#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 -7.52 1.61 0.13 -2.11 -3.46 132.00 120.65 2kbi h PRO -3 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2kbi h PRO -3 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 2kbi h PRO -3 CO 0.00 0.00 0.39 0.20 -0.23 0.00 0.00 178.00 178.36 2kbi s GLY -2 N -3.89 1.61 0.00 1.56 0.00 -1.26 -5.00 107.32 100.34 2kbi s GLY -2 Ca 0.06 -0.44 0.27 0.00 0.00 0.00 0.00 44.72 44.62 2kbi s GLY -2 CO 0.57 -0.01 1.90 -1.14 0.00 0.00 0.00 173.10 174.42 2kbi n SER -1 N -3.23 0.00 -1.39 1.64 3.41 -1.26 -5.06 113.62 107.73 2kbi n SER -1 Ca 0.07 0.29 0.16 0.00 -0.26 0.00 0.00 58.87 59.13 2kbi n SER -1 Cb 0.58 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 2kbi n SER -1 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2kbi n GLU 1773N -1.43 -3.25 0.25 4.33 4.07 -1.26 -4.72 120.64 118.64 2kbi n GLU 1773Ca 0.09 2.66 0.12 0.00 -0.06 0.00 0.00 57.16 59.97 2kbi n GLU 1773Cb 0.28 -3.75 0.64 0.00 -0.06 0.00 0.00 31.44 28.56 2kbi n GLU 1773CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 2kbi h ASN 1774N -1.28 0.00 -5.20 4.31 -0.73 -2.07 -3.46 115.58 107.15 2kbi h ASN 1774Ca -0.18 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.88 2kbi h ASN 1774Cb 1.31 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.75 2kbi h ASN 1774CO 0.07 0.15 -0.53 0.12 -0.37 0.00 0.00 177.43 176.87 2kbi s PHE 1775N -3.94 0.34 -1.36 0.67 5.36 -1.26 -5.08 117.98 112.71 2kbi s PHE 1775Ca -0.01 -0.82 0.03 0.00 -0.96 0.00 0.00 56.93 55.16 2kbi s PHE 1775Cb 0.12 -0.23 0.11 0.00 -0.34 0.00 0.00 43.02 42.68 2kbi s PHE 1775CO 0.59 -0.45 0.85 0.43 -1.46 0.00 0.00 175.22 175.18 2kbi n SER 1776N 0.06 1.21 0.00 6.13 7.64 -1.26 -4.61 113.62 122.79 2kbi n SER 1776Ca -0.15 -2.08 0.04 0.00 1.01 0.00 0.00 58.87 57.70 2kbi n SER 1776Cb 0.62 -0.34 0.23 0.00 -1.01 0.00 0.00 64.21 63.71 2kbi n SER 1776CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kbi n VAL 1777N -0.03 0.42 -1.71 0.44 0.24 -1.26 -4.86 118.33 111.58 2kbi n VAL 1777Ca 0.04 0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 2kbi n VAL 1777Cb 0.26 -0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 31.65 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbi n ALA 1778N -1.14 1.45 0.05 2.33 0.00 -1.26 -4.94 120.51 117.00 2kbi n ALA 1778Ca 0.05 0.37 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 2kbi n ALA 1778Cb 0.05 -2.28 0.15 0.00 0.00 0.00 0.00 19.45 17.37 2kbi n ALA 1778CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kbi h THR 1779N 2.69 1.32 -4.33 0.00 2.02 -2.03 -3.47 112.91 109.11 2kbi h THR 1779Ca -0.46 -1.63 -0.36 0.00 0.77 0.00 0.00 66.41 64.72 2kbi h THR 1779Cb 1.27 1.70 -0.14 0.00 -1.74 0.00 0.00 68.15 69.24 2kbi h THR 1779CO 0.65 0.50 -0.57 -1.83 0.37 0.00 0.00 175.52 174.64 2kbi s GLU 1780N -4.11 1.47 0.00 6.66 1.03 -1.26 -5.19 118.70 117.31 2kbi s GLU 1780Ca -0.06 -1.82 -0.07 0.00 0.03 0.00 0.00 54.97 53.05 2kbi s GLU 1780Cb 0.13 0.09 0.00 0.00 -0.80 0.00 0.00 34.13 33.55 2kbi s GLU 1780CO 0.80 -0.45 0.14 -2.00 -1.33 0.00 0.00 175.26 172.41 2kbi s GLU 1781N -3.89 0.47 -1.10 -4.83 2.12 -1.26 -5.09 118.70 105.13 2kbi s GLU 1781Ca 0.38 -0.39 -0.08 0.00 0.36 0.00 0.00 54.97 55.24 2kbi s GLU 1781Cb 0.05 0.20 -0.12 0.00 0.26 0.00 0.00 34.13 34.52 2kbi s GLU 1781CO 0.17 -0.11 2.90 0.43 -0.54 0.00 0.00 175.26 178.11 2kbi n SER 1782N 1.50 7.12 -0.01 -1.70 7.64 -1.26 -4.70 113.62 122.20 2kbi n SER 1782Ca -0.22 -2.48 0.09 0.00 1.01 0.00 0.00 58.87 57.26 2kbi n SER 1782Cb 0.56 -1.41 0.50 0.00 -1.01 0.00 0.00 64.21 62.85 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 3.43 0.01 -2.03 0.44 -2.24 -1.26 -4.95 114.28 107.68 2kbi n THR 1783Ca 0.63 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 62.03 2kbi n THR 1783Cb 0.36 -0.25 0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.99 3.25 0.00 -0.78 0.41 -1.26 -4.96 118.70 113.36 2kbi s GLU 1784Ca 0.26 1.92 0.30 0.00 -0.41 0.00 0.00 54.97 57.03 2kbi s GLU 1784Cb 0.12 -2.15 1.47 0.00 -1.78 0.00 0.00 34.13 31.78 2kbi s GLU 1784CO 0.20 -1.01 2.03 -0.35 -0.49 0.00 0.00 175.26 175.64 2kbi n PRO 1785N -1.12 0.34 -4.39 0.39 -0.04 -1.26 -4.86 135.00 124.05 2kbi n PRO 1785Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2kbi n PRO 1785Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.66 2.55 0.32 1.53 1.43 -1.26 -5.00 118.68 115.60 2kbi s LEU 1786Ca 0.26 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2kbi s LEU 1786Cb 0.20 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 2kbi s LEU 1786CO 0.47 -0.17 0.22 -0.55 0.23 0.00 0.00 176.35 176.55 2kbi s SER 1787N -3.39 1.64 0.35 2.29 0.15 -1.26 -5.06 113.70 108.41 2kbi s SER 1787Ca 0.26 -1.67 0.09 0.00 0.70 0.00 0.00 55.95 55.33 2kbi s SER 1787Cb -0.01 0.50 0.80 0.00 -1.71 0.00 0.00 66.02 65.61 2kbi s SER 1787CO 0.10 -0.99 1.85 -0.08 1.20 0.00 0.00 173.24 175.32 2kbi h GLU 1788N 2.16 0.69 -0.12 5.44 4.81 -2.02 -1.59 114.58 123.95 2kbi h GLU 1788Ca -0.29 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 2kbi h GLU 1788Cb 1.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2kbi h GLU 1788CO 0.44 0.45 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.69 2kbi h ASP 1789N 0.71 0.15 -0.19 1.04 3.32 -1.98 -1.02 116.42 118.45 2kbi h ASP 1789Ca 0.47 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.36 2kbi h ASP 1789Cb 0.76 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2kbi h ASP 1789CO -0.23 0.23 -0.44 0.44 -1.72 0.00 0.00 179.24 177.52 2kbi h ASP 1790N 0.16 0.71 -0.31 6.45 3.32 -1.70 -0.81 116.42 124.24 2kbi h ASP 1790Ca 0.04 -0.57 -0.14 0.00 0.02 0.00 0.00 57.03 56.38 2kbi h ASP 1790Cb 0.20 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2kbi h ASP 1790CO 0.01 1.15 -0.34 -0.26 -1.72 0.00 0.00 179.24 178.07 2kbi h PHE 1791N 0.30 1.00 -0.37 4.55 0.04 -1.52 -1.41 116.94 119.54 2kbi h PHE 1791Ca -0.00 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 2kbi h PHE 1791Cb 1.05 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2kbi h PHE 1791CO 0.09 1.07 0.20 0.22 -0.60 0.00 0.00 178.31 179.29 2kbi h ASP 1792N 0.71 0.47 -0.41 2.17 3.58 -1.21 -2.68 116.42 119.05 2kbi h ASP 1792Ca 0.07 -0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.48 2kbi h ASP 1792Cb 0.91 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.79 2kbi h ASP 1792CO 0.08 0.43 0.11 -0.03 -2.88 0.00 0.00 179.24 176.95 2kbi h MET 1793N 0.47 0.24 0.01 0.28 4.05 -1.07 -1.03 114.93 117.88 2kbi h MET 1793Ca 0.13 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2kbi h MET 1793Cb 0.07 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.76 2kbi h MET 1793CO -0.02 0.16 -0.39 0.35 0.23 0.00 0.00 176.91 177.23 2kbi h PHE 1794N 0.25 -1.11 0.00 1.39 3.04 -1.03 -0.93 116.94 118.55 2kbi h PHE 1794Ca 0.20 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.09 2kbi h PHE 1794Cb 0.22 0.49 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 2kbi h PHE 1794CO -0.18 -0.48 -0.46 1.88 -2.02 0.00 0.00 178.31 177.04 2kbi h TYR 1795N -0.56 0.00 -0.16 0.41 0.05 -1.38 0.24 116.97 115.57 2kbi h TYR 1795Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 2kbi h TYR 1795Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 2kbi h TYR 1795CO -0.40 0.46 0.04 1.49 -1.05 0.00 0.00 178.16 178.70 2kbi h GLU 1796N 0.00 0.25 -0.07 4.88 4.81 -0.95 -3.09 114.58 120.41 2kbi h GLU 1796Ca -0.00 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 2kbi h GLU 1796Cb 0.82 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2kbi h GLU 1796CO 0.06 0.41 -0.57 0.82 -0.73 0.00 0.00 179.01 178.99 2kbi h ILE 1797N 0.06 1.38 -0.64 2.32 1.08 -1.08 -3.27 117.51 117.35 2kbi h ILE 1797Ca 0.05 -1.92 0.09 0.00 -0.39 0.00 0.00 64.86 62.69 2kbi h ILE 1797Cb 0.27 1.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.91 2kbi h ILE 1797CO 0.00 0.57 0.28 -0.25 -0.69 0.00 0.00 178.15 178.05 2kbi h TRP 1798N 0.17 0.49 -0.17 1.37 2.91 -0.92 -2.59 115.95 117.21 2kbi h TRP 1798Ca -0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.10 2kbi h TRP 1798Cb 1.06 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 2kbi h TRP 1798CO 0.02 0.16 0.16 1.49 -1.03 0.00 0.00 178.44 179.23 2kbi h GLU 1799N 0.49 0.00 0.00 2.65 4.81 -1.59 -0.55 114.58 120.39 2kbi h GLU 1799Ca 0.32 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2kbi h GLU 1799Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 2kbi h GLU 1799CO -0.28 0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 178.85 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.79 -1.63 -3.14 116.57 115.51 2kbi h LYS 1800Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2kbi h LYS 1800Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2kbi h LYS 1800CO -0.00 0.02 -0.93 1.19 -1.08 0.00 0.00 179.45 178.65 2kbi n PHE 1801N -3.13 0.00 -3.43 -1.35 3.72 -0.52 -4.78 117.46 107.98 2kbi n PHE 1801Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2kbi n PHE 1801Cb 0.28 -0.07 -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 -1.50 3.93 0.18 4.37 2.03 -0.33 -4.88 116.55 120.35 2kbi n ASP 1802Ca -0.00 -3.42 0.14 0.00 0.52 0.00 0.00 54.79 52.02 2kbi n ASP 1802Cb 0.10 -0.73 0.53 0.00 -0.72 0.00 0.00 41.12 40.30 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 4.39 0.00 0.00 -0.67 0.13 -1.84 -2.49 132.00 131.51 2kbi h PRO 1803Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kbi h PRO 1803Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2kbi h PRO 1803CO 0.87 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 2kbi n GLU 1804N -2.55 0.20 -1.60 0.86 1.02 -1.26 -4.92 120.64 112.38 2kbi n GLU 1804Ca 0.02 0.38 -0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2kbi n GLU 1804Cb 0.29 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.77 -0.33 1.24 0.62 0.00 -0.94 -4.87 120.51 114.46 2kbi n ALA 1805Ca 0.03 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.74 2kbi n ALA 1805Cb 0.26 -1.21 0.64 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.10 0.18 -1.14 0.00 5.66 -1.26 -4.89 114.28 110.72 2kbi n THR 1806Ca -0.11 0.04 -0.05 0.00 -3.05 0.00 0.00 64.05 60.89 2kbi n THR 1806Cb 0.41 -0.64 -0.02 0.00 -1.55 0.00 0.00 70.33 68.53 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 -1.23 -0.80 -4.30 1.09 1.13 -1.26 -5.03 117.38 106.98 2kbi n GLN 1807Ca 0.13 0.54 -0.20 0.00 -1.94 0.00 0.00 57.00 55.54 2kbi n GLN 1807Cb 0.17 -4.35 -0.13 0.00 0.11 0.00 0.00 30.24 26.05 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 -1.96 1.24 0.13 1.08 0.08 -1.26 -1.37 117.98 115.93 2kbi s PHE 1808Ca 0.00 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.70 2kbi s PHE 1808Cb 0.00 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 2kbi s PHE 1808CO 0.00 0.05 -0.09 0.96 -0.10 0.00 0.00 175.22 176.03 2kbi s ILE 1809N -0.98 1.06 0.45 0.64 -4.36 -0.89 -4.78 121.20 112.34 2kbi s ILE 1809Ca 0.01 -2.01 -0.22 0.00 -0.26 0.00 0.00 60.65 58.17 2kbi s ILE 1809Cb -0.09 -1.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.75 2kbi s ILE 1809CO 0.02 -0.76 1.05 -1.61 0.24 0.00 0.00 174.94 173.87 2kbi s GLU 1810N -3.70 3.96 0.45 0.37 2.02 -1.26 -0.99 118.70 119.55 2kbi s GLU 1810Ca 0.15 1.44 0.13 0.00 0.02 0.00 0.00 54.97 56.71 2kbi s GLU 1810Cb 0.03 -2.30 1.05 0.00 0.10 0.00 0.00 34.13 33.01 2kbi s GLU 1810CO -0.01 -0.31 2.05 -0.92 0.02 0.00 0.00 175.26 176.10 2kbi h TYR 1811N 1.99 0.33 0.00 1.61 3.20 -1.75 -1.28 116.97 121.07 2kbi h TYR 1811Ca -0.49 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2kbi h TYR 1811Cb 1.22 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2kbi h TYR 1811CO 0.57 0.18 0.00 0.43 -1.64 0.00 0.00 178.16 177.71 2kbi n SER 1812N -4.48 0.60 0.00 -2.11 7.64 -1.26 -2.75 113.62 111.26 2kbi n SER 1812Ca 0.05 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.65 2kbi n SER 1812Cb 0.22 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 -2.25 0.00 -0.30 0.44 0.24 -0.73 -4.72 118.33 111.02 2kbi n VAL 1813Ca 0.00 -0.31 0.05 0.00 -2.04 0.00 0.00 64.34 62.04 2kbi n VAL 1813Cb 0.11 0.82 0.25 0.00 -1.47 0.00 0.00 33.84 33.55 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 0.89 -2.09 1.34 6.46 -1.07 -0.50 115.31 120.33 2kbi h LEU 1814Ca 0.00 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2kbi h LEU 1814Cb 0.00 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 2kbi h LEU 1814CO 0.00 0.56 -0.06 0.77 -0.62 0.00 0.00 178.44 179.09 2kbi h SER 1815N 1.00 0.00 0.34 1.25 4.64 -1.84 0.76 113.55 119.70 2kbi h SER 1815Ca 0.40 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.40 2kbi h SER 1815Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 2kbi h SER 1815CO -0.15 0.06 -1.89 -0.67 -0.87 0.00 0.00 176.83 173.31 2kbi n ASP 1816N -3.41 1.01 -0.02 4.97 2.03 -0.57 -3.63 116.55 116.93 2kbi n ASP 1816Ca -0.02 0.30 -0.10 0.00 0.52 0.00 0.00 54.79 55.49 2kbi n ASP 1816Cb 0.21 -0.06 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 2kbi n ASP 1816CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2kbi h PHE 1817N 0.01 0.11 -0.55 -0.67 3.57 -0.89 -1.71 116.94 116.82 2kbi h PHE 1817Ca -0.36 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.30 2kbi h PHE 1817Cb 2.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.74 2kbi h PHE 1817CO 0.01 0.07 0.40 0.00 -2.23 0.00 0.00 178.31 176.56 2kbi h ALA 1818N 1.07 2.51 -0.01 2.41 0.00 -1.00 -1.18 119.26 123.05 2kbi h ALA 1818Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kbi h ALA 1818Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kbi h ALA 1818CO -0.04 -0.68 -0.31 -3.47 0.00 0.00 0.00 179.25 174.75 2kbi n ASP 1819N -4.36 1.80 0.08 0.00 2.03 -1.05 -1.21 116.55 113.84 2kbi n ASP 1819Ca 0.10 -1.38 0.11 0.00 0.52 0.00 0.00 54.79 54.14 2kbi n ASP 1819Cb 0.63 0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 41.27 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 -0.03 2.57 -1.25 -1.67 0.00 -0.45 -4.94 120.51 114.73 2kbi n ALA 1820Ca 0.12 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2kbi n ALA 1820Cb 0.44 -1.04 0.17 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 -5.21 1.61 0.33 0.00 1.43 -1.20 -5.03 118.68 110.60 2kbi s LEU 1821Ca -0.02 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2kbi s LEU 1821Cb 0.10 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 2kbi s LEU 1821CO 0.81 -3.08 0.39 -0.55 0.23 0.00 0.00 176.35 174.16 2kbi s SER 1822N -3.62 5.73 0.74 2.29 0.15 -1.26 -4.66 113.70 113.07 2kbi s SER 1822Ca 0.65 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.87 2kbi s SER 1822Cb -0.17 -1.17 0.05 0.00 -1.71 0.00 0.00 66.02 63.01 2kbi s SER 1822CO 0.57 -0.38 1.19 -1.61 1.20 0.00 0.00 173.24 174.21 2kbi s GLU 1823N -4.09 2.09 0.41 5.44 2.02 -1.26 -1.60 118.70 121.70 2kbi s GLU 1823Ca 0.43 1.69 0.29 0.00 0.02 0.00 0.00 54.97 57.39 2kbi s GLU 1823Cb -0.08 -1.84 1.13 0.00 0.10 0.00 0.00 34.13 33.44 2kbi s GLU 1823CO 0.29 -1.86 1.84 -1.35 0.02 0.00 0.00 175.26 174.21 2kbi h PRO 1824N -0.45 0.00 0.00 0.39 0.11 -2.00 -3.45 132.00 126.60 2kbi h PRO 1824Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2kbi h PRO 1824Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2kbi h PRO 1824CO 0.49 0.00 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.89 2kbi h LEU 1825N 0.00 0.00 -9.48 2.35 3.38 -1.89 -3.44 115.31 106.23 2kbi h LEU 1825Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2kbi h LEU 1825Cb 0.49 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.31 2kbi h LEU 1825CO 0.00 0.33 0.60 -1.14 0.09 0.00 0.00 178.44 178.32 2kbi n ARG 1826N -3.77 1.81 -3.88 1.13 3.00 -0.63 -4.98 116.66 109.34 2kbi n ARG 1826Ca -0.01 0.65 -0.32 0.00 -0.00 0.00 0.00 57.85 58.16 2kbi n ARG 1826Cb 0.42 -2.32 -0.13 0.00 0.00 0.00 0.00 32.46 30.43 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 0.33 2.93 0.50 5.15 1.09 -0.35 -4.82 121.20 126.04 2kbi s ILE 1827Ca 0.75 -3.10 -0.23 0.00 -1.10 0.00 0.00 60.65 56.97 2kbi s ILE 1827Cb -0.74 -3.00 -0.06 0.00 -1.06 0.00 0.00 42.46 37.61 2kbi s ILE 1827CO 0.46 -0.80 1.32 0.00 -0.10 0.00 0.00 174.94 175.81 2kbi s ALA 1828N -0.09 2.94 0.67 9.38 0.00 -1.26 -3.91 121.76 129.48 2kbi s ALA 1828Ca 0.16 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 2kbi s ALA 1828Cb -0.24 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2kbi s ALA 1828CO -0.02 -1.15 1.17 0.15 0.00 0.00 0.00 175.76 175.91 2kbi s LYS 1829N -2.76 2.60 0.08 0.00 1.02 -1.26 -4.03 119.74 115.39 2kbi s LYS 1829Ca 0.67 1.65 -0.31 0.00 0.02 0.00 0.00 55.97 58.01 2kbi s LYS 1829Cb -0.38 -1.90 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 2kbi s LYS 1829CO 0.46 -1.46 1.36 -1.25 -0.92 0.00 0.00 175.35 173.54 2kbi s PRO 1830N -3.80 4.33 0.00 -1.68 0.04 -1.26 -5.13 135.00 127.50 2kbi s PRO 1830Ca 0.73 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2kbi s PRO 1830Cb -0.26 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2kbi s PRO 1830CO 0.40 -0.43 0.58 0.27 0.04 0.00 0.00 177.00 177.86 2kbi n ASN 1831N 4.24 1.15 -0.33 6.66 0.23 -1.26 -4.79 115.26 121.16 2kbi n ASN 1831Ca 0.11 -1.19 0.01 0.00 -0.53 0.00 0.00 54.58 52.99 2kbi n ASN 1831Cb 0.43 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.28 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 1.03 -0.19 -3.83 3.07 -1.95 0.19 115.11 113.43 2kbi h GLN 1832Ca 0.00 -0.06 -0.07 0.00 0.09 0.00 0.00 58.65 58.61 2kbi h GLN 1832Cb 0.11 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 27.44 2kbi h GLN 1832CO 0.00 0.68 -0.16 0.82 0.09 0.00 0.00 178.83 180.27 2kbi h ILE 1833N 1.06 1.32 -0.69 1.86 2.04 -1.99 -1.97 117.51 119.14 2kbi h ILE 1833Ca 0.39 -1.29 0.07 0.00 1.00 0.00 0.00 64.86 65.03 2kbi h ILE 1833Cb 0.14 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 2kbi h ILE 1833CO -0.16 0.39 0.38 0.28 0.00 0.00 0.00 178.15 179.03 2kbi h SER 1834N 0.12 0.54 0.49 1.72 0.02 -1.75 -1.32 113.55 113.37 2kbi h SER 1834Ca 0.04 0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.85 2kbi h SER 1834Cb 0.68 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2kbi h SER 1834CO 0.04 0.34 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.23 2kbi h LEU 1835N 0.67 0.27 -1.48 5.07 3.38 -0.98 -2.68 115.31 119.56 2kbi h LEU 1835Ca 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2kbi h LEU 1835Cb 0.24 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2kbi h LEU 1835CO -0.21 0.94 0.08 0.40 0.09 0.00 0.00 178.44 179.74 2kbi h ILE 1836N 0.14 1.14 -0.00 1.22 2.04 -1.00 -2.50 117.51 118.54 2kbi h ILE 1836Ca -0.03 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2kbi h ILE 1836Cb 1.35 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2kbi h ILE 1836CO 0.12 0.17 -0.03 0.59 0.00 0.00 0.00 178.15 179.00 2kbi n ASN 1837N -4.38 0.17 -4.82 1.72 3.02 -0.53 -4.85 115.26 105.59 2kbi n ASN 1837Ca 0.01 -0.55 -0.30 0.00 -0.03 0.00 0.00 54.58 53.71 2kbi n ASN 1837Cb 0.16 -0.14 0.09 0.00 -0.61 0.00 0.00 39.78 39.28 2kbi n ASN 1837CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kbi s MET 1838N -2.36 2.02 -0.07 3.52 -1.94 -0.94 -5.00 119.30 114.53 2kbi s MET 1838Ca 0.35 0.50 0.08 0.00 -1.71 0.00 0.00 55.69 54.90 2kbi s MET 1838Cb 0.21 -1.92 0.34 0.00 2.01 0.00 0.00 34.83 35.47 2kbi s MET 1838CO 0.43 -1.63 1.12 -3.47 -0.01 0.00 0.00 175.02 171.46 2kbi n ASP 1839N -3.42 2.65 -4.69 3.03 2.03 -1.26 -5.01 116.55 109.88 2kbi n ASP 1839Ca 0.07 -2.27 -0.44 0.00 0.52 0.00 0.00 54.79 52.67 2kbi n ASP 1839Cb 0.57 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.34 3.55 -4.87 -2.67 4.77 -1.26 -5.01 117.00 111.84 2kbi n LEU 1840Ca 0.12 1.07 -0.30 0.00 -0.03 0.00 0.00 56.01 56.87 2kbi n LEU 1840Cb 0.54 -1.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.34 2kbi n LEU 1840CO 0.12 -0.05 0.85 -2.16 -1.33 0.00 0.00 177.39 174.82 2kbi s PRO 1841N 1.05 -0.03 -0.07 3.23 0.04 -1.26 -5.12 135.00 132.85 2kbi s PRO 1841Ca 0.77 -0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.32 2kbi s PRO 1841Cb -0.59 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.20 2kbi s PRO 1841CO 0.35 -2.85 -0.00 -1.64 0.04 0.00 0.00 177.00 172.89 2kbi s MET 1842N -5.89 0.66 0.31 4.56 -1.94 -1.26 -4.70 119.30 111.05 2kbi s MET 1842Ca 0.76 0.08 0.26 0.00 -1.71 0.00 0.00 55.69 55.08 2kbi s MET 1842Cb -0.03 -0.99 0.96 0.00 2.01 0.00 0.00 34.83 36.78 2kbi s MET 1842CO 0.54 -0.29 1.77 -0.39 -0.01 0.00 0.00 175.02 176.64 2kbi h VAL 1843N 6.31 0.00 0.00 -6.03 -1.51 -1.46 -3.38 116.25 110.17 2kbi h VAL 1843Ca -0.21 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2kbi h VAL 1843Cb 1.13 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 2kbi h VAL 1843CO 0.28 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.38 2kbi n SER 1844N -2.47 0.00 0.00 4.19 2.88 -1.26 -5.06 113.62 111.90 2kbi n SER 1844Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2kbi n SER 1844Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.76 0.00 0.00 0.46 0.00 -1.26 -5.02 105.19 100.13 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 -4.43 1.61 5.75 -1.26 -5.03 116.55 113.19 2kbi n ASP 1846Ca 0.00 -0.23 -0.25 0.00 -0.01 0.00 0.00 54.79 54.30 2kbi n ASP 1846Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2kbi s ARG 1847N 0.00 1.55 -0.01 0.11 0.52 -1.26 -1.92 118.95 117.94 2kbi s ARG 1847Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2kbi s ARG 1847Cb 0.00 -1.74 0.01 0.00 0.52 0.00 0.00 34.95 33.74 2kbi s ARG 1847CO 0.00 0.35 -0.00 0.42 0.02 0.00 0.00 175.30 176.09 2kbi s ILE 1848N -2.06 0.09 0.23 1.52 1.09 -0.16 -1.00 121.20 120.90 2kbi s ILE 1848Ca 0.24 0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.50 2kbi s ILE 1848Cb -0.06 -0.12 -0.09 0.00 -1.06 0.00 0.00 42.46 41.13 2kbi s ILE 1848CO 0.11 0.06 1.04 -2.28 -0.10 0.00 0.00 174.94 173.77 2kbi s HIS 1849N 0.34 3.72 0.17 3.97 5.65 -1.26 -2.10 115.29 125.79 2kbi s HIS 1849Ca -0.03 1.75 -0.18 0.00 0.25 0.00 0.00 55.06 56.85 2kbi s HIS 1849Cb -0.05 -3.17 0.10 0.00 -1.18 0.00 0.00 32.58 28.27 2kbi s HIS 1849CO -0.01 -0.21 1.66 0.00 -0.65 0.00 0.00 174.74 175.53 2kbi h MET 1851N -0.05 0.52 -0.07 0.00 1.85 -1.95 -1.50 114.93 113.74 2kbi h MET 1851Ca 0.19 -0.29 -0.10 0.00 -0.61 0.00 0.00 59.70 58.90 2kbi h MET 1851Cb 0.34 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 2kbi h MET 1851CO -0.43 0.88 -0.39 -0.44 -0.40 0.00 0.00 176.91 176.13 2kbi h ASP 1852N 0.42 0.16 -0.02 1.39 5.19 -1.89 0.80 116.42 122.47 2kbi h ASP 1852Ca 0.03 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2kbi h ASP 1852Cb 0.97 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.43 2kbi h ASP 1852CO 0.09 0.54 -0.00 0.40 -3.12 0.00 0.00 179.24 177.14 2kbi h ILE 1853N 0.13 1.30 -0.31 0.35 2.04 -1.17 -1.64 117.51 118.22 2kbi h ILE 1853Ca 0.01 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.03 2kbi h ILE 1853Cb 0.75 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 2kbi h ILE 1853CO 0.06 0.24 -0.04 0.25 0.00 0.00 0.00 178.15 178.65 2kbi h LEU 1854N -0.34 -0.21 -0.01 1.44 5.85 -1.07 -0.88 115.31 120.09 2kbi h LEU 1854Ca 0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2kbi h LEU 1854Cb 0.39 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2kbi h LEU 1854CO 0.00 -0.07 -0.31 0.15 -0.34 0.00 0.00 178.44 177.87 2kbi h PHE 1855N 0.04 -0.86 -0.27 1.25 3.57 -0.87 0.33 116.94 120.13 2kbi h PHE 1855Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2kbi h PHE 1855Cb 0.22 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2kbi h PHE 1855CO -0.26 -0.41 0.06 0.00 -2.23 0.00 0.00 178.31 175.47 2kbi h ALA 1856N 0.28 0.28 0.32 2.41 0.00 -1.05 -2.02 119.26 119.48 2kbi h ALA 1856Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2kbi h ALA 1856Cb 0.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kbi h ALA 1856CO -0.27 -0.36 -0.15 0.74 0.00 0.00 0.00 179.25 179.21 2kbi h PHE 1857N 0.16 -0.40 -0.15 0.00 -1.00 -1.01 -3.26 116.94 111.27 2kbi h PHE 1857Ca 0.12 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.84 2kbi h PHE 1857Cb 0.13 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2kbi h PHE 1857CO -0.16 -0.15 -0.15 1.79 -1.61 0.00 0.00 178.31 178.02 2kbi h THR 1858N -0.58 1.19 -0.04 -1.55 1.35 -0.91 -2.49 112.91 109.88 2kbi h THR 1858Ca -0.04 -0.86 0.01 0.00 -0.55 0.00 0.00 66.41 64.97 2kbi h THR 1858Cb 0.42 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2kbi h THR 1858CO 0.07 0.27 0.03 0.11 -0.25 0.00 0.00 175.52 175.75 2kbi h LYS 1859N 0.23 0.00 -0.26 4.72 1.57 -1.40 0.56 116.57 121.99 2kbi h LYS 1859Ca 0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 2kbi h LYS 1859Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2kbi h LYS 1859CO 0.03 0.00 -0.53 0.00 -0.57 0.00 0.00 179.45 178.38 2kbi h ARG 1860N 0.00 0.77 -0.14 3.15 2.47 -1.52 -0.89 114.38 118.22 2kbi h ARG 1860Ca 0.02 -0.48 -0.04 0.00 -1.26 0.00 0.00 59.98 58.21 2kbi h ARG 1860Cb 0.08 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2kbi h ARG 1860CO -0.00 1.11 -0.08 0.28 0.56 0.00 0.00 179.97 181.84 2kbi h VAL 1861N 0.60 1.32 0.00 2.04 2.07 -1.35 -3.22 116.25 117.71 2kbi h VAL 1861Ca 0.02 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2kbi h VAL 1861Cb 1.11 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2kbi h VAL 1861CO 0.11 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.96 2kbi h LEU 1862N -0.04 0.00 0.10 2.57 3.38 -0.98 -3.48 115.31 116.87 2kbi h LEU 1862Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2kbi h LEU 1862Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2kbi h LEU 1862CO 0.02 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.12 2kbi n GLY 1863N 0.18 0.55 0.14 0.83 0.00 -0.64 -4.95 105.19 101.31 2kbi n GLY 1863Ca 0.02 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 0.31 0.00 0.00 1.61 5.08 -1.52 -3.49 114.58 116.57 2kbi h GLU 1864Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2kbi h GLU 1864Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kbi h GLU 1864CO 0.06 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.50