#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 0.13 -2.00 -3.47 132.00 128.26 2kbi h PRO -3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kbi h PRO -3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kbi h PRO -3 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 2kbi n GLY -2 N 0.44 0.90 0.00 1.56 0.00 -1.26 -4.86 105.19 101.97 2kbi n GLY -2 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.06 -3.89 1.61 7.64 -1.26 -5.09 113.62 113.69 2kbi n SER -1 Ca 0.00 -1.51 -0.13 0.00 1.01 0.00 0.00 58.87 58.24 2kbi n SER -1 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2kbi n SER -1 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kbi s GLU 1773N -0.51 1.46 -1.15 1.43 0.41 -1.26 -5.07 118.70 114.01 2kbi s GLU 1773Ca 0.00 -1.64 -0.08 0.00 -0.41 0.00 0.00 54.97 52.83 2kbi s GLU 1773Cb 0.00 0.34 -0.07 0.00 -1.78 0.00 0.00 34.13 32.63 2kbi s GLU 1773CO 0.00 -0.54 2.37 -1.71 -0.49 0.00 0.00 175.26 174.89 2kbi n ASN 1774N -0.66 5.94 0.21 -0.19 5.15 -1.26 -4.64 115.26 119.81 2kbi n ASN 1774Ca 0.02 -2.44 0.15 0.00 -0.60 0.00 0.00 54.58 51.71 2kbi n ASN 1774Cb 0.64 -1.27 0.66 0.00 -0.53 0.00 0.00 39.78 39.29 2kbi n ASN 1774CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2kbi h PHE 1775N 5.99 0.00 0.00 1.20 3.57 -2.00 -3.31 116.94 122.39 2kbi h PHE 1775Ca 0.61 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.11 2kbi h PHE 1775Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2kbi h PHE 1775CO 1.87 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 178.38 2kbi n SER 1776N -2.65 0.28 0.23 0.41 7.64 -1.26 -2.06 113.62 116.21 2kbi n SER 1776Ca 0.00 0.62 0.16 0.00 1.01 0.00 0.00 58.87 60.66 2kbi n SER 1776Cb 0.21 -0.66 0.83 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.00 0.00 0.00 0.44 -1.51 -1.89 -0.01 116.25 113.28 2kbi h VAL 1777Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2kbi h VAL 1777Cb 0.07 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 29.92 2kbi h VAL 1777CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 2kbi n ALA 1778N -1.89 1.73 0.00 5.19 0.00 -0.88 -4.21 120.51 120.45 2kbi n ALA 1778Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kbi n ALA 1778Cb 0.05 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2kbi n ALA 1778CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kbi n THR 1779N -1.60 0.00 -1.58 0.00 -1.04 -0.34 -5.09 114.28 104.63 2kbi n THR 1779Ca 0.04 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.71 2kbi n THR 1779Cb 0.20 -0.37 0.07 0.00 -1.82 0.00 0.00 70.33 68.41 2kbi n THR 1779CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2kbi s GLU 1780N -1.57 2.40 -0.16 -2.82 2.12 -0.17 -4.94 118.70 113.56 2kbi s GLU 1780Ca 0.00 1.66 -0.28 0.00 0.36 0.00 0.00 54.97 56.71 2kbi s GLU 1780Cb 0.00 -1.88 -0.06 0.00 0.26 0.00 0.00 34.13 32.46 2kbi s GLU 1780CO 0.00 -1.61 2.16 -2.00 -0.54 0.00 0.00 175.26 173.27 2kbi s GLU 1781N -3.91 3.35 0.00 4.30 2.12 -1.26 -4.85 118.70 118.45 2kbi s GLU 1781Ca 0.72 2.15 0.00 0.00 0.36 0.00 0.00 54.97 58.20 2kbi s GLU 1781Cb -0.27 -4.33 0.00 0.00 0.26 0.00 0.00 34.13 29.80 2kbi s GLU 1781CO 0.43 -1.86 0.76 0.45 -0.54 0.00 0.00 175.26 174.50 2kbi n SER 1782N 10.79 1.14 -4.31 -1.70 2.88 -1.26 -5.08 113.62 116.09 2kbi n SER 1782Ca 0.28 -1.55 -0.17 0.00 -1.33 0.00 0.00 58.87 56.09 2kbi n SER 1782Cb 0.44 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 2kbi n SER 1782CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2kbi s THR 1783N -0.55 1.52 0.06 2.46 -4.23 -1.26 -5.18 115.64 108.46 2kbi s THR 1783Ca 0.00 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 2kbi s THR 1783Cb 0.00 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 2kbi s THR 1783CO 0.00 -0.62 0.02 -1.61 -0.54 0.00 0.00 174.62 171.87 2kbi s GLU 1784N -3.57 0.66 0.00 3.99 2.02 -1.26 -5.06 118.70 115.48 2kbi s GLU 1784Ca 0.19 -1.16 0.22 0.00 0.02 0.00 0.00 54.97 54.25 2kbi s GLU 1784Cb -0.00 0.24 0.99 0.00 0.10 0.00 0.00 34.13 35.46 2kbi s GLU 1784CO 0.04 -0.15 1.72 -0.35 0.02 0.00 0.00 175.26 176.55 2kbi n PRO 1785N 0.07 0.05 -4.23 0.39 -0.04 -1.26 -4.79 135.00 125.20 2kbi n PRO 1785Ca -0.14 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2kbi n PRO 1785Cb 0.61 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.93 2.50 0.23 1.53 1.43 -1.26 -5.03 118.68 115.14 2kbi s LEU 1786Ca 0.13 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 2kbi s LEU 1786Cb 0.15 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 2kbi s LEU 1786CO 0.40 -0.31 0.18 -0.55 0.23 0.00 0.00 176.35 176.29 2kbi s SER 1787N -2.96 0.53 0.62 2.29 0.15 -1.26 -5.05 113.70 108.02 2kbi s SER 1787Ca 0.13 -1.47 0.36 0.00 0.70 0.00 0.00 55.95 55.67 2kbi s SER 1787Cb 0.01 0.43 2.06 0.00 -1.71 0.00 0.00 66.02 66.81 2kbi s SER 1787CO 0.00 -0.90 2.30 -0.33 1.20 0.00 0.00 173.24 175.51 2kbi h GLU 1788N 2.49 0.00 -0.68 5.44 5.08 -2.02 -1.72 114.58 123.17 2kbi h GLU 1788Ca -0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2kbi h GLU 1788Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2kbi h GLU 1788CO 0.48 0.00 0.28 0.22 -1.00 0.00 0.00 179.01 178.99 2kbi h ASP 1789N 0.00 0.91 -0.24 1.42 3.58 -1.98 0.40 116.42 120.50 2kbi h ASP 1789Ca 0.00 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.18 2kbi h ASP 1789Cb 0.02 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2kbi h ASP 1789CO -0.00 0.80 -0.38 0.44 -2.88 0.00 0.00 179.24 177.23 2kbi h ASP 1790N 0.97 0.83 -0.26 2.28 3.32 -1.72 -1.53 116.42 120.31 2kbi h ASP 1790Ca 0.23 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.76 2kbi h ASP 1790Cb 0.18 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2kbi h ASP 1790CO -0.02 1.11 -0.41 -0.26 -1.72 0.00 0.00 179.24 177.94 2kbi h PHE 1791N 0.65 0.92 -0.58 4.55 0.04 -1.45 -1.31 116.94 119.76 2kbi h PHE 1791Ca 0.06 -0.31 0.03 0.00 2.80 0.00 0.00 57.97 60.54 2kbi h PHE 1791Cb 0.93 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.87 2kbi h PHE 1791CO 0.05 1.10 0.35 0.22 -0.60 0.00 0.00 178.31 179.43 2kbi h ASP 1792N 0.48 0.57 -0.13 2.17 3.58 -0.93 -0.89 116.42 121.28 2kbi h ASP 1792Ca 0.02 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.51 2kbi h ASP 1792Cb 1.01 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.90 2kbi h ASP 1792CO 0.09 0.40 -0.12 -0.03 -2.88 0.00 0.00 179.24 176.70 2kbi h MET 1793N 0.69 -0.14 -0.02 0.28 4.05 -1.24 -0.65 114.93 117.91 2kbi h MET 1793Ca 0.23 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.70 2kbi h MET 1793Cb 0.02 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 2kbi h MET 1793CO -0.10 -0.09 -0.28 0.35 0.23 0.00 0.00 176.91 177.02 2kbi h PHE 1794N -0.15 -0.75 -0.06 1.39 3.04 -0.76 -1.45 116.94 118.21 2kbi h PHE 1794Ca 0.09 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.99 2kbi h PHE 1794Cb 0.27 0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 2kbi h PHE 1794CO -0.24 -0.37 -0.30 1.88 -2.02 0.00 0.00 178.31 177.26 2kbi h TYR 1795N -0.41 0.12 0.09 0.41 0.05 -1.09 0.22 116.97 116.36 2kbi h TYR 1795Ca 0.07 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 2kbi h TYR 1795Cb 0.50 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2kbi h TYR 1795CO -0.32 0.40 -0.04 1.49 -1.05 0.00 0.00 178.16 178.64 2kbi h GLU 1796N 0.10 -0.11 -0.32 4.88 4.81 -0.85 -3.21 114.58 119.88 2kbi h GLU 1796Ca 0.01 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2kbi h GLU 1796Cb 0.58 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2kbi h GLU 1796CO 0.04 0.18 -0.16 0.82 -0.73 0.00 0.00 179.01 179.16 2kbi h ILE 1797N -0.40 1.25 -0.79 2.32 1.08 -1.14 -3.22 117.51 116.62 2kbi h ILE 1797Ca -0.01 -1.15 0.13 0.00 -0.39 0.00 0.00 64.86 63.44 2kbi h ILE 1797Cb 0.34 1.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.18 2kbi h ILE 1797CO 0.02 0.38 0.38 -0.25 -0.69 0.00 0.00 178.15 177.99 2kbi h TRP 1798N 0.53 0.67 -0.10 1.37 2.91 -0.97 -2.54 115.95 117.81 2kbi h TRP 1798Ca 0.09 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.17 2kbi h TRP 1798Cb 0.58 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.05 2kbi h TRP 1798CO 0.02 0.16 0.11 1.49 -1.03 0.00 0.00 178.44 179.19 2kbi h GLU 1799N 0.57 0.00 0.00 2.65 4.81 -1.56 -0.87 114.58 120.19 2kbi h GLU 1799Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2kbi h GLU 1799Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2kbi h GLU 1799CO -0.35 0.00 0.00 0.87 -0.73 0.00 0.00 179.01 178.80 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.57 -1.64 -3.17 116.57 115.25 2kbi h LYS 1800Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kbi h LYS 1800Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2kbi h LYS 1800CO -0.00 0.00 -0.77 1.19 -0.57 0.00 0.00 179.45 179.30 2kbi n PHE 1801N -2.95 0.00 -3.24 -1.35 3.72 -0.44 -4.75 117.46 108.45 2kbi n PHE 1801Ca 0.00 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2kbi n PHE 1801Cb 0.25 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.40 3.98 0.23 4.37 2.03 -0.54 -4.88 116.55 120.34 2kbi n ASP 1802Ca -0.00 -3.53 0.16 0.00 0.52 0.00 0.00 54.79 51.94 2kbi n ASP 1802Cb 0.04 -0.63 0.67 0.00 -0.72 0.00 0.00 41.12 40.48 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 3.73 0.00 0.00 -0.67 0.13 -1.84 -2.25 132.00 131.09 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 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2kbi h PRO 1803CO 0.83 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 2kbi n GLU 1804N -2.74 0.12 -1.32 0.86 1.02 -1.26 -4.94 120.64 112.38 2kbi n GLU 1804Ca 0.01 0.30 -0.13 0.00 -0.02 0.00 0.00 57.16 57.32 2kbi n GLU 1804Cb 0.24 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.66 -0.19 0.41 0.62 0.00 -0.85 -4.88 120.51 113.95 2kbi n ALA 1805Ca 0.03 0.20 0.10 0.00 0.00 0.00 0.00 53.44 53.78 2kbi n ALA 1805Cb 0.25 -1.46 0.44 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.90 0.90 -1.89 0.00 -2.24 -1.26 -4.89 114.28 103.00 2kbi n THR 1806Ca -0.13 0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 2kbi n THR 1806Cb 0.47 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 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 -2.04 -1.12 -4.23 -0.78 6.02 -1.26 -5.03 117.38 108.94 2kbi n GLN 1807Ca 0.02 0.86 -0.17 0.00 -0.01 0.00 0.00 57.00 57.71 2kbi n GLN 1807Cb 0.20 -5.10 -0.11 0.00 1.02 0.00 0.00 30.24 26.26 2kbi n GLN 1807CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kbi s PHE 1808N -2.65 1.32 0.15 1.08 0.40 -1.26 -0.86 117.98 116.16 2kbi s PHE 1808Ca 0.00 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2kbi s PHE 1808Cb 0.00 -0.69 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 2kbi s PHE 1808CO 0.00 0.11 -0.02 0.96 0.70 0.00 0.00 175.22 176.98 2kbi s ILE 1809N -2.32 0.68 0.31 0.64 -4.36 -0.74 -4.78 121.20 110.64 2kbi s ILE 1809Ca 0.09 -1.97 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 2kbi s ILE 1809Cb -0.04 -2.01 -0.09 0.00 1.25 0.00 0.00 42.46 41.57 2kbi s ILE 1809CO 0.02 -0.57 0.77 -1.61 0.24 0.00 0.00 174.94 173.79 2kbi s GLU 1810N -3.89 4.10 0.48 0.37 2.02 -1.26 -0.91 118.70 119.60 2kbi s GLU 1810Ca 0.21 0.79 0.14 0.00 0.02 0.00 0.00 54.97 56.13 2kbi s GLU 1810Cb 0.06 -2.50 1.14 0.00 0.10 0.00 0.00 34.13 32.93 2kbi s GLU 1810CO 0.02 0.19 2.10 -0.92 0.02 0.00 0.00 175.26 176.66 2kbi h TYR 1811N 2.48 0.18 0.00 1.61 3.20 -1.70 -1.38 116.97 121.37 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 1.18 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.39 2kbi h TYR 1811CO 0.62 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.91 2kbi h SER 1812N 0.19 0.00 0.00 -2.11 4.64 -1.94 -3.01 113.55 111.32 2kbi h SER 1812Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2kbi h SER 1812Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2kbi h SER 1812CO -0.02 0.00 -0.36 1.33 -0.87 0.00 0.00 176.83 176.91 2kbi n VAL 1813N -2.46 0.00 -0.27 0.95 0.24 -0.62 -4.68 118.33 111.49 2kbi n VAL 1813Ca -0.01 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2kbi n VAL 1813Cb 0.12 0.83 0.12 0.00 -1.47 0.00 0.00 33.84 33.44 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 0.70 -1.81 1.34 6.46 -1.15 -0.08 115.31 120.77 2kbi h LEU 1814Ca 0.00 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2kbi h LEU 1814Cb 0.02 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 2kbi h LEU 1814CO 0.00 0.45 -0.14 0.77 -0.62 0.00 0.00 178.44 178.90 2kbi h SER 1815N 0.83 0.00 0.39 1.25 4.64 -1.83 0.66 113.55 119.50 2kbi h SER 1815Ca 0.34 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.34 2kbi h SER 1815Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2kbi h SER 1815CO -0.18 0.14 -1.54 -0.78 -0.87 0.00 0.00 176.83 173.60 2kbi h ASP 1816N 0.00 0.50 -0.29 4.97 3.58 -1.69 -3.26 116.42 120.23 2kbi h ASP 1816Ca -0.00 -0.66 0.02 0.00 0.42 0.00 0.00 57.03 56.81 2kbi h ASP 1816Cb 0.27 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2kbi h ASP 1816CO 0.02 1.54 0.15 0.15 -2.88 0.00 0.00 179.24 178.22 2kbi h PHE 1817N 0.09 0.29 -0.46 0.28 3.57 -0.81 -2.37 116.94 117.52 2kbi h PHE 1817Ca -0.25 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.39 2kbi h PHE 1817Cb 2.05 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 2kbi h PHE 1817CO 0.08 0.16 0.34 0.00 -2.23 0.00 0.00 178.31 176.66 2kbi h ALA 1818N 1.14 2.44 -0.01 2.41 0.00 -0.98 -1.19 119.26 123.07 2kbi h ALA 1818Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kbi h ALA 1818Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kbi h ALA 1818CO -0.07 -0.57 -0.37 -3.47 0.00 0.00 0.00 179.25 174.77 2kbi n ASP 1819N -4.40 1.49 0.05 0.00 2.03 -1.06 -1.23 116.55 113.44 2kbi n ASP 1819Ca 0.08 -1.18 0.12 0.00 0.52 0.00 0.00 54.79 54.33 2kbi n ASP 1819Cb 0.54 0.30 0.08 0.00 -0.72 0.00 0.00 41.12 41.33 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 -0.37 3.04 -1.67 -1.67 0.00 -0.45 -4.94 120.51 114.45 2kbi n ALA 1820Ca 0.11 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 2kbi n ALA 1820Cb 0.40 -1.08 0.17 0.00 0.00 0.00 0.00 19.45 18.94 2kbi n ALA 1820CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kbi s LEU 1821N -4.28 2.13 0.32 0.00 1.43 -1.22 -5.02 118.68 112.03 2kbi s LEU 1821Ca 0.04 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 2kbi s LEU 1821Cb 0.13 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2kbi s LEU 1821CO 0.76 -2.80 0.25 -0.55 0.23 0.00 0.00 176.35 174.25 2kbi s SER 1822N -4.43 5.27 0.64 2.29 0.15 -1.26 -4.69 113.70 111.67 2kbi s SER 1822Ca 0.69 -0.47 -0.18 0.00 0.70 0.00 0.00 55.95 56.69 2kbi s SER 1822Cb -0.09 -1.04 -0.01 0.00 -1.71 0.00 0.00 66.02 63.17 2kbi s SER 1822CO 0.53 -0.28 1.25 -1.61 1.20 0.00 0.00 173.24 174.33 2kbi s GLU 1823N -3.94 2.62 0.04 5.44 2.02 -1.26 -1.55 118.70 122.07 2kbi s GLU 1823Ca 0.39 1.92 0.27 0.00 0.02 0.00 0.00 54.97 57.57 2kbi s GLU 1823Cb -0.06 -1.87 0.89 0.00 0.10 0.00 0.00 34.13 33.19 2kbi s GLU 1823CO 0.26 -1.50 1.71 -0.35 0.02 0.00 0.00 175.26 175.39 2kbi n PRO 1824N -1.95 0.07 0.22 0.39 -0.04 -1.26 -4.82 135.00 127.60 2kbi n PRO 1824Ca 0.15 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 2kbi n PRO 1824Cb 0.49 -1.56 0.51 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.00 -9.54 1.53 3.38 -1.84 -3.44 115.31 105.40 2kbi h LEU 1825Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2kbi h LEU 1825Cb 0.56 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.41 2kbi h LEU 1825CO 0.00 0.25 0.34 -1.14 0.09 0.00 0.00 178.44 177.97 2kbi n ARG 1826N -3.64 1.64 -3.86 1.13 3.00 -0.59 -4.98 116.66 109.35 2kbi n ARG 1826Ca -0.01 0.58 -0.30 0.00 -0.00 0.00 0.00 57.85 58.12 2kbi n ARG 1826Cb 0.37 -2.07 -0.14 0.00 0.00 0.00 0.00 32.46 30.62 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 -0.73 1.95 0.41 5.15 1.09 -0.36 -4.84 121.20 123.87 2kbi s ILE 1827Ca 0.62 -2.67 -0.27 0.00 -1.10 0.00 0.00 60.65 57.24 2kbi s ILE 1827Cb -0.68 -2.39 -0.09 0.00 -1.06 0.00 0.00 42.46 38.24 2kbi s ILE 1827CO 0.57 -0.78 1.40 0.00 -0.10 0.00 0.00 174.94 176.04 2kbi s ALA 1828N 0.36 3.36 0.75 9.38 0.00 -1.26 -3.91 121.76 130.44 2kbi s ALA 1828Ca 0.15 1.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.39 2kbi s ALA 1828Cb -0.23 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.38 2kbi s ALA 1828CO -0.04 -1.02 1.17 0.15 0.00 0.00 0.00 175.76 176.02 2kbi s LYS 1829N -2.24 2.11 0.22 0.00 1.02 -1.26 -4.04 119.74 115.55 2kbi s LYS 1829Ca 0.57 1.61 -0.31 0.00 0.02 0.00 0.00 55.97 57.86 2kbi s LYS 1829Cb -0.43 -1.84 -0.12 0.00 -0.52 0.00 0.00 37.83 34.92 2kbi s LYS 1829CO 0.56 -1.83 1.68 -2.14 -0.92 0.00 0.00 175.35 172.70 2kbi s PRO 1830N -4.13 4.13 0.00 -1.68 0.02 -1.26 -5.13 135.00 126.95 2kbi s PRO 1830Ca 0.71 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.30 2kbi s PRO 1830Cb -0.26 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.19 2kbi s PRO 1830CO 0.47 -0.71 0.39 0.27 -0.33 0.00 0.00 177.00 177.09 2kbi n ASN 1831N 3.59 0.77 -0.27 2.53 0.23 -1.26 -4.80 115.26 116.05 2kbi n ASN 1831Ca 0.14 -1.03 -0.01 0.00 -0.53 0.00 0.00 54.58 53.16 2kbi n ASN 1831Cb 0.36 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.18 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 0.82 -0.22 -3.83 3.07 -1.95 -0.05 115.11 112.95 2kbi h GLN 1832Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.65 2kbi h GLN 1832Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 2kbi h GLN 1832CO 0.00 0.54 -0.02 0.82 0.09 0.00 0.00 178.83 180.26 2kbi h ILE 1833N 0.85 1.27 -0.68 1.86 2.04 -1.99 -1.02 117.51 119.83 2kbi h ILE 1833Ca 0.34 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.32 2kbi h ILE 1833Cb 0.16 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.64 2kbi h ILE 1833CO -0.17 0.29 0.35 0.28 0.00 0.00 0.00 178.15 178.90 2kbi h SER 1834N 0.16 0.48 -0.17 1.72 0.02 -1.76 -1.68 113.55 112.31 2kbi h SER 1834Ca 0.06 0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 2kbi h SER 1834Cb 0.45 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.96 2kbi h SER 1834CO 0.02 0.29 -0.69 -0.07 -1.14 0.00 0.00 176.83 175.24 2kbi h LEU 1835N 0.62 0.93 -1.50 5.07 3.38 -0.96 -3.16 115.31 119.68 2kbi h LEU 1835Ca 0.32 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2kbi h LEU 1835Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2kbi h LEU 1835CO -0.23 1.36 0.38 0.40 0.09 0.00 0.00 178.44 180.44 2kbi h ILE 1836N 0.57 1.06 0.00 1.22 2.04 -0.87 -1.88 117.51 119.65 2kbi h ILE 1836Ca -0.03 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2kbi h ILE 1836Cb 1.31 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2kbi h ILE 1836CO 0.14 0.12 0.00 0.59 0.00 0.00 0.00 178.15 179.00 2kbi n ASN 1837N -4.47 0.16 -4.90 1.72 3.02 -0.66 -4.84 115.26 105.30 2kbi n ASN 1837Ca 0.07 0.54 -0.28 0.00 -0.03 0.00 0.00 54.58 54.87 2kbi n ASN 1837Cb 0.16 -0.57 0.09 0.00 -0.61 0.00 0.00 39.78 38.84 2kbi n ASN 1837CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kbi s MET 1838N -3.07 1.99 0.00 3.52 -1.94 -0.71 -5.00 119.30 114.11 2kbi s MET 1838Ca 0.08 0.03 0.05 0.00 -1.71 0.00 0.00 55.69 54.14 2kbi s MET 1838Cb 0.11 -1.99 0.14 0.00 2.01 0.00 0.00 34.83 35.10 2kbi s MET 1838CO 0.34 -1.54 1.12 -3.47 -0.01 0.00 0.00 175.02 171.45 2kbi n ASP 1839N -3.25 0.79 -4.68 3.03 2.03 -1.26 -4.98 116.55 108.23 2kbi n ASP 1839Ca 0.08 -1.99 -0.56 0.00 0.52 0.00 0.00 54.79 52.83 2kbi n ASP 1839Cb 0.61 -0.10 -0.07 0.00 -0.72 0.00 0.00 41.12 40.84 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 -0.07 2.43 -4.83 -2.67 4.77 -1.26 -4.99 117.00 110.38 2kbi n LEU 1840Ca 0.05 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 2kbi n LEU 1840Cb 0.13 -1.16 0.22 0.00 -2.33 0.00 0.00 43.42 40.28 2kbi n LEU 1840CO 0.03 -0.42 0.82 -2.16 -1.33 0.00 0.00 177.39 174.33 2kbi s PRO 1841N 3.87 -0.25 -0.24 3.23 0.04 -1.26 -5.10 135.00 135.29 2kbi s PRO 1841Ca 0.99 -0.45 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2kbi s PRO 1841Cb -1.03 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 31.84 2kbi s PRO 1841CO 0.64 -3.01 0.09 -1.64 0.04 0.00 0.00 177.00 173.12 2kbi s MET 1842N -5.84 0.41 0.44 4.56 -1.94 -1.26 -4.66 119.30 111.01 2kbi s MET 1842Ca 0.76 -0.52 0.23 0.00 -1.71 0.00 0.00 55.69 54.44 2kbi s MET 1842Cb -0.03 -1.75 1.02 0.00 2.01 0.00 0.00 34.83 36.07 2kbi s MET 1842CO 0.54 -0.83 1.88 -0.39 -0.01 0.00 0.00 175.02 176.22 2kbi h VAL 1843N 6.46 0.70 0.00 -6.03 -1.51 -1.44 -3.30 116.25 111.13 2kbi h VAL 1843Ca -0.17 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 2kbi h VAL 1843Cb 1.07 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2kbi h VAL 1843CO 0.39 0.24 0.00 -1.20 -1.23 0.00 0.00 177.57 175.76 2kbi n SER 1844N -3.57 0.60 0.00 4.19 7.64 -1.25 -5.01 113.62 116.21 2kbi n SER 1844Ca -0.01 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2kbi n SER 1844Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.10 1.15 0.00 0.23 0.00 -1.24 -4.76 105.19 100.47 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 1.22 0.00 0.00 0.00 173.32 174.54 2kbi n ASP 1846N 0.00 0.00 -4.68 1.61 8.00 -1.26 -5.04 116.55 115.18 2kbi n ASP 1846Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 2kbi n ASP 1846Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kbi s ARG 1847N 0.00 2.47 -0.02 -1.24 0.52 -1.26 -1.68 118.95 117.74 2kbi s ARG 1847Ca 0.00 -1.13 -0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2kbi s ARG 1847Cb 0.00 -2.37 0.02 0.00 0.52 0.00 0.00 34.95 33.12 2kbi s ARG 1847CO 0.00 0.44 0.03 0.42 0.02 0.00 0.00 175.30 176.21 2kbi s ILE 1848N -1.85 -0.03 0.26 1.52 1.09 -0.09 -0.95 121.20 121.15 2kbi s ILE 1848Ca 0.29 0.10 -0.30 0.00 -1.10 0.00 0.00 60.65 59.64 2kbi s ILE 1848Cb -0.09 -0.06 -0.09 0.00 -1.06 0.00 0.00 42.46 41.16 2kbi s ILE 1848CO 0.20 0.04 1.05 -2.28 -0.10 0.00 0.00 174.94 173.85 2kbi s HIS 1849N 0.53 3.71 0.14 3.97 5.65 -1.26 -1.79 115.29 126.24 2kbi s HIS 1849Ca -0.04 1.76 -0.31 0.00 0.25 0.00 0.00 55.06 56.72 2kbi s HIS 1849Cb -0.06 -3.19 -0.07 0.00 -1.18 0.00 0.00 32.58 28.09 2kbi s HIS 1849CO -0.02 -0.23 1.56 0.00 -0.65 0.00 0.00 174.74 175.41 2kbi h MET 1851N -0.39 0.51 -0.18 0.00 1.85 -1.95 -1.35 114.93 113.43 2kbi h MET 1851Ca 0.10 -0.11 -0.16 0.00 -0.61 0.00 0.00 59.70 58.92 2kbi h MET 1851Cb 0.60 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 2kbi h MET 1851CO -0.58 0.55 -0.55 -0.44 -0.40 0.00 0.00 176.91 175.50 2kbi h ASP 1852N 0.48 0.58 -0.12 1.39 5.19 -1.87 0.15 116.42 122.24 2kbi h ASP 1852Ca 0.10 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 2kbi h ASP 1852Cb 0.35 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 2kbi h ASP 1852CO 0.01 1.01 0.03 0.40 -3.12 0.00 0.00 179.24 177.57 2kbi h ILE 1853N 0.41 1.20 -0.05 0.35 2.04 -1.07 -1.00 117.51 119.39 2kbi h ILE 1853Ca 0.01 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.27 2kbi h ILE 1853Cb 1.08 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 2kbi h ILE 1853CO 0.10 0.18 -0.20 0.25 0.00 0.00 0.00 178.15 178.49 2kbi h LEU 1854N -0.02 -0.59 -0.50 1.44 5.85 -1.15 -1.44 115.31 118.91 2kbi h LEU 1854Ca 0.04 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kbi h LEU 1854Cb 0.26 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2kbi h LEU 1854CO 0.00 -0.26 0.19 0.15 -0.34 0.00 0.00 178.44 178.18 2kbi h PHE 1855N -0.29 0.34 -0.95 1.25 3.57 -0.93 0.49 116.94 120.41 2kbi h PHE 1855Ca 0.07 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.63 2kbi h PHE 1855Cb 0.39 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2kbi h PHE 1855CO -0.27 0.12 0.62 0.00 -2.23 0.00 0.00 178.31 176.55 2kbi h ALA 1856N 1.32 1.25 -0.04 2.41 0.00 -0.96 -1.15 119.26 122.10 2kbi h ALA 1856Ca 0.24 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2kbi h ALA 1856Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kbi h ALA 1856CO -0.23 0.51 -0.71 0.74 0.00 0.00 0.00 179.25 179.56 2kbi h PHE 1857N 1.21 0.32 0.08 0.00 -1.00 -0.48 -3.34 116.94 113.72 2kbi h PHE 1857Ca 0.38 -0.14 -0.28 0.00 2.81 0.00 0.00 57.97 60.74 2kbi h PHE 1857Cb -0.02 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 2kbi h PHE 1857CO -0.01 0.87 -1.39 1.79 -1.61 0.00 0.00 178.31 177.96 2kbi h THR 1858N 0.16 1.30 -0.61 -1.55 1.35 -0.72 -3.39 112.91 109.45 2kbi h THR 1858Ca -0.02 -2.97 0.13 0.00 -0.55 0.00 0.00 66.41 62.99 2kbi h THR 1858Cb 1.27 2.76 -0.11 0.00 -1.73 0.00 0.00 68.15 70.34 2kbi h THR 1858CO 0.11 0.82 -0.04 0.11 -0.25 0.00 0.00 175.52 176.27 2kbi h LYS 1859N 0.04 0.08 0.00 4.72 1.57 -1.33 0.29 116.57 121.94 2kbi h LYS 1859Ca -0.18 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2kbi h LYS 1859Cb 1.95 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 2kbi h LYS 1859CO 0.15 0.05 -0.10 0.07 -0.57 0.00 0.00 179.45 179.05 2kbi h ARG 1860N 0.08 0.00 0.14 3.15 0.11 -1.75 -1.08 114.38 115.03 2kbi h ARG 1860Ca 0.31 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.14 2kbi h ARG 1860Cb 0.50 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.59 2kbi h ARG 1860CO -0.55 0.10 -1.21 0.28 0.10 0.00 0.00 179.97 178.69 2kbi h VAL 1861N 0.00 1.22 0.00 0.08 2.07 -1.32 -3.34 116.25 114.96 2kbi h VAL 1861Ca -0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2kbi h VAL 1861Cb 0.24 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2kbi h VAL 1861CO 0.01 0.72 0.00 -0.07 0.02 0.00 0.00 177.57 178.25 2kbi h LEU 1862N -0.29 0.00 0.00 2.57 3.38 -0.86 -3.48 115.31 116.63 2kbi h LEU 1862Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kbi h LEU 1862Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2kbi h LEU 1862CO 0.11 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2kbi n GLY 1863N -0.22 0.53 3.68 0.83 0.00 -0.51 -5.04 105.19 104.45 2kbi n GLY 1863Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.10 4.22 0.00 1.61 2.56 -0.60 -5.03 118.70 119.36 2kbi s GLU 1864Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 54.97 57.08 2kbi s GLU 1864Cb 0.00 -3.74 0.00 0.00 2.00 0.00 0.00 34.13 32.39 2kbi s GLU 1864CO 0.00 -0.72 0.05 0.43 -0.56 0.00 0.00 175.26 174.46