#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 1.51 0.64 1.61 0.04 -1.26 -5.10 135.00 132.44 2kbi s PRO -3 Ca 0.00 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 61.67 2kbi s PRO -3 Cb 0.00 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.82 2kbi s PRO -3 CO 0.00 -2.03 0.88 0.41 0.04 0.00 0.00 177.00 176.31 2kbi n GLY -2 N -1.66 0.41 2.41 0.56 0.00 -1.26 -4.68 105.19 100.96 2kbi n GLY -2 Ca 0.07 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.02 -5.22 0.00 1.61 7.64 -1.26 -3.96 113.62 109.41 2kbi n SER -1 Ca 0.14 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2kbi n SER -1 Cb 0.50 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 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 -2.83 0.00 0.13 1.43 0.28 -1.26 -3.13 120.64 115.26 2kbi n GLU 1773Ca -0.21 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.81 2kbi n GLU 1773Cb 0.65 0.00 0.36 0.00 1.43 0.00 0.00 31.44 33.88 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 0.18 0.00 -1.84 -0.73 -1.97 -3.47 115.58 107.74 2kbi h ASN 1774Ca 0.00 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2kbi h ASN 1774Cb 0.00 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.54 2kbi h ASN 1774CO 0.00 0.42 0.00 2.22 -0.37 0.00 0.00 177.43 179.70 2kbi n PHE 1775N -4.20 0.00 -2.06 0.67 1.16 -1.18 -4.91 117.46 106.93 2kbi n PHE 1775Ca -0.01 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.29 2kbi n PHE 1775Cb 0.33 -0.27 0.15 0.00 -1.61 0.00 0.00 39.48 38.09 2kbi n PHE 1775CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2kbi s SER 1776N -0.53 3.60 0.00 5.98 0.15 -1.26 -5.05 113.70 116.58 2kbi s SER 1776Ca 0.00 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2kbi s SER 1776Cb 0.00 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2kbi s SER 1776CO 0.00 -2.42 0.09 0.52 1.20 0.00 0.00 173.24 172.63 2kbi n VAL 1777N -3.50 0.00 -4.00 4.45 0.31 -1.26 -5.11 118.33 109.22 2kbi n VAL 1777Ca 0.14 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.10 2kbi n VAL 1777Cb 0.60 1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 34.63 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kbi n ALA 1778N -0.39 0.10 -2.30 3.52 0.00 -1.26 -5.20 120.51 114.99 2kbi n ALA 1778Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 53.44 52.28 2kbi n ALA 1778Cb 0.03 0.80 -0.09 0.00 0.00 0.00 0.00 19.45 20.19 2kbi n ALA 1778CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kbi s THR 1779N -2.69 0.17 0.00 0.00 -1.32 -1.26 -5.09 115.64 105.44 2kbi s THR 1779Ca 0.19 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 2kbi s THR 1779Cb 0.00 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 2kbi s THR 1779CO 0.14 0.00 0.13 -1.84 -2.21 0.00 0.00 174.62 170.83 2kbi n GLU 1780N -0.54 2.39 -2.18 7.08 0.28 -1.26 -5.04 120.64 121.37 2kbi n GLU 1780Ca 0.03 -0.13 -0.43 0.00 -0.16 0.00 0.00 57.16 56.47 2kbi n GLU 1780Cb 0.64 -0.51 -0.02 0.00 1.43 0.00 0.00 31.44 32.97 2kbi n GLU 1780CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kbi s GLU 1781N -0.38 3.47 0.82 3.44 2.56 -1.26 -5.02 118.70 122.33 2kbi s GLU 1781Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 54.97 56.04 2kbi s GLU 1781Cb 0.00 -4.11 0.09 0.00 2.00 0.00 0.00 34.13 32.11 2kbi s GLU 1781CO 0.00 -1.70 1.12 -1.12 -0.56 0.00 0.00 175.26 173.00 2kbi s SER 1782N 4.95 3.87 -0.31 -1.70 0.01 -1.26 -5.07 113.70 114.18 2kbi s SER 1782Ca 0.70 2.02 -0.02 0.00 1.31 0.00 0.00 55.95 59.96 2kbi s SER 1782Cb -0.18 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.61 2kbi s SER 1782CO 0.33 -2.47 0.14 0.42 0.41 0.00 0.00 173.24 172.07 2kbi s THR 1783N -2.70 0.37 0.05 1.44 -4.23 -1.26 -5.13 115.64 104.18 2kbi s THR 1783Ca 0.65 -1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2kbi s THR 1783Cb -0.20 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 2kbi s THR 1783CO 0.55 -0.76 0.03 -1.83 -0.54 0.00 0.00 174.62 172.08 2kbi s GLU 1784N 1.69 0.64 0.46 3.99 -1.05 -1.26 -5.08 118.70 118.08 2kbi s GLU 1784Ca 0.11 -1.06 0.25 0.00 -0.15 0.00 0.00 54.97 54.12 2kbi s GLU 1784Cb -0.18 0.23 0.51 0.00 -0.44 0.00 0.00 34.13 34.25 2kbi s GLU 1784CO -0.26 -0.14 1.67 -1.00 0.95 0.00 0.00 175.26 176.48 2kbi h PRO 1785N 3.24 0.00 -7.01 -4.83 0.13 -1.99 -3.46 132.00 118.08 2kbi h PRO 1785Ca -0.34 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.33 2kbi h PRO 1785Cb 1.16 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.35 2kbi h PRO 1785CO 0.60 0.00 0.09 -0.51 -0.23 0.00 0.00 178.00 177.95 2kbi s LEU 1786N -6.21 3.26 0.26 1.56 1.43 -1.26 -5.14 118.68 112.59 2kbi s LEU 1786Ca 0.06 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2kbi s LEU 1786Cb 0.06 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2kbi s LEU 1786CO 0.65 -1.09 0.19 -0.94 0.23 0.00 0.00 176.35 175.39 2kbi s SER 1787N -4.34 0.89 0.41 2.29 1.04 -1.26 -5.06 113.70 107.66 2kbi s SER 1787Ca 0.54 -1.54 0.12 0.00 0.48 0.00 0.00 55.95 55.55 2kbi s SER 1787Cb -0.10 0.44 0.95 0.00 0.10 0.00 0.00 66.02 67.40 2kbi s SER 1787CO 0.42 -0.92 1.95 -0.08 0.98 0.00 0.00 173.24 175.59 2kbi h GLU 1788N 2.39 0.50 -0.21 4.02 4.57 -2.01 -2.27 114.58 121.58 2kbi h GLU 1788Ca -0.32 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 2kbi h GLU 1788Cb 1.24 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2kbi h GLU 1788CO 0.47 0.33 -0.01 0.22 -1.18 0.00 0.00 179.01 178.84 2kbi h ASP 1789N 0.52 0.28 -0.18 1.04 3.58 -1.98 -1.32 116.42 118.35 2kbi h ASP 1789Ca 0.32 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 2kbi h ASP 1789Cb 0.56 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2kbi h ASP 1789CO -0.10 0.34 0.01 0.44 -2.88 0.00 0.00 179.24 177.05 2kbi h ASP 1790N 0.30 0.29 -0.48 2.28 3.32 -1.82 -1.22 116.42 119.09 2kbi h ASP 1790Ca 0.07 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 2kbi h ASP 1790Cb 0.22 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2kbi h ASP 1790CO 0.01 0.51 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.78 2kbi h PHE 1791N 0.07 0.93 -0.34 4.55 0.04 -1.57 -0.83 116.94 119.79 2kbi h PHE 1791Ca 0.05 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.69 2kbi h PHE 1791Cb 0.36 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 2kbi h PHE 1791CO 0.03 0.88 0.14 0.22 -0.60 0.00 0.00 178.31 178.98 2kbi h ASP 1792N 0.71 0.17 -0.45 2.17 3.58 -1.24 -1.27 116.42 120.10 2kbi h ASP 1792Ca 0.14 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.64 2kbi h ASP 1792Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2kbi h ASP 1792CO 0.03 0.14 0.24 -0.03 -2.88 0.00 0.00 179.24 176.73 2kbi h MET 1793N 0.29 0.47 0.00 0.28 4.05 -1.13 -0.91 114.93 117.98 2kbi h MET 1793Ca 0.15 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2kbi h MET 1793Cb 0.10 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 2kbi h MET 1793CO -0.13 0.31 -0.18 0.35 0.23 0.00 0.00 176.91 177.49 2kbi h PHE 1794N 0.48 -0.47 -0.20 1.39 3.04 -0.77 -1.95 116.94 118.45 2kbi h PHE 1794Ca 0.19 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.07 2kbi h PHE 1794Cb 0.06 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 2kbi h PHE 1794CO -0.09 -0.26 -0.23 1.88 -2.02 0.00 0.00 178.31 177.59 2kbi h TYR 1795N -0.30 0.40 -0.08 0.41 0.05 -1.13 -0.07 116.97 116.26 2kbi h TYR 1795Ca 0.06 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2kbi h TYR 1795Cb 0.37 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 2kbi h TYR 1795CO -0.23 0.58 0.05 1.49 -1.05 0.00 0.00 178.16 179.00 2kbi h GLU 1796N 0.33 0.11 -0.20 4.88 4.81 -0.95 -3.04 114.58 120.52 2kbi h GLU 1796Ca 0.05 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 2kbi h GLU 1796Cb 0.60 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2kbi h GLU 1796CO 0.04 0.13 -0.44 0.82 -0.73 0.00 0.00 179.01 178.84 2kbi h ILE 1797N 0.06 1.31 -0.86 2.32 1.08 -1.24 -3.26 117.51 116.91 2kbi h ILE 1797Ca 0.03 -1.62 0.11 0.00 -0.39 0.00 0.00 64.86 62.99 2kbi h ILE 1797Cb 0.05 1.63 -0.08 0.00 -3.07 0.00 0.00 36.82 35.36 2kbi h ILE 1797CO -0.00 0.50 0.49 -0.25 -0.69 0.00 0.00 178.15 178.20 2kbi h TRP 1798N 0.40 0.89 -0.00 1.37 2.91 -0.93 -2.03 115.95 118.56 2kbi h TRP 1798Ca 0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2kbi h TRP 1798Cb 0.93 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 29.31 2kbi h TRP 1798CO 0.03 0.34 0.01 1.49 -1.03 0.00 0.00 178.44 179.28 2kbi h GLU 1799N 0.80 0.00 0.00 2.65 4.81 -1.58 -0.83 114.58 120.43 2kbi h GLU 1799Ca 0.42 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 2kbi h GLU 1799Cb 0.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kbi h GLU 1799CO -0.27 0.00 -0.08 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 -1.54 -2.73 116.57 115.80 2kbi h LYS 1800Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2kbi h LYS 1800Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2kbi h LYS 1800CO -0.00 0.08 -1.29 1.19 -0.57 0.00 0.00 179.45 178.86 2kbi n PHE 1801N -3.19 0.00 -3.35 -1.35 3.72 -0.67 -4.78 117.46 107.84 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 0.39 -0.18 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 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 -1.91 2.38 0.25 4.37 2.03 -0.41 -4.93 116.55 118.33 2kbi n ASP 1802Ca -0.04 -3.15 0.16 0.00 0.52 0.00 0.00 54.79 52.28 2kbi n ASP 1802Cb 0.38 -0.66 0.62 0.00 -0.72 0.00 0.00 41.12 40.74 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 4.16 0.00 0.00 -0.67 0.13 -1.73 -2.59 132.00 131.30 2kbi h PRO 1803Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2kbi h PRO 1803Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2kbi h PRO 1803CO 0.69 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 2kbi n GLU 1804N -2.92 0.16 -2.21 0.86 -0.58 -1.26 -4.94 120.64 109.75 2kbi n GLU 1804Ca 0.01 0.07 -0.16 0.00 -0.42 0.00 0.00 57.16 56.67 2kbi n GLU 1804Cb 0.30 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.40 -0.61 0.27 0.62 0.00 -0.98 -4.89 120.51 113.53 2kbi n ALA 1805Ca 0.08 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.82 2kbi n ALA 1805Cb 0.24 -1.76 0.68 0.00 0.00 0.00 0.00 19.45 18.61 2kbi n ALA 1805CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kbi h THR 1806N 0.00 0.00 -0.30 0.00 1.35 -1.92 -3.46 112.91 108.57 2kbi h THR 1806Ca -0.37 -0.13 -0.13 0.00 -0.55 0.00 0.00 66.41 65.23 2kbi h THR 1806Cb 1.23 0.83 -0.05 0.00 -1.73 0.00 0.00 68.15 68.43 2kbi h THR 1806CO 0.45 0.00 -0.12 0.00 -0.25 0.00 0.00 175.52 175.61 2kbi n GLN 1807N -2.49 -0.70 -4.21 4.72 1.13 -1.26 -5.04 117.38 109.54 2kbi n GLN 1807Ca -0.00 0.64 -0.20 0.00 -1.94 0.00 0.00 57.00 55.49 2kbi n GLN 1807Cb 0.13 -4.45 -0.12 0.00 0.11 0.00 0.00 30.24 25.91 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 -2.10 1.37 0.11 1.08 0.08 -1.26 -0.87 117.98 116.39 2kbi s PHE 1808Ca 0.00 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2kbi s PHE 1808Cb 0.00 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 2kbi s PHE 1808CO 0.00 0.10 -0.03 0.96 -0.10 0.00 0.00 175.22 176.16 2kbi s ILE 1809N -1.32 0.51 0.46 0.64 -4.36 -1.03 -4.75 121.20 111.36 2kbi s ILE 1809Ca 0.01 -1.92 -0.20 0.00 -0.26 0.00 0.00 60.65 58.29 2kbi s ILE 1809Cb -0.10 -1.80 -0.10 0.00 1.25 0.00 0.00 42.46 41.72 2kbi s ILE 1809CO 0.03 -0.75 0.98 -1.61 0.24 0.00 0.00 174.94 173.82 2kbi s GLU 1810N -3.90 4.04 0.55 0.37 2.02 -1.26 -1.35 118.70 119.17 2kbi s GLU 1810Ca 0.15 1.15 0.24 0.00 0.02 0.00 0.00 54.97 56.53 2kbi s GLU 1810Cb 0.06 -2.15 1.55 0.00 0.10 0.00 0.00 34.13 33.70 2kbi s GLU 1810CO -0.03 -0.20 2.19 -0.92 0.02 0.00 0.00 175.26 176.32 2kbi h TYR 1811N 1.60 0.00 0.00 1.61 5.03 -1.58 -1.62 116.97 122.01 2kbi h TYR 1811Ca -0.49 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.82 2kbi h TYR 1811Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.47 2kbi h TYR 1811CO 0.61 0.02 0.00 0.77 -1.32 0.00 0.00 178.16 178.24 2kbi h SER 1812N 0.00 0.00 0.00 -2.11 0.02 -1.94 -3.09 113.55 106.43 2kbi h SER 1812Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kbi h SER 1812Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2kbi h SER 1812CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 2kbi n VAL 1813N -2.55 0.00 -0.12 2.27 0.24 -0.74 -4.74 118.33 112.70 2kbi n VAL 1813Ca -0.00 -0.43 0.11 0.00 -2.04 0.00 0.00 64.34 61.98 2kbi n VAL 1813Cb 0.15 1.05 0.47 0.00 -1.47 0.00 0.00 33.84 34.03 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 0.44 -0.45 1.34 5.85 -1.24 -0.57 115.31 120.68 2kbi h LEU 1814Ca 0.00 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 2kbi h LEU 1814Cb 0.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2kbi h LEU 1814CO 0.00 0.26 -0.67 0.77 -0.34 0.00 0.00 178.44 178.47 2kbi h SER 1815N 0.49 0.52 -0.27 1.25 4.64 -1.85 0.13 113.55 118.45 2kbi h SER 1815Ca 0.30 -0.32 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2kbi h SER 1815Cb 0.52 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2kbi h SER 1815CO -0.09 1.04 -0.24 0.44 -0.87 0.00 0.00 176.83 177.11 2kbi h ASP 1816N 0.32 0.68 -0.11 4.97 3.32 -1.74 -2.70 116.42 121.16 2kbi h ASP 1816Ca -0.02 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.59 2kbi h ASP 1816Cb 1.23 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2kbi h ASP 1816CO 0.12 1.00 0.02 0.15 -1.72 0.00 0.00 179.24 178.81 2kbi h PHE 1817N 0.38 0.03 -0.79 4.55 3.57 -1.07 -1.70 116.94 121.91 2kbi h PHE 1817Ca 0.05 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.70 2kbi h PHE 1817Cb 0.80 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2kbi h PHE 1817CO 0.07 0.01 0.52 0.00 -2.23 0.00 0.00 178.31 176.68 2kbi h ALA 1818N 1.08 2.06 -0.00 2.41 0.00 -1.00 -1.20 119.26 122.61 2kbi h ALA 1818Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kbi h ALA 1818Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2kbi h ALA 1818CO -0.07 -0.28 -0.30 -3.47 0.00 0.00 0.00 179.25 175.13 2kbi n ASP 1819N -4.49 0.73 0.08 0.00 2.03 -1.02 -1.42 116.55 112.46 2kbi n ASP 1819Ca 0.15 -0.58 0.11 0.00 0.52 0.00 0.00 54.79 55.00 2kbi n ASP 1819Cb 0.53 0.12 0.01 0.00 -0.72 0.00 0.00 41.12 41.05 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 -1.00 2.70 -1.41 -1.67 0.00 -0.46 -4.90 120.51 113.76 2kbi n ALA 1820Ca 0.10 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 52.96 2kbi n ALA 1820Cb 0.33 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 18.80 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 -4.98 2.89 0.51 0.00 1.43 -1.20 -5.00 118.68 112.34 2kbi s LEU 1821Ca 0.00 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 2kbi s LEU 1821Cb 0.11 -4.33 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 2kbi s LEU 1821CO 0.79 -1.89 0.89 -0.44 0.23 0.00 0.00 176.35 175.93 2kbi s SER 1822N -3.63 6.36 0.62 2.29 0.01 -1.26 -4.57 113.70 113.52 2kbi s SER 1822Ca 0.60 1.21 -0.19 0.00 1.31 0.00 0.00 55.95 58.89 2kbi s SER 1822Cb -0.16 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2kbi s SER 1822CO 0.55 -0.63 1.29 -1.61 0.41 0.00 0.00 173.24 173.25 2kbi s GLU 1823N -4.59 2.72 0.06 12.44 2.02 -1.26 -1.67 118.70 128.41 2kbi s GLU 1823Ca 0.52 2.05 0.27 0.00 0.02 0.00 0.00 54.97 57.83 2kbi s GLU 1823Cb -0.10 -1.93 0.83 0.00 0.10 0.00 0.00 34.13 33.03 2kbi s GLU 1823CO 0.43 -1.47 1.68 -0.35 0.02 0.00 0.00 175.26 175.57 2kbi n PRO 1824N -1.71 0.10 0.28 0.39 -0.04 -1.26 -4.83 135.00 127.93 2kbi n PRO 1824Ca 0.15 0.06 0.17 0.00 -0.04 0.00 0.00 63.50 63.83 2kbi n PRO 1824Cb 0.48 -1.59 0.78 0.00 -0.04 0.00 0.00 33.50 33.13 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 -9.60 1.53 3.38 -1.83 -3.44 115.31 105.35 2kbi h LEU 1825Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2kbi h LEU 1825Cb 0.59 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.45 2kbi h LEU 1825CO 0.00 0.05 0.24 -1.14 0.09 0.00 0.00 178.44 177.69 2kbi n ARG 1826N -3.23 1.58 -3.89 1.13 3.00 -0.67 -4.94 116.66 109.63 2kbi n ARG 1826Ca -0.01 0.56 -0.30 0.00 -0.00 0.00 0.00 57.85 58.09 2kbi n ARG 1826Cb 0.26 -2.03 -0.15 0.00 0.00 0.00 0.00 32.46 30.54 2kbi n ARG 1826CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kbi s ILE 1827N -1.13 1.75 0.19 5.15 1.09 -0.51 -4.90 121.20 122.85 2kbi s ILE 1827Ca 0.59 -2.09 -0.32 0.00 -1.10 0.00 0.00 60.65 57.73 2kbi s ILE 1827Cb -0.62 -2.29 -0.12 0.00 -1.06 0.00 0.00 42.46 38.37 2kbi s ILE 1827CO 0.60 -0.66 1.75 0.00 -0.10 0.00 0.00 174.94 176.53 2kbi n ALA 1828N 4.34 2.65 -1.78 9.38 0.00 -1.26 -3.66 120.51 130.18 2kbi n ALA 1828Ca 0.02 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 2kbi n ALA 1828Cb 0.41 -2.54 -0.00 0.00 0.00 0.00 0.00 19.45 17.32 2kbi n ALA 1828CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kbi s LYS 1829N 1.55 4.09 0.08 0.00 2.20 -1.26 -3.90 119.74 122.50 2kbi s LYS 1829Ca 0.77 2.60 -0.31 0.00 -0.36 0.00 0.00 55.97 58.67 2kbi s LYS 1829Cb -0.50 -2.96 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 2kbi s LYS 1829CO 0.34 -0.56 1.33 -1.25 -0.36 0.00 0.00 175.35 174.84 2kbi s PRO 1830N -2.05 4.35 0.00 4.03 0.04 -1.26 -5.14 135.00 134.98 2kbi s PRO 1830Ca 0.53 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2kbi s PRO 1830Cb -0.47 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2kbi s PRO 1830CO 0.63 -0.40 0.27 0.27 0.04 0.00 0.00 177.00 177.82 2kbi n ASN 1831N 4.15 0.54 -0.34 6.66 0.23 -1.25 -4.82 115.26 120.43 2kbi n ASN 1831Ca 0.11 -0.83 0.05 0.00 -0.53 0.00 0.00 54.58 53.38 2kbi n ASN 1831Cb 0.44 0.21 0.23 0.00 -2.08 0.00 0.00 39.78 38.58 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 1.01 -0.53 -3.83 3.07 -1.94 -1.32 115.11 111.57 2kbi h GLN 1832Ca 0.00 -0.06 -0.05 0.00 0.09 0.00 0.00 58.65 58.63 2kbi h GLN 1832Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 27.48 27.40 2kbi h GLN 1832CO 0.00 0.67 0.16 0.82 0.09 0.00 0.00 178.83 180.56 2kbi h ILE 1833N 1.04 1.24 0.09 1.86 2.04 -1.99 -0.72 117.51 121.07 2kbi h ILE 1833Ca 0.44 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2kbi h ILE 1833Cb 0.32 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2kbi h ILE 1833CO -0.19 0.30 -0.07 -1.28 0.00 0.00 0.00 178.15 176.90 2kbi h SER 1834N 0.74 -0.19 -0.77 1.72 0.87 -1.68 -1.65 113.55 112.60 2kbi h SER 1834Ca 0.17 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 2kbi h SER 1834Cb 0.30 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2kbi h SER 1834CO -0.00 -0.12 0.47 -0.07 -0.53 0.00 0.00 176.83 176.58 2kbi h LEU 1835N -0.18 0.73 -1.25 2.23 3.38 -1.13 -1.71 115.31 117.37 2kbi h LEU 1835Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2kbi h LEU 1835Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2kbi h LEU 1835CO -0.01 0.48 0.25 0.40 0.09 0.00 0.00 178.44 179.65 2kbi h ILE 1836N 0.87 1.19 0.00 1.22 2.04 -0.96 -2.74 117.51 119.12 2kbi h ILE 1836Ca 0.33 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2kbi h ILE 1836Cb 0.14 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2kbi h ILE 1836CO -0.16 0.22 -0.02 0.59 0.00 0.00 0.00 178.15 178.78 2kbi n ASN 1837N -4.36 0.84 -4.78 1.72 3.02 -0.63 -4.84 115.26 106.22 2kbi n ASN 1837Ca 0.05 0.57 -0.32 0.00 -0.03 0.00 0.00 54.58 54.84 2kbi n ASN 1837Cb 0.14 -0.78 0.05 0.00 -0.61 0.00 0.00 39.78 38.57 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 -3.11 2.82 -0.06 3.52 -1.94 -0.72 -4.96 119.30 114.86 2kbi s MET 1838Ca 0.10 1.25 0.02 0.00 -1.71 0.00 0.00 55.69 55.35 2kbi s MET 1838Cb 0.12 -1.96 0.13 0.00 2.01 0.00 0.00 34.83 35.13 2kbi s MET 1838CO 0.60 -1.21 0.91 -0.40 -0.01 0.00 0.00 175.02 174.91 2kbi n ASP 1839N -2.64 2.40 -4.61 3.03 5.75 -1.26 -4.98 116.55 114.25 2kbi n ASP 1839Ca 0.09 -2.21 -0.51 0.00 -0.01 0.00 0.00 54.79 52.16 2kbi n ASP 1839Cb 0.53 -0.54 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 2kbi n ASP 1839CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2kbi n LEU 1840N 0.16 2.03 0.00 -2.12 4.77 -1.26 -5.02 117.00 115.56 2kbi n LEU 1840Ca 0.07 1.11 -0.24 0.00 -0.03 0.00 0.00 56.01 56.92 2kbi n LEU 1840Cb 0.54 -1.25 0.18 0.00 -2.33 0.00 0.00 43.42 40.56 2kbi n LEU 1840CO 0.08 -0.84 0.67 -0.81 -1.33 0.00 0.00 177.39 175.16 2kbi n PRO 1841N 2.84 -1.53 -4.07 3.23 -0.04 -1.26 -5.13 135.00 129.04 2kbi n PRO 1841Ca 0.18 -1.64 -0.13 0.00 -0.04 0.00 0.00 63.50 61.87 2kbi n PRO 1841Cb 0.21 -1.20 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 -5.32 0.52 0.02 0.54 -1.94 -1.26 -4.75 119.30 107.11 2kbi s MET 1842Ca 0.62 -0.73 0.22 0.00 -1.71 0.00 0.00 55.69 54.09 2kbi s MET 1842Cb -0.03 -0.30 -0.13 0.00 2.01 0.00 0.00 34.83 36.38 2kbi s MET 1842CO 0.44 0.05 0.84 1.33 -0.01 0.00 0.00 175.02 177.67 2kbi n VAL 1843N 1.53 0.10 0.00 -6.03 0.24 -0.24 -4.61 118.33 109.32 2kbi n VAL 1843Ca -0.22 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2kbi n VAL 1843Cb 0.55 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 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 -1.98 0.04 0.00 -1.34 3.41 -1.26 -5.01 113.62 107.48 2kbi n SER 1844Ca 0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2kbi n SER 1844Cb 0.46 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 0.09 0.79 0.00 5.00 0.00 -1.26 -4.86 105.19 104.95 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 -4.51 1.61 5.68 -1.26 -5.09 116.55 112.99 2kbi n ASP 1846Ca 0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 54.79 54.05 2kbi n ASP 1846Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 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 1.80 0.02 0.11 0.52 -1.26 -1.39 118.95 118.74 2kbi s ARG 1847Ca 0.00 -1.71 0.02 0.00 -0.52 0.00 0.00 55.73 53.52 2kbi s ARG 1847Cb 0.00 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.61 2kbi s ARG 1847CO 0.00 0.33 -0.07 0.42 0.02 0.00 0.00 175.30 176.00 2kbi s ILE 1848N -2.48 0.51 0.21 1.52 1.09 -0.46 -1.08 121.20 120.52 2kbi s ILE 1848Ca 0.30 -0.61 -0.27 0.00 -1.10 0.00 0.00 60.65 58.97 2kbi s ILE 1848Cb -0.05 -0.50 -0.09 0.00 -1.06 0.00 0.00 42.46 40.76 2kbi s ILE 1848CO 0.16 -0.08 0.85 -2.28 -0.10 0.00 0.00 174.94 173.49 2kbi s HIS 1849N -0.66 3.91 0.17 3.97 5.65 -1.26 -2.46 115.29 124.60 2kbi s HIS 1849Ca -0.03 1.74 -0.25 0.00 0.25 0.00 0.00 55.06 56.78 2kbi s HIS 1849Cb -0.06 -2.85 0.05 0.00 -1.18 0.00 0.00 32.58 28.54 2kbi s HIS 1849CO 0.00 0.46 1.58 0.00 -0.65 0.00 0.00 174.74 176.13 2kbi h MET 1851N -0.25 0.40 -0.05 0.00 1.85 -1.95 -1.18 114.93 113.75 2kbi h MET 1851Ca 0.18 -0.10 -0.20 0.00 -0.61 0.00 0.00 59.70 58.96 2kbi h MET 1851Cb 0.57 -0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.54 2kbi h MET 1851CO -0.63 0.51 -0.83 -0.44 -0.40 0.00 0.00 176.91 175.12 2kbi h ASP 1852N 0.38 0.53 0.30 1.39 5.19 -1.82 -0.43 116.42 121.97 2kbi h ASP 1852Ca 0.08 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 2kbi h ASP 1852Cb 0.41 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2kbi h ASP 1852CO 0.02 1.15 -0.15 0.40 -3.12 0.00 0.00 179.24 177.55 2kbi h ILE 1853N 0.27 0.72 -0.22 0.35 2.04 -1.16 -1.68 117.51 117.83 2kbi h ILE 1853Ca -0.05 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2kbi h ILE 1853Cb 1.43 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 2kbi h ILE 1853CO 0.14 0.02 -0.26 0.25 0.00 0.00 0.00 178.15 178.31 2kbi h LEU 1854N -0.46 -0.82 -0.12 1.44 5.85 -1.14 -0.67 115.31 119.38 2kbi h LEU 1854Ca -0.04 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2kbi h LEU 1854Cb 0.35 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2kbi h LEU 1854CO 0.07 -0.30 -0.22 0.15 -0.34 0.00 0.00 178.44 177.80 2kbi h PHE 1855N -0.28 -0.58 -0.59 1.25 3.57 -1.08 -0.45 116.94 118.78 2kbi h PHE 1855Ca 0.13 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2kbi h PHE 1855Cb 0.48 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2kbi h PHE 1855CO -0.40 -0.30 0.39 0.00 -2.23 0.00 0.00 178.31 175.77 2kbi h ALA 1856N 0.69 1.68 -0.03 2.41 0.00 -0.91 -0.85 119.26 122.25 2kbi h ALA 1856Ca 0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2kbi h ALA 1856Cb 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kbi h ALA 1856CO -0.28 0.25 -0.90 0.74 0.00 0.00 0.00 179.25 179.06 2kbi h PHE 1857N 0.70 0.66 0.00 0.00 -1.00 -0.67 -3.31 116.94 113.31 2kbi h PHE 1857Ca 0.23 -0.34 -0.13 0.00 2.81 0.00 0.00 57.97 60.54 2kbi h PHE 1857Cb 0.07 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 2kbi h PHE 1857CO -0.00 1.15 -0.62 1.79 -1.61 0.00 0.00 178.31 179.02 2kbi h THR 1858N 0.27 1.05 -1.01 -1.55 1.35 -0.79 -3.36 112.91 108.87 2kbi h THR 1858Ca -0.07 -2.49 0.25 0.00 -0.55 0.00 0.00 66.41 63.54 2kbi h THR 1858Cb 1.52 2.52 -0.12 0.00 -1.73 0.00 0.00 68.15 70.34 2kbi h THR 1858CO 0.16 0.60 0.61 0.50 -0.25 0.00 0.00 175.52 177.14 2kbi h LYS 1859N 0.00 0.55 0.24 4.72 3.64 -1.25 -0.33 116.57 124.13 2kbi h LYS 1859Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kbi h LYS 1859Cb 1.47 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 2kbi h LYS 1859CO 0.08 0.36 -0.23 0.00 -2.27 0.00 0.00 179.45 177.39 2kbi h ARG 1860N 0.56 -0.47 -0.57 1.90 3.08 -1.75 -2.06 114.38 115.07 2kbi h ARG 1860Ca 0.63 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.68 2kbi h ARG 1860Cb 1.25 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 2kbi h ARG 1860CO -0.44 -0.32 0.21 0.28 -1.07 0.00 0.00 179.97 178.63 2kbi h VAL 1861N -0.49 1.23 0.00 2.04 2.07 -1.35 -2.63 116.25 117.12 2kbi h VAL 1861Ca -0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2kbi h VAL 1861Cb 0.46 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2kbi h VAL 1861CO -0.05 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 2kbi h LEU 1862N 0.80 0.00 0.13 2.57 3.38 -1.14 -3.48 115.31 117.58 2kbi h LEU 1862Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2kbi h LEU 1862Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2kbi h LEU 1862CO -0.01 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.08 2kbi n GLY 1863N 0.07 0.60 3.57 0.83 0.00 -0.81 -4.97 105.19 104.48 2kbi n GLY 1863Ca 0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 2kbi n GLY 1863CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbi s GLU 1864N -1.60 3.82 0.00 1.61 0.41 -0.97 -5.04 118.70 116.93 2kbi s GLU 1864Ca 0.00 -1.72 0.00 0.00 -0.41 0.00 0.00 54.97 52.84 2kbi s GLU 1864Cb 0.00 -5.48 0.00 0.00 -1.78 0.00 0.00 34.13 26.87 2kbi s GLU 1864CO 0.00 -2.32 0.23 0.43 -0.49 0.00 0.00 175.26 173.10