -1.26 -4.90 114.28 102.86 2kbi n THR 1806Ca -0.18 0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 2kbi n THR 1806Cb 0.59 -1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.60 -0.50 -4.10 -0.78 1.13 -1.26 -5.03 117.38 105.24 2kbi n GLN 1807Ca 0.03 0.61 -0.14 0.00 -1.94 0.00 0.00 57.00 55.55 2kbi n GLN 1807Cb 0.17 -4.43 -0.11 0.00 0.11 0.00 0.00 30.24 25.97 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 -2.28 0.85 0.11 1.08 0.08 -1.26 -0.80 117.98 115.75 2kbi s PHE 1808Ca 0.00 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.54 2kbi s PHE 1808Cb 0.00 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2kbi s PHE 1808CO 0.00 -0.04 -0.01 0.96 -0.10 0.00 0.00 175.22 176.02 2kbi s ILE 1809N -1.51 0.42 0.47 0.64 -4.36 -0.93 -4.82 121.20 111.11 2kbi s ILE 1809Ca -0.06 -1.90 -0.19 0.00 -0.26 0.00 0.00 60.65 58.23 2kbi s ILE 1809Cb -0.09 -1.81 -0.09 0.00 1.25 0.00 0.00 42.46 41.72 2kbi s ILE 1809CO 0.01 -0.74 0.98 -1.61 0.24 0.00 0.00 174.94 173.82 2kbi s GLU 1810N -3.92 4.01 0.50 0.37 2.02 -1.26 -0.97 118.70 119.44 2kbi s GLU 1810Ca 0.16 1.14 0.14 0.00 0.02 0.00 0.00 54.97 56.42 2kbi s GLU 1810Cb 0.07 -2.14 1.18 0.00 0.10 0.00 0.00 34.13 33.34 2kbi s GLU 1810CO -0.03 -0.22 2.13 -0.92 0.02 0.00 0.00 175.26 176.24 2kbi h TYR 1811N 1.50 0.10 0.00 1.61 3.20 -1.60 -1.63 116.97 120.16 2kbi h TYR 1811Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2kbi h TYR 1811Cb 1.19 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2kbi h TYR 1811CO 0.61 0.07 0.00 0.77 -1.64 0.00 0.00 178.16 177.97 2kbi h SER 1812N 0.11 0.00 0.00 -2.11 0.02 -1.94 -2.75 113.55 106.89 2kbi h SER 1812Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2kbi h SER 1812Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2kbi h SER 1812CO -0.01 0.00 -0.11 1.33 -1.14 0.00 0.00 176.83 176.91 2kbi n VAL 1813N -2.69 0.00 -0.31 2.27 0.24 -0.79 -4.70 118.33 112.35 2kbi n VAL 1813Ca -0.01 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.34 61.80 2kbi n VAL 1813Cb 0.11 0.98 0.08 0.00 -1.47 0.00 0.00 33.84 33.54 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 1.01 -1.63 1.34 6.46 -1.00 -0.01 115.31 121.48 2kbi h LEU 1814Ca 0.00 -0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2kbi h LEU 1814Cb 0.04 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2kbi h LEU 1814CO 0.00 0.78 -0.14 0.77 -0.62 0.00 0.00 178.44 179.23 2kbi h SER 1815N 1.15 0.06 0.43 1.25 4.64 -1.84 0.47 113.55 119.71 2kbi h SER 1815Ca 0.30 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.32 2kbi h SER 1815Cb -0.04 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2kbi h SER 1815CO -0.06 0.21 -1.30 -0.78 -0.87 0.00 0.00 176.83 174.04 2kbi h ASP 1816N 0.06 0.62 -0.02 4.97 3.58 -1.70 -3.13 116.42 120.81 2kbi h ASP 1816Ca 0.01 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2kbi h ASP 1816Cb 0.29 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2kbi h ASP 1816CO 0.02 1.49 0.01 0.15 -2.88 0.00 0.00 179.24 178.02 2kbi h PHE 1817N 0.13 0.01 -0.90 0.28 3.57 -0.79 -2.70 116.94 116.54 2kbi h PHE 1817Ca -0.18 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.50 2kbi h PHE 1817Cb 2.00 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 40.63 2kbi h PHE 1817CO 0.09 0.01 0.48 0.00 -2.23 0.00 0.00 178.31 176.65 2kbi h ALA 1818N 1.01 1.42 0.00 2.41 0.00 -1.00 -1.25 119.26 121.85 2kbi h ALA 1818Ca 0.01 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2kbi h ALA 1818Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2kbi h ALA 1818CO -0.01 -0.13 -0.32 0.22 0.00 0.00 0.00 179.25 179.01 2kbi h ASP 1819N 0.62 0.00 0.54 0.00 3.58 -1.47 -0.14 116.42 119.54 2kbi h ASP 1819Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2kbi h ASP 1819Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kbi h ASP 1819CO -0.40 0.32 -0.47 0.00 -2.88 0.00 0.00 179.24 175.80 2kbi n ALA 1820N -2.23 3.46 -1.58 -0.78 0.00 -0.48 -4.81 120.51 114.10 2kbi n ALA 1820Ca 0.01 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2kbi n ALA 1820Cb 0.54 -1.14 0.14 0.00 0.00 0.00 0.00 19.45 18.98 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 -3.01 2.05 0.48 0.00 1.43 -1.18 -5.02 118.68 113.41 2kbi s LEU 1821Ca 0.11 0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 54.05 2kbi s LEU 1821Cb 0.18 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2kbi s LEU 1821CO 0.69 -2.57 0.77 -0.44 0.23 0.00 0.00 176.35 175.03 2kbi s SER 1822N -4.14 6.19 0.68 2.29 0.01 -1.26 -4.70 113.70 112.77 2kbi s SER 1822Ca 0.65 0.84 -0.16 0.00 1.31 0.00 0.00 55.95 58.59 2kbi s SER 1822Cb -0.13 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.96 2kbi s SER 1822CO 0.53 -0.60 1.19 -1.61 0.41 0.00 0.00 173.24 173.15 2kbi s GLU 1823N -4.72 2.49 0.07 12.44 2.02 -1.26 -1.84 118.70 127.90 2kbi s GLU 1823Ca 0.47 1.69 0.27 0.00 0.02 0.00 0.00 54.97 57.43 2kbi s GLU 1823Cb -0.10 -1.88 0.97 0.00 0.10 0.00 0.00 34.13 33.22 2kbi s GLU 1823CO 0.44 -1.55 1.79 -0.35 0.02 0.00 0.00 175.26 175.60 2kbi n PRO 1824N -2.38 0.10 0.14 0.39 -0.04 -1.26 -4.86 135.00 127.09 2kbi n PRO 1824Ca 0.13 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.65 2kbi n PRO 1824Cb 0.50 -1.60 0.22 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.06-10.22 1.53 3.38 -1.83 -3.46 115.31 104.77 2kbi h LEU 1825Ca 0.00 -0.03 -0.48 0.00 0.09 0.00 0.00 57.88 57.46 2kbi h LEU 1825Cb 0.59 -0.02 0.20 0.00 0.09 0.00 0.00 40.66 41.52 2kbi h LEU 1825CO 0.00 0.58 0.12 0.00 0.09 0.00 0.00 178.44 179.23 2kbi s ARG 1826N -3.85 0.07 -0.30 1.13 1.04 -0.77 -4.91 118.95 111.36 2kbi s ARG 1826Ca -0.02 1.12 -0.03 0.00 -1.04 0.00 0.00 55.73 55.76 2kbi s ARG 1826Cb 0.13 -1.65 0.10 0.00 -2.04 0.00 0.00 34.95 31.50 2kbi s ARG 1826CO 0.76 -3.14 0.13 0.42 -0.04 0.00 0.00 175.30 173.42 2kbi s ILE 1827N -2.58 0.29 0.40 4.99 1.09 -0.06 -4.92 121.20 120.40 2kbi s ILE 1827Ca 0.67 -1.08 -0.27 0.00 -1.10 0.00 0.00 60.65 58.88 2kbi s ILE 1827Cb -0.23 -1.24 -0.09 0.00 -1.06 0.00 0.00 42.46 39.84 2kbi s ILE 1827CO 0.61 -0.73 1.36 0.00 -0.10 0.00 0.00 174.94 176.07 2kbi s ALA 1828N 1.83 3.34 0.66 9.38 0.00 -1.26 -3.18 121.76 132.52 2kbi s ALA 1828Ca 0.10 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 2kbi s ALA 1828Cb -0.17 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2kbi s ALA 1828CO -0.30 -0.91 1.29 0.15 0.00 0.00 0.00 175.76 175.99 2kbi s LYS 1829N -2.20 2.50 0.07 0.00 1.02 -1.26 -3.96 119.74 115.91 2kbi s LYS 1829Ca 0.56 2.05 -0.31 0.00 0.02 0.00 0.00 55.97 58.29 2kbi s LYS 1829Cb -0.41 -1.84 -0.07 0.00 -0.52 0.00 0.00 37.83 35.00 2kbi s LYS 1829CO 0.53 -1.64 1.33 -1.25 -0.92 0.00 0.00 175.35 173.40 2kbi s PRO 1830N -3.42 4.35 0.00 -1.68 0.04 -1.26 -5.13 135.00 127.89 2kbi s PRO 1830Ca 0.82 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.80 2kbi s PRO 1830Cb -0.37 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2kbi s PRO 1830CO 0.40 -0.41 0.23 0.27 0.04 0.00 0.00 177.00 177.53 2kbi n ASN 1831N 4.30 0.47 -0.31 6.66 0.23 -1.25 -4.79 115.26 120.56 2kbi n ASN 1831Ca 0.11 -0.73 0.03 0.00 -0.53 0.00 0.00 54.58 53.46 2kbi n ASN 1831Cb 0.44 0.50 0.17 0.00 -2.08 0.00 0.00 39.78 38.81 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 0.89 -0.39 -3.83 3.07 -1.94 -0.93 115.11 111.98 2kbi h GLN 1832Ca 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 2kbi h GLN 1832Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 27.48 27.35 2kbi h GLN 1832CO 0.00 0.59 0.12 0.82 0.09 0.00 0.00 178.83 180.44 2kbi h ILE 1833N 0.91 1.22 -0.06 1.86 2.04 -1.99 -0.72 117.51 120.77 2kbi h ILE 1833Ca 0.41 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2kbi h ILE 1833Cb 0.30 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2kbi h ILE 1833CO -0.22 0.25 -0.04 -1.28 0.00 0.00 0.00 178.15 176.87 2kbi h SER 1834N 0.49 -0.12 -0.81 1.72 0.87 -1.71 -1.87 113.55 112.13 2kbi h SER 1834Ca 0.13 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2kbi h SER 1834Cb 0.27 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2kbi h SER 1834CO -0.00 -0.05 0.43 -0.07 -0.53 0.00 0.00 176.83 176.60 2kbi h LEU 1835N -0.04 1.02 -1.17 2.23 3.38 -1.09 -2.30 115.31 117.34 2kbi h LEU 1835Ca 0.04 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2kbi h LEU 1835Cb 0.09 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2kbi h LEU 1835CO -0.08 0.83 0.56 0.40 0.09 0.00 0.00 178.44 180.24 2kbi h ILE 1836N 1.12 1.21 0.00 1.22 2.04 -0.98 -2.42 117.51 119.70 2kbi h ILE 1836Ca 0.28 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2kbi h ILE 1836Cb 0.05 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2kbi h ILE 1836CO -0.04 0.21 0.00 0.59 0.00 0.00 0.00 178.15 178.91 2kbi n ASN 1837N -4.41 0.18 -4.84 1.72 3.02 -0.72 -4.84 115.26 105.37 2kbi n ASN 1837Ca 0.10 0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 54.89 2kbi n ASN 1837Cb 0.03 -0.57 0.11 0.00 -0.61 0.00 0.00 39.78 38.74 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 -3.05 1.62 0.00 3.52 -1.94 -0.91 -4.99 119.30 113.55 2kbi s MET 1838Ca 0.09 0.23 0.11 0.00 -1.71 0.00 0.00 55.69 54.41 2kbi s MET 1838Cb 0.13 -1.90 0.51 0.00 2.01 0.00 0.00 34.83 35.58 2kbi s MET 1838CO 0.41 -1.85 1.35 -3.47 -0.01 0.00 0.00 175.02 171.44 2kbi n ASP 1839N -3.52 0.58 -4.60 3.03 2.03 -1.26 -4.97 116.55 107.85 2kbi n ASP 1839Ca 0.07 -1.78 -0.55 0.00 0.52 0.00 0.00 54.79 53.05 2kbi n ASP 1839Cb 0.60 -0.06 -0.07 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.28 2.25 -4.83 -2.67 4.77 -1.26 -4.99 117.00 109.99 2kbi n LEU 1840Ca 0.09 0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 2kbi n LEU 1840Cb 0.12 -1.17 0.22 0.00 -2.33 0.00 0.00 43.42 40.26 2kbi n LEU 1840CO 0.07 -0.52 0.81 -2.16 -1.33 0.00 0.00 177.39 174.26 2kbi s PRO 1841N 4.56 -0.23 -0.03 3.23 0.04 -1.26 -5.12 135.00 136.19 2kbi s PRO 1841Ca 1.03 -0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.66 2kbi s PRO 1841Cb -1.02 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 31.78 2kbi s PRO 1841CO 0.60 -3.00 -0.05 -1.64 0.04 0.00 0.00 177.00 172.96 2kbi s MET 1842N -5.82 0.64 0.30 4.56 -1.94 -1.26 -4.70 119.30 111.09 2kbi s MET 1842Ca 0.75 -0.14 0.23 0.00 -1.71 0.00 0.00 55.69 54.82 2kbi s MET 1842Cb -0.04 -0.66 0.22 0.00 2.01 0.00 0.00 34.83 36.36 2kbi s MET 1842CO 0.54 0.01 1.35 -0.39 -0.01 0.00 0.00 175.02 176.52 2kbi h VAL 1843N 5.68 0.00 0.00 -6.03 -1.51 -1.37 -3.39 116.25 109.64 2kbi h VAL 1843Ca -0.35 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.18 2kbi h VAL 1843Cb 1.17 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 2kbi h VAL 1843CO 0.49 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.29 2kbi n SER 1844N -2.80 0.03 0.00 4.19 3.41 -1.26 -5.00 113.62 112.19 2kbi n SER 1844Ca 0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 2kbi n SER 1844Cb 0.53 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.47 0.83 0.00 5.00 0.00 -1.26 -4.85 105.19 105.37 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 2.09 0.00 0.00 0.00 173.32 175.41 2kbi n ASP 1846N 0.00 0.00 -4.44 1.61 5.68 -1.26 -5.07 116.55 113.06 2kbi n ASP 1846Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.03 2kbi n ASP 1846Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 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 1.59 -0.01 0.11 0.52 -1.26 -1.40 118.95 118.50 2kbi s ARG 1847Ca 0.00 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 2kbi s ARG 1847Cb 0.00 -1.81 0.02 0.00 0.52 0.00 0.00 34.95 33.68 2kbi s ARG 1847CO 0.00 0.37 0.01 0.42 0.02 0.00 0.00 175.30 176.12 2kbi s ILE 1848N -2.05 0.03 0.26 1.52 1.09 -0.14 -0.81 121.20 121.10 2kbi s ILE 1848Ca 0.25 0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.59 2kbi s ILE 1848Cb -0.07 -0.11 -0.09 0.00 -1.06 0.00 0.00 42.46 41.14 2kbi s ILE 1848CO 0.12 0.07 1.06 -2.28 -0.10 0.00 0.00 174.94 173.81 2kbi s HIS 1849N 0.62 3.68 0.13 3.97 5.65 -1.26 -2.20 115.29 125.88 2kbi s HIS 1849Ca -0.05 1.74 -0.32 0.00 0.25 0.00 0.00 55.06 56.68 2kbi s HIS 1849Cb -0.08 -3.21 -0.08 0.00 -1.18 0.00 0.00 32.58 28.03 2kbi s HIS 1849CO -0.02 -0.31 1.56 0.00 -0.65 0.00 0.00 174.74 175.32 2kbi h MET 1851N -0.44 0.65 -0.22 0.00 1.85 -1.95 -1.84 114.93 112.98 2kbi h MET 1851Ca 0.08 -0.16 -0.08 0.00 -0.61 0.00 0.00 59.70 58.93 2kbi h MET 1851Cb 0.62 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 2kbi h MET 1851CO -0.53 0.68 -0.20 -0.44 -0.40 0.00 0.00 176.91 176.02 2kbi h ASP 1852N 0.61 0.38 -0.11 1.39 5.19 -1.94 0.42 116.42 122.36 2kbi h ASP 1852Ca 0.12 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 2kbi h ASP 1852Cb 0.41 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 2kbi h ASP 1852CO 0.02 0.59 -0.05 0.40 -3.12 0.00 0.00 179.24 177.08 2kbi h ILE 1853N 0.35 1.32 -0.24 0.35 2.04 -1.21 -1.76 117.51 118.37 2kbi h ILE 1853Ca 0.06 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.90 2kbi h ILE 1853Cb 0.55 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 2kbi h ILE 1853CO 0.04 0.31 -0.17 0.25 0.00 0.00 0.00 178.15 178.58 2kbi h LEU 1854N -0.13 -0.55 -0.16 1.44 5.85 -1.07 -0.96 115.31 119.73 2kbi h LEU 1854Ca 0.02 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2kbi h LEU 1854Cb 0.51 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2kbi h LEU 1854CO 0.02 -0.21 -0.18 0.15 -0.34 0.00 0.00 178.44 177.87 2kbi h PHE 1855N -0.16 -0.48 -0.61 1.25 3.04 -0.93 -0.36 116.94 118.69 2kbi h PHE 1855Ca 0.13 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.15 2kbi h PHE 1855Cb 0.36 0.24 -0.04 0.00 2.56 0.00 0.00 35.95 39.07 2kbi h PHE 1855CO -0.33 -0.26 0.36 0.00 -2.02 0.00 0.00 178.31 176.06 2kbi h ALA 1856N 0.83 0.80 -0.25 2.41 0.00 -1.07 -1.90 119.26 120.09 2kbi h ALA 1856Ca 0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2kbi h ALA 1856Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kbi h ALA 1856CO -0.29 0.09 -0.48 0.74 0.00 0.00 0.00 179.25 179.30 2kbi h PHE 1857N 0.71 0.81 -0.23 0.00 -1.00 -0.78 -3.19 116.94 113.25 2kbi h PHE 1857Ca 0.25 -0.27 -0.18 0.00 2.81 0.00 0.00 57.97 60.58 2kbi h PHE 1857Cb 0.06 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 39.46 2kbi h PHE 1857CO -0.06 1.01 -0.59 1.79 -1.61 0.00 0.00 178.31 178.85 2kbi h THR 1858N 0.52 1.29 -1.00 -1.55 1.35 -1.01 -3.33 112.91 109.19 2kbi h THR 1858Ca 0.03 -1.81 0.16 0.00 -0.55 0.00 0.00 66.41 64.24 2kbi h THR 1858Cb 1.03 1.74 -0.10 0.00 -1.73 0.00 0.00 68.15 69.10 2kbi h THR 1858CO 0.10 0.58 0.62 0.11 -0.25 0.00 0.00 175.52 176.67 2kbi h LYS 1859N 0.57 0.83 -0.25 4.72 6.56 -1.33 -0.56 116.57 127.11 2kbi h LYS 1859Ca 0.00 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.57 2kbi h LYS 1859Cb 1.18 -0.19 -0.06 0.00 -0.57 0.00 0.00 32.23 32.60 2kbi h LYS 1859CO 0.12 0.55 -0.44 0.00 -2.06 0.00 0.00 179.45 177.62 2kbi h ARG 1860N 0.86 -0.35 -0.70 3.15 3.08 -1.66 -1.24 114.38 117.51 2kbi h ARG 1860Ca 0.54 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.56 2kbi h ARG 1860Cb 0.73 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2kbi h ARG 1860CO -0.34 -0.24 0.19 0.28 -1.07 0.00 0.00 179.97 178.80 2kbi h VAL 1861N -0.37 1.26 0.00 2.04 2.07 -1.49 -2.62 116.25 117.14 2kbi h VAL 1861Ca 0.05 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2kbi h VAL 1861Cb 0.49 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2kbi h VAL 1861CO -0.43 0.36 0.00 -0.07 0.02 0.00 0.00 177.57 177.45 2kbi h LEU 1862N 1.04 0.00 0.00 2.57 3.38 -0.98 -3.46 115.31 117.87 2kbi h LEU 1862Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kbi h LEU 1862Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2kbi h LEU 1862CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2kbi n GLY 1863N -0.58 -0.71 0.25 0.83 0.00 -0.86 -5.04 105.19 99.07 2kbi n GLY 1863Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2kbi n GLY 1863CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kbi h GLU 1864N 0.00 0.00 0.00 1.61 4.39 -1.11 -3.49 114.58 115.98 2kbi h GLU 1864Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kbi h GLU 1864Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2kbi h GLU 1864CO 0.00 0.08 0.00 0.43 -1.16 0.00 0.00 179.01 178.36