#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbi s PRO -3 N 0.00 2.57 0.00 1.61 0.04 -1.26 -4.61 135.00 133.36 2kbi s PRO -3 Ca 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.93 2kbi s PRO -3 Cb 0.00 -4.93 0.00 0.00 0.04 0.00 0.00 34.50 29.61 2kbi s PRO -3 CO 0.00 -3.24 0.50 0.41 0.04 0.00 0.00 177.00 174.71 2kbi n GLY -2 N 6.62 -1.65 3.73 0.56 0.00 -1.26 -5.13 105.19 108.06 2kbi n GLY -2 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 3.71 0.00 1.61 7.64 -1.26 -4.93 113.62 120.38 2kbi n SER -1 Ca 0.00 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2kbi n SER -1 Cb 0.53 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2kbi n SER -1 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kbi n GLU 1773N 2.23 0.11 0.29 1.43 0.28 -1.26 -4.91 120.64 118.82 2kbi n GLU 1773Ca 0.09 -0.33 0.20 0.00 -0.16 0.00 0.00 57.16 56.96 2kbi n GLU 1773Cb 0.36 -0.57 1.00 0.00 1.43 0.00 0.00 31.44 33.66 2kbi n GLU 1773CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kbi h ASN 1774N 0.00 0.00 0.51 -1.84 -0.73 -2.07 -2.45 115.58 109.01 2kbi h ASN 1774Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kbi h ASN 1774Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2kbi h ASN 1774CO 0.00 0.00 0.00 2.19 -0.37 0.00 0.00 177.43 179.25 2kbi h PHE 1775N 0.00 0.00 -0.67 0.67 -5.15 -2.03 -3.40 116.94 106.35 2kbi h PHE 1775Ca 0.00 0.00 -0.48 0.00 -0.20 0.00 0.00 57.97 57.29 2kbi h PHE 1775Cb 0.10 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.21 2kbi h PHE 1775CO 0.00 0.00 1.53 -1.12 -2.00 0.00 0.00 178.31 176.72 2kbi s SER 1776N -4.41 5.84 -0.19 -0.68 0.01 -0.92 -4.97 113.70 108.38 2kbi s SER 1776Ca 0.01 -1.91 -0.29 0.00 1.31 0.00 0.00 55.95 55.07 2kbi s SER 1776Cb 0.09 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2kbi s SER 1776CO 0.36 -2.22 1.83 -0.69 0.41 0.00 0.00 173.24 172.93 2kbi s VAL 1777N 7.93 3.40 0.67 3.43 1.01 -1.26 -5.02 120.40 130.57 2kbi s VAL 1777Ca 0.61 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 2kbi s VAL 1777Cb 0.01 -3.43 0.16 0.00 0.00 0.00 0.00 36.38 33.12 2kbi s VAL 1777CO 0.09 -0.20 0.68 0.00 0.00 0.00 0.00 175.10 175.67 2kbi n ALA 1778N 9.28 -1.66 -2.25 5.51 0.00 -1.26 -5.13 120.51 124.99 2kbi n ALA 1778Ca 0.22 -0.97 -0.14 0.00 0.00 0.00 0.00 53.44 52.55 2kbi n ALA 1778Cb 0.45 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 2kbi n ALA 1778CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kbi s THR 1779N -2.32 1.11 0.37 0.00 -4.23 -1.26 -5.16 115.64 104.15 2kbi s THR 1779Ca 0.42 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.64 2kbi s THR 1779Cb -0.03 -1.89 -0.10 0.00 1.34 0.00 0.00 72.50 71.82 2kbi s THR 1779CO 0.31 -0.71 0.99 -0.70 -0.54 0.00 0.00 174.62 173.98 2kbi s GLU 1780N -3.77 4.37 0.00 3.99 2.12 -1.26 -5.01 118.70 119.14 2kbi s GLU 1780Ca 0.18 1.37 0.24 0.00 0.36 0.00 0.00 54.97 57.12 2kbi s GLU 1780Cb 0.03 -2.61 0.25 0.00 0.26 0.00 0.00 34.13 32.06 2kbi s GLU 1780CO 0.01 0.07 1.24 -0.85 -0.54 0.00 0.00 175.26 175.19 2kbi n GLU 1781N 0.14 0.56 0.00 4.30 0.28 -1.26 -4.40 120.64 120.26 2kbi n GLU 1781Ca 0.04 -0.41 0.11 0.00 -0.16 0.00 0.00 57.16 56.74 2kbi n GLU 1781Cb 0.50 -1.49 0.59 0.00 1.43 0.00 0.00 31.44 32.47 2kbi n GLU 1781CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2kbi n SER 1782N -0.86 0.00 -0.78 -1.84 7.64 -1.26 -4.31 113.62 112.21 2kbi n SER 1782Ca 0.08 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2kbi n SER 1782Cb 0.37 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.19 0.38 -1.71 0.44 -2.24 -1.26 -4.95 114.28 103.75 2kbi n THR 1783Ca 0.13 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 2kbi n THR 1783Cb 0.14 -0.62 0.05 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.44 1.40 0.00 -0.78 1.02 -1.26 -4.94 120.64 116.52 2kbi n GLU 1784Ca 0.00 0.52 0.14 0.00 -0.02 0.00 0.00 57.16 57.80 2kbi n GLU 1784Cb 0.27 -2.45 0.62 0.00 -0.02 0.00 0.00 31.44 29.86 2kbi n GLU 1784CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kbi n PRO 1785N -1.12 0.06 -4.17 3.49 -0.04 -1.26 -4.81 135.00 127.14 2kbi n PRO 1785Ca 0.12 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 2kbi n PRO 1785Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.94 2.42 0.29 1.53 1.43 -1.26 -4.93 118.68 115.22 2kbi s LEU 1786Ca 0.16 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 2kbi s LEU 1786Cb 0.19 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.12 2kbi s LEU 1786CO 0.51 -0.30 0.28 -0.55 0.23 0.00 0.00 176.35 176.52 2kbi s SER 1787N -2.54 0.94 0.44 2.29 0.15 -1.26 -5.06 113.70 108.67 2kbi s SER 1787Ca 0.06 -1.54 0.15 0.00 0.70 0.00 0.00 55.95 55.32 2kbi s SER 1787Cb -0.02 0.52 1.06 0.00 -1.71 0.00 0.00 66.02 65.88 2kbi s SER 1787CO -0.01 -1.04 1.98 -0.08 1.20 0.00 0.00 173.24 175.30 2kbi h GLU 1788N 2.30 0.36 -0.40 5.44 4.81 -2.02 -2.21 114.58 122.84 2kbi h GLU 1788Ca -0.29 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 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 0.42 0.24 0.24 0.22 -0.73 0.00 0.00 179.01 179.39 2kbi h ASP 1789N 0.37 0.48 -0.28 1.04 3.58 -1.98 -0.53 116.42 119.10 2kbi h ASP 1789Ca 0.27 -0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.54 2kbi h ASP 1789Cb 0.57 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2kbi h ASP 1789CO -0.07 0.37 -0.43 0.44 -2.88 0.00 0.00 179.24 176.68 2kbi h ASP 1790N 0.55 0.90 0.09 2.28 3.32 -1.81 -1.05 116.42 120.69 2kbi h ASP 1790Ca 0.15 -0.43 -0.22 0.00 0.02 0.00 0.00 57.03 56.55 2kbi h ASP 1790Cb -0.01 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.29 2kbi h ASP 1790CO -0.03 1.20 -0.83 -0.26 -1.72 0.00 0.00 179.24 177.60 2kbi h PHE 1791N 0.67 0.82 -0.41 4.55 0.04 -1.53 -2.04 116.94 119.05 2kbi h PHE 1791Ca 0.05 -0.39 0.01 0.00 2.80 0.00 0.00 57.97 60.44 2kbi h PHE 1791Cb 1.01 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.01 2kbi h PHE 1791CO 0.06 1.20 0.25 0.22 -0.60 0.00 0.00 178.31 179.44 2kbi h ASP 1792N 0.38 0.41 -0.40 2.17 3.58 -1.09 -2.30 116.42 119.18 2kbi h ASP 1792Ca -0.06 -0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.45 2kbi h ASP 1792Cb 1.45 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 42.35 2kbi h ASP 1792CO 0.16 0.30 0.07 -0.03 -2.88 0.00 0.00 179.24 176.85 2kbi h MET 1793N 0.51 0.19 0.16 0.28 4.05 -1.18 -1.02 114.93 117.91 2kbi h MET 1793Ca 0.16 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2kbi h MET 1793Cb -0.01 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 2kbi h MET 1793CO -0.06 0.12 -0.47 0.35 0.23 0.00 0.00 176.91 177.08 2kbi h PHE 1794N 0.19 -1.34 0.00 1.39 3.04 -1.00 -1.01 116.94 118.22 2kbi h PHE 1794Ca 0.20 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 2kbi h PHE 1794Cb 0.24 0.56 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 2kbi h PHE 1794CO -0.21 -0.57 -0.31 1.88 -2.02 0.00 0.00 178.31 177.08 2kbi h TYR 1795N -0.73 0.00 0.36 0.41 0.05 -1.35 -0.42 116.97 115.29 2kbi h TYR 1795Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2kbi h TYR 1795Cb 0.73 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 2kbi h TYR 1795CO -0.39 0.31 -0.17 1.49 -1.05 0.00 0.00 178.16 178.35 2kbi h GLU 1796N 0.00 -0.46 -0.25 4.88 4.81 -0.95 -3.27 114.58 119.34 2kbi h GLU 1796Ca -0.00 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2kbi h GLU 1796Cb 0.64 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2kbi h GLU 1796CO 0.04 -0.19 -0.18 0.82 -0.73 0.00 0.00 179.01 178.77 2kbi h ILE 1797N -0.69 1.24 -0.85 2.32 1.08 -1.04 -3.16 117.51 116.41 2kbi h ILE 1797Ca -0.05 -1.10 0.16 0.00 -0.39 0.00 0.00 64.86 63.49 2kbi h ILE 1797Cb 0.49 1.25 -0.10 0.00 -3.07 0.00 0.00 36.82 35.39 2kbi h ILE 1797CO 0.08 0.35 0.42 -0.25 -0.69 0.00 0.00 178.15 178.06 2kbi h TRP 1798N 0.40 0.72 -0.18 1.37 2.91 -1.13 -2.47 115.95 117.57 2kbi h TRP 1798Ca 0.07 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.18 2kbi h TRP 1798Cb 0.55 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 2kbi h TRP 1798CO 0.02 0.12 0.16 1.49 -1.03 0.00 0.00 178.44 179.19 2kbi h GLU 1799N 0.55 0.00 0.00 2.65 4.81 -1.60 -0.70 114.58 120.29 2kbi h GLU 1799Ca 0.48 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2kbi h GLU 1799Cb 0.75 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2kbi h GLU 1799CO -0.41 0.00 -0.00 0.87 -0.73 0.00 0.00 179.01 178.74 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.57 -1.64 -3.23 116.57 115.19 2kbi h LYS 1800Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kbi h LYS 1800Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2kbi h LYS 1800CO -0.00 0.00 -0.97 1.19 -0.57 0.00 0.00 179.45 179.10 2kbi n PHE 1801N -3.09 0.00 -3.56 -1.35 3.72 -0.35 -4.80 117.46 108.03 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 0.27 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.54 2.97 0.24 4.37 2.03 -0.71 -4.91 116.55 119.00 2kbi n ASP 1802Ca -0.00 -3.24 0.16 0.00 0.52 0.00 0.00 54.79 52.22 2kbi n ASP 1802Cb 0.17 -0.69 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 4.64 0.00 0.00 -0.67 0.13 -1.87 -2.82 132.00 131.40 2kbi h PRO 1803Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2kbi h PRO 1803Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kbi h PRO 1803CO 0.74 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 2kbi n GLU 1804N -2.89 0.18 -1.93 0.86 -0.58 -1.26 -4.94 120.64 110.08 2kbi n GLU 1804Ca 0.01 0.23 -0.13 0.00 -0.42 0.00 0.00 57.16 56.85 2kbi n GLU 1804Cb 0.32 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 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 -1.71 -0.49 0.51 0.62 0.00 -1.07 -4.89 120.51 113.48 2kbi n ALA 1805Ca 0.05 0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.75 2kbi n ALA 1805Cb 0.35 -1.51 0.41 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.72 0.82 -1.11 0.00 5.66 -1.26 -4.90 114.28 110.78 2kbi n THR 1806Ca -0.15 0.19 -0.04 0.00 -3.05 0.00 0.00 64.05 61.00 2kbi n THR 1806Cb 0.54 -0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 68.31 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 -1.82 -0.58 -4.22 1.09 1.13 -1.26 -5.04 117.38 106.68 2kbi n GLN 1807Ca 0.03 0.47 -0.18 0.00 -1.94 0.00 0.00 57.00 55.38 2kbi n GLN 1807Cb 0.22 -4.13 -0.11 0.00 0.11 0.00 0.00 30.24 26.33 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 -1.97 1.34 0.20 1.08 0.08 -1.26 -1.17 117.98 116.28 2kbi s PHE 1808Ca 0.00 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.53 2kbi s PHE 1808Cb 0.00 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2kbi s PHE 1808CO 0.00 0.11 0.07 0.96 -0.10 0.00 0.00 175.22 176.26 2kbi s ILE 1809N -1.84 0.43 0.25 0.64 -4.36 -0.75 -4.81 121.20 110.76 2kbi s ILE 1809Ca 0.05 -1.98 -0.12 0.00 -0.26 0.00 0.00 60.65 58.34 2kbi s ILE 1809Cb -0.07 -2.38 -0.08 0.00 1.25 0.00 0.00 42.46 41.19 2kbi s ILE 1809CO 0.03 -0.21 0.60 -1.61 0.24 0.00 0.00 174.94 173.99 2kbi s GLU 1810N -4.02 3.88 0.53 0.37 2.02 -1.26 -1.09 118.70 119.12 2kbi s GLU 1810Ca 0.32 0.42 0.23 0.00 0.02 0.00 0.00 54.97 55.96 2kbi s GLU 1810Cb 0.07 -2.62 1.45 0.00 0.10 0.00 0.00 34.13 33.13 2kbi s GLU 1810CO 0.09 0.29 2.13 -0.92 0.02 0.00 0.00 175.26 176.87 2kbi h TYR 1811N 2.58 0.00 0.00 1.61 5.03 -1.49 -0.69 116.97 124.01 2kbi h TYR 1811Ca -0.47 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.84 2kbi h TYR 1811Cb 1.17 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2kbi h TYR 1811CO 0.62 0.07 0.00 0.66 -1.32 0.00 0.00 178.16 178.19 2kbi h SER 1812N 0.00 0.00 0.00 -2.11 4.64 -1.95 -3.14 113.55 110.99 2kbi h SER 1812Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kbi h SER 1812Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2kbi h SER 1812CO 0.01 0.00 -0.29 1.33 -0.87 0.00 0.00 176.83 177.01 2kbi n VAL 1813N -2.32 0.00 -0.35 0.95 0.24 -0.55 -4.67 118.33 111.64 2kbi n VAL 1813Ca 0.01 -0.37 0.07 0.00 -2.04 0.00 0.00 64.34 62.01 2kbi n VAL 1813Cb 0.20 0.89 0.24 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.85 -1.46 1.34 5.85 -1.12 -0.80 115.31 119.97 2kbi h LEU 1814Ca 0.00 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2kbi h LEU 1814Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2kbi h LEU 1814CO 0.00 0.44 -0.26 0.77 -0.34 0.00 0.00 178.44 179.04 2kbi h SER 1815N 0.92 0.01 0.27 1.25 4.64 -1.83 0.82 113.55 119.62 2kbi h SER 1815Ca 0.49 -0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.48 2kbi h SER 1815Cb 0.52 -0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.65 2kbi h SER 1815CO -0.28 0.27 -1.41 -0.78 -0.87 0.00 0.00 176.83 173.76 2kbi h ASP 1816N 0.01 0.82 -0.09 4.97 3.58 -1.64 -3.15 116.42 120.93 2kbi h ASP 1816Ca -0.00 -0.85 0.01 0.00 0.42 0.00 0.00 57.03 56.62 2kbi h ASP 1816Cb 0.47 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2kbi h ASP 1816CO 0.03 1.66 -0.00 0.15 -2.88 0.00 0.00 179.24 178.20 2kbi h PHE 1817N 0.17 -0.01 -0.63 0.28 3.57 -1.04 -2.21 116.94 117.07 2kbi h PHE 1817Ca -0.23 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.42 2kbi h PHE 1817Cb 2.09 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 40.82 2kbi h PHE 1817CO 0.12 -0.02 0.44 0.00 -2.23 0.00 0.00 178.31 176.62 2kbi h ALA 1818N 1.08 2.28 0.00 2.41 0.00 -0.94 -1.40 119.26 122.68 2kbi h ALA 1818Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kbi h ALA 1818Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2kbi h ALA 1818CO -0.07 -0.45 -0.55 0.22 0.00 0.00 0.00 179.25 178.40 2kbi h ASP 1819N 0.23 0.00 1.20 0.00 3.58 -1.45 0.10 116.42 120.07 2kbi h ASP 1819Ca 0.30 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2kbi h ASP 1819Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2kbi h ASP 1819CO -0.06 0.03 -0.76 0.00 -2.88 0.00 0.00 179.24 175.57 2kbi h ALA 1820N 2.21 0.61 -2.23 -0.78 0.00 -0.62 -3.47 119.26 114.99 2kbi h ALA 1820Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 2kbi h ALA 1820Cb 0.89 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.84 2kbi h ALA 1820CO 0.00 0.00 0.25 -0.51 0.00 0.00 0.00 179.25 178.99 2kbi s LEU 1821N -5.46 1.62 0.36 0.00 1.43 -1.19 -5.05 118.68 110.39 2kbi s LEU 1821Ca 0.02 0.75 0.07 0.00 -1.03 0.00 0.00 54.13 53.94 2kbi s LEU 1821Cb 0.09 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 2kbi s LEU 1821CO 0.76 -3.22 0.35 -0.55 0.23 0.00 0.00 176.35 173.92 2kbi s SER 1822N -4.05 5.35 0.66 2.29 0.15 -1.26 -4.73 113.70 112.11 2kbi s SER 1822Ca 0.68 -0.50 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 2kbi s SER 1822Cb -0.12 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2kbi s SER 1822CO 0.55 -0.45 1.17 -1.61 1.20 0.00 0.00 173.24 174.09 2kbi s GLU 1823N -4.07 2.65 0.05 5.44 2.02 -1.26 -1.77 118.70 121.76 2kbi s GLU 1823Ca 0.44 1.63 0.28 0.00 0.02 0.00 0.00 54.97 57.34 2kbi s GLU 1823Cb -0.06 -1.91 1.02 0.00 0.10 0.00 0.00 34.13 33.28 2kbi s GLU 1823CO 0.28 -1.41 1.81 -0.35 0.02 0.00 0.00 175.26 175.61 2kbi n PRO 1824N -2.25 0.07 -0.13 0.39 -0.04 -1.26 -4.85 135.00 126.93 2kbi n PRO 1824Ca 0.12 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2kbi n PRO 1824Cb 0.51 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.89-10.29 1.53 3.38 -1.89 -3.46 115.31 105.47 2kbi h LEU 1825Ca 0.00 -0.31 -0.52 0.00 0.09 0.00 0.00 57.88 57.15 2kbi h LEU 1825Cb 0.56 -0.24 0.16 0.00 0.09 0.00 0.00 40.66 41.22 2kbi h LEU 1825CO 0.00 1.05 0.28 0.00 0.09 0.00 0.00 178.44 179.86 2kbi s ARG 1826N -4.72 1.75 -0.32 1.13 1.04 -0.73 -4.94 118.95 112.16 2kbi s ARG 1826Ca -0.10 1.35 -0.00 0.00 -1.04 0.00 0.00 55.73 55.93 2kbi s ARG 1826Cb 0.13 -1.83 0.10 0.00 -2.04 0.00 0.00 34.95 31.32 2kbi s ARG 1826CO 0.85 -2.05 0.10 0.42 -0.04 0.00 0.00 175.30 174.58 2kbi s ILE 1827N -2.76 0.95 0.40 4.99 1.09 0.02 -4.84 121.20 121.05 2kbi s ILE 1827Ca 0.64 -1.50 -0.27 0.00 -1.10 0.00 0.00 60.65 58.42 2kbi s ILE 1827Cb -0.20 -1.72 -0.10 0.00 -1.06 0.00 0.00 42.46 39.39 2kbi s ILE 1827CO 0.56 -0.69 1.46 0.00 -0.10 0.00 0.00 174.94 176.17 2kbi s ALA 1828N 1.52 3.45 0.62 9.38 0.00 -1.26 -3.60 121.76 131.87 2kbi s ALA 1828Ca 0.10 1.52 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 2kbi s ALA 1828Cb -0.18 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 2kbi s ALA 1828CO -0.23 -1.09 1.31 1.63 0.00 0.00 0.00 175.76 177.38 2kbi n LYS 1829N 0.24 1.27 -2.23 0.00 5.02 -1.26 -3.99 118.16 117.21 2kbi n LYS 1829Ca 0.02 0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 56.39 2kbi n LYS 1829Cb 0.40 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 32.84 2kbi n LYS 1829CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kbi s PRO 1830N -3.23 4.39 0.00 1.97 0.04 -1.26 -5.14 135.00 131.77 2kbi s PRO 1830Ca 0.80 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2kbi s PRO 1830Cb -0.39 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2kbi s PRO 1830CO 0.43 -0.27 0.23 0.27 0.04 0.00 0.00 177.00 177.69 2kbi n ASN 1831N 2.93 0.46 -0.28 6.66 0.23 -1.26 -4.79 115.26 119.21 2kbi n ASN 1831Ca 0.07 -0.83 0.01 0.00 -0.53 0.00 0.00 54.58 53.31 2kbi n ASN 1831Cb 0.43 0.15 0.15 0.00 -2.08 0.00 0.00 39.78 38.43 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 0.79 -0.40 -3.83 -0.00 -1.94 0.11 115.11 109.84 2kbi h GLN 1832Ca 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.50 2kbi h GLN 1832Cb 0.14 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 2kbi h GLN 1832CO 0.00 0.52 -0.15 0.82 -0.00 0.00 0.00 178.83 180.02 2kbi h ILE 1833N 0.81 1.28 -0.29 1.86 2.04 -1.99 -1.86 117.51 119.36 2kbi h ILE 1833Ca 0.37 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 65.01 2kbi h ILE 1833Cb 0.28 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2kbi h ILE 1833CO -0.22 0.42 0.04 0.28 0.00 0.00 0.00 178.15 178.68 2kbi h SER 1834N 0.62 -0.02 -0.26 1.72 0.02 -1.70 -1.87 113.55 112.05 2kbi h SER 1834Ca 0.09 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kbi h SER 1834Cb 0.69 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2kbi h SER 1834CO 0.05 0.03 0.15 -0.07 -1.14 0.00 0.00 176.83 175.84 2kbi h LEU 1835N 0.14 0.33 -1.69 5.07 3.38 -0.97 -2.95 115.31 118.63 2kbi h LEU 1835Ca 0.14 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2kbi h LEU 1835Cb 0.15 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kbi h LEU 1835CO -0.19 0.31 0.34 0.40 0.09 0.00 0.00 178.44 179.38 2kbi h ILE 1836N 0.32 0.93 0.00 1.22 2.04 -1.05 -1.42 117.51 119.55 2kbi h ILE 1836Ca 0.09 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2kbi h ILE 1836Cb 0.05 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2kbi h ILE 1836CO -0.02 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.79 2kbi n ASN 1837N -4.47 0.00 -4.59 1.72 3.02 -0.73 -4.89 115.26 105.32 2kbi n ASN 1837Ca 0.07 0.48 -0.29 0.00 -0.03 0.00 0.00 54.58 54.81 2kbi n ASN 1837Cb 0.31 -0.49 0.14 0.00 -0.61 0.00 0.00 39.78 39.12 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 -2.99 1.15 0.00 3.52 -1.94 -0.54 -4.98 119.30 113.52 2kbi s MET 1838Ca 0.13 0.02 0.04 0.00 -1.71 0.00 0.00 55.69 54.17 2kbi s MET 1838Cb 0.17 -1.86 0.23 0.00 2.01 0.00 0.00 34.83 35.37 2kbi s MET 1838CO 0.46 -2.14 1.08 -3.47 -0.01 0.00 0.00 175.02 170.94 2kbi n ASP 1839N -3.67 0.00 -4.69 3.03 2.03 -1.26 -4.96 116.55 107.02 2kbi n ASP 1839Ca 0.10 -1.73 -0.52 0.00 0.52 0.00 0.00 54.79 53.16 2kbi n ASP 1839Cb 0.60 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.56 3.02 0.00 -2.67 4.77 -1.26 -5.00 117.00 115.29 2kbi n LEU 1840Ca 0.03 1.01 -0.15 0.00 -0.03 0.00 0.00 56.01 56.87 2kbi n LEU 1840Cb 0.01 -1.28 0.11 0.00 -2.33 0.00 0.00 43.42 39.93 2kbi n LEU 1840CO 0.02 -0.21 0.44 -0.81 -1.33 0.00 0.00 177.39 175.51 2kbi n PRO 1841N 6.12 -0.77 -4.17 3.23 -0.04 -1.26 -5.11 135.00 133.00 2kbi n PRO 1841Ca 0.24 -1.04 -0.12 0.00 -0.04 0.00 0.00 63.50 62.54 2kbi n PRO 1841Cb 0.23 -0.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.87 2kbi n PRO 1841CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2kbi s MET 1842N -4.47 0.82 -0.01 0.54 -1.94 -1.26 -4.78 119.30 108.21 2kbi s MET 1842Ca 0.38 -1.23 0.12 0.00 -1.71 0.00 0.00 55.69 53.26 2kbi s MET 1842Cb -0.01 -0.35 -0.17 0.00 2.01 0.00 0.00 34.83 36.31 2kbi s MET 1842CO 0.27 0.03 0.38 1.33 -0.01 0.00 0.00 175.02 177.02 2kbi n VAL 1843N 0.29 0.00 -0.21 -6.03 0.24 0.00 -4.72 118.33 107.91 2kbi n VAL 1843Ca -0.14 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2kbi n VAL 1843Cb 0.59 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 2kbi n VAL 1843CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kbi n SER 1844N -1.66 0.07 0.00 -1.34 3.41 -1.26 -5.00 113.62 107.85 2kbi n SER 1844Ca -0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 2kbi n SER 1844Cb 0.27 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 0.19 1.06 0.00 5.00 0.00 -1.26 -4.84 105.19 105.34 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 -4.47 1.61 8.00 -1.26 -5.09 116.55 115.34 2kbi n ASP 1846Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 2kbi n ASP 1846Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 1.67 -0.00 -1.24 0.52 -1.26 -1.15 118.95 117.49 2kbi s ARG 1847Ca 0.00 -1.79 -0.01 0.00 -0.52 0.00 0.00 55.73 53.40 2kbi s ARG 1847Cb 0.00 -1.65 -0.00 0.00 0.52 0.00 0.00 34.95 33.82 2kbi s ARG 1847CO 0.00 0.25 0.03 0.42 0.02 0.00 0.00 175.30 176.01 2kbi s ILE 1848N -2.62 0.03 0.34 1.52 1.09 -0.25 -0.82 121.20 120.49 2kbi s ILE 1848Ca 0.30 -0.24 -0.26 0.00 -1.10 0.00 0.00 60.65 59.35 2kbi s ILE 1848Cb -0.02 -0.12 -0.09 0.00 -1.06 0.00 0.00 42.46 41.16 2kbi s ILE 1848CO 0.14 -0.13 1.00 -2.28 -0.10 0.00 0.00 174.94 173.57 2kbi s HIS 1849N -0.38 3.54 0.15 3.97 5.65 -1.26 -1.82 115.29 125.14 2kbi s HIS 1849Ca -0.04 1.73 -0.21 0.00 0.25 0.00 0.00 55.06 56.78 2kbi s HIS 1849Cb -0.03 -3.05 0.04 0.00 -1.18 0.00 0.00 32.58 28.36 2kbi s HIS 1849CO -0.00 -0.17 1.64 0.00 -0.65 0.00 0.00 174.74 175.55 2kbi h MET 1851N -0.20 0.02 -0.02 0.00 1.85 -1.95 -1.67 114.93 112.95 2kbi h MET 1851Ca 0.14 -0.01 -0.16 0.00 -0.61 0.00 0.00 59.70 59.06 2kbi h MET 1851Cb 0.42 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 2kbi h MET 1851CO -0.38 0.43 -0.74 -0.44 -0.40 0.00 0.00 176.91 175.39 2kbi h ASP 1852N 0.02 0.16 -0.03 1.39 5.19 -1.88 0.51 116.42 121.78 2kbi h ASP 1852Ca -0.00 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2kbi h ASP 1852Cb 0.74 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.20 2kbi h ASP 1852CO 0.05 0.84 0.00 0.40 -3.12 0.00 0.00 179.24 177.42 2kbi h ILE 1853N 0.09 1.22 -0.40 0.35 2.04 -1.20 -2.18 117.51 117.43 2kbi h ILE 1853Ca -0.02 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.24 2kbi h ILE 1853Cb 1.30 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.93 2kbi h ILE 1853CO 0.11 0.18 0.06 0.25 0.00 0.00 0.00 178.15 178.74 2kbi h LEU 1854N -0.21 -0.04 -0.43 1.44 6.46 -1.17 -0.87 115.31 120.50 2kbi h LEU 1854Ca 0.01 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 2kbi h LEU 1854Cb 0.29 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 2kbi h LEU 1854CO 0.00 0.02 0.12 0.15 -0.62 0.00 0.00 178.44 178.11 2kbi h PHE 1855N 0.18 0.21 -0.27 1.25 3.57 -0.92 0.11 116.94 121.07 2kbi h PHE 1855Ca 0.19 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2kbi h PHE 1855Cb 0.24 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2kbi h PHE 1855CO -0.22 0.06 0.16 0.00 -2.23 0.00 0.00 178.31 176.08 2kbi h ALA 1856N 1.30 0.35 -0.17 2.41 0.00 -0.98 -2.79 119.26 119.38 2kbi h ALA 1856Ca 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2kbi h ALA 1856Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kbi h ALA 1856CO -0.24 -0.13 -0.02 0.74 0.00 0.00 0.00 179.25 179.60 2kbi h PHE 1857N 0.34 0.35 -0.76 0.00 -1.00 -0.87 -3.24 116.94 111.75 2kbi h PHE 1857Ca 0.10 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 2kbi h PHE 1857Cb 0.04 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.48 2kbi h PHE 1857CO -0.04 0.55 0.36 1.79 -1.61 0.00 0.00 178.31 179.36 2kbi h THR 1858N 0.04 1.24 -0.81 -1.55 1.35 -1.04 -2.88 112.91 109.26 2kbi h THR 1858Ca 0.05 -0.69 0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2kbi h THR 1858Cb 0.43 0.27 -0.09 0.00 -1.73 0.00 0.00 68.15 67.03 2kbi h THR 1858CO 0.01 0.29 0.40 0.11 -0.25 0.00 0.00 175.52 176.09 2kbi h LYS 1859N 1.08 0.58 -0.75 4.72 1.57 -1.52 -0.20 116.57 122.06 2kbi h LYS 1859Ca 0.26 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2kbi h LYS 1859Cb 0.12 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2kbi h LYS 1859CO -0.03 0.39 0.37 -0.09 -0.57 0.00 0.00 179.45 179.52 2kbi h ARG 1860N 0.60 1.07 -0.37 3.15 9.65 -1.57 -0.85 114.38 126.06 2kbi h ARG 1860Ca 0.43 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 59.07 2kbi h ARG 1860Cb 0.59 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 2kbi h ARG 1860CO -0.35 0.83 -0.14 0.28 2.80 0.00 0.00 179.97 183.39 2kbi h VAL 1861N 1.05 1.28 0.00 0.20 2.07 -1.37 -3.12 116.25 116.36 2kbi h VAL 1861Ca 0.26 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2kbi h VAL 1861Cb 0.10 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2kbi h VAL 1861CO -0.03 0.41 0.00 0.18 0.02 0.00 0.00 177.57 178.14 2kbi n LEU 1862N -4.33 0.00 0.00 2.57 4.77 -0.15 -4.89 117.00 114.97 2kbi n LEU 1862Ca -0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2kbi n LEU 1862Cb 0.38 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2kbi n LEU 1862CO 0.43 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2kbi n GLY 1863N -0.08 0.93 4.02 -0.72 0.00 -0.90 -4.66 105.19 103.78 2kbi n GLY 1863Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kbi n GLY 1863CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kbi n GLU 1864N -1.74 0.00 0.00 1.61 1.02 -0.38 -5.01 120.64 116.14 2kbi n GLU 1864Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kbi n GLU 1864Cb 0.00 -4.10 0.00 0.00 -0.02 0.00 0.00 31.44 27.32 2kbi n GLU 1864CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76