#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 -2.01 -3.47 132.00 128.25 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 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.19 2kbi n GLY -2 N 0.33 1.13 0.35 1.56 0.00 -1.26 -4.91 105.19 102.39 2kbi n GLY -2 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2kbi n GLY -2 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kbi h SER -1 N 0.00 -0.72 0.00 1.61 4.64 -1.95 -3.42 113.55 113.71 2kbi h SER -1 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2kbi h SER -1 Cb 0.00 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2kbi h SER -1 CO 0.00 -0.39 0.00 -1.84 -0.87 0.00 0.00 176.83 173.73 2kbi n GLU 1773N -5.38 0.01 0.11 4.77 0.28 -1.26 -4.88 120.64 114.28 2kbi n GLU 1773Ca -0.12 -0.15 0.12 0.00 -0.16 0.00 0.00 57.16 56.84 2kbi n GLU 1773Cb 0.36 -0.61 0.46 0.00 1.43 0.00 0.00 31.44 33.08 2kbi n GLU 1773CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kbi n ASN 1774N -0.05 0.65 -4.13 -1.84 4.05 -1.26 -4.84 115.26 107.85 2kbi n ASN 1774Ca 0.00 0.62 -0.19 0.00 0.45 0.00 0.00 54.58 55.46 2kbi n ASN 1774Cb 0.14 -0.77 -0.09 0.00 1.23 0.00 0.00 39.78 40.28 2kbi n ASN 1774CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2kbi s PHE 1775N -3.22 1.65 0.32 1.20 0.08 -1.26 -4.98 117.98 111.76 2kbi s PHE 1775Ca 0.07 -1.27 0.02 0.00 0.12 0.00 0.00 56.93 55.86 2kbi s PHE 1775Cb 0.11 -0.95 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 2kbi s PHE 1775CO 0.46 -0.40 0.35 -1.54 -0.10 0.00 0.00 175.22 173.99 2kbi s SER 1776N -3.40 1.13 0.20 1.36 1.04 -1.26 -5.02 113.70 107.75 2kbi s SER 1776Ca 0.35 -1.58 0.23 0.00 0.48 0.00 0.00 55.95 55.43 2kbi s SER 1776Cb 0.06 0.58 0.91 0.00 0.10 0.00 0.00 66.02 67.67 2kbi s SER 1776CO 0.16 -1.13 1.70 1.33 0.98 0.00 0.00 173.24 176.28 2kbi n VAL 1777N -0.55 0.77 -3.23 5.02 0.24 -1.26 -4.82 118.33 114.51 2kbi n VAL 1777Ca 0.04 0.13 -0.37 0.00 -2.04 0.00 0.00 64.34 62.10 2kbi n VAL 1777Cb 0.62 -1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 31.93 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbi s ALA 1778N -3.22 3.52 0.50 2.33 0.00 -1.26 -5.09 121.76 118.54 2kbi s ALA 1778Ca 0.06 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 51.84 2kbi s ALA 1778Cb 0.10 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 2kbi s ALA 1778CO 0.42 0.39 1.19 0.99 0.00 0.00 0.00 175.76 178.75 2kbi s THR 1779N -1.38 2.94 0.96 0.00 2.01 -1.26 -5.05 115.64 113.86 2kbi s THR 1779Ca 0.37 0.67 -0.11 0.00 0.31 0.00 0.00 61.69 62.93 2kbi s THR 1779Cb -0.17 -3.32 0.17 0.00 0.01 0.00 0.00 72.50 69.19 2kbi s THR 1779CO 0.20 -0.04 1.09 -1.61 -0.69 0.00 0.00 174.62 173.56 2kbi s GLU 1780N -2.90 0.69 0.19 4.92 2.02 -1.26 -5.09 118.70 117.27 2kbi s GLU 1780Ca 0.68 0.99 0.00 0.00 0.02 0.00 0.00 54.97 56.66 2kbi s GLU 1780Cb -0.29 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 2kbi s GLU 1780CO 0.35 -2.68 0.08 -2.00 0.02 0.00 0.00 175.26 171.02 2kbi s GLU 1781N -4.76 1.15 0.46 1.61 2.12 -1.26 -5.19 118.70 112.83 2kbi s GLU 1781Ca 0.65 -1.59 0.03 0.00 0.36 0.00 0.00 54.97 54.42 2kbi s GLU 1781Cb -0.21 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.20 2kbi s GLU 1781CO 0.59 -0.28 0.06 0.45 -0.54 0.00 0.00 175.26 175.54 2kbi s SER 1782N -3.17 3.49 0.00 -1.70 0.15 -1.26 -5.06 113.70 106.16 2kbi s SER 1782Ca 0.32 -1.64 0.25 0.00 0.70 0.00 0.00 55.95 55.58 2kbi s SER 1782Cb 0.07 0.46 1.43 0.00 -1.71 0.00 0.00 66.02 66.27 2kbi s SER 1782CO 0.08 -0.86 1.86 0.35 1.20 0.00 0.00 173.24 175.87 2kbi n THR 1783N -1.08 0.07 -2.11 6.45 -2.24 -1.26 -4.87 114.28 109.24 2kbi n THR 1783Ca -0.12 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 2kbi n THR 1783Cb 0.66 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.19 4.32 0.00 -0.78 2.02 -1.26 -4.96 118.70 115.86 2kbi s GLU 1784Ca 0.33 2.17 0.27 0.00 0.02 0.00 0.00 54.97 57.76 2kbi s GLU 1784Cb 0.17 -3.17 1.19 0.00 0.10 0.00 0.00 34.13 32.42 2kbi s GLU 1784CO 0.32 -0.38 1.87 -0.35 0.02 0.00 0.00 175.26 176.74 2kbi n PRO 1785N 2.91 0.10 -4.30 0.39 -0.04 -1.26 -4.83 135.00 127.95 2kbi n PRO 1785Ca 0.08 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 2kbi n PRO 1785Cb 0.41 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.29 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 -2.89 3.06 0.23 1.53 1.43 -1.26 -5.02 118.68 115.76 2kbi s LEU 1786Ca 0.16 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2kbi s LEU 1786Cb 0.18 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 2kbi s LEU 1786CO 0.47 0.05 0.10 -0.44 0.23 0.00 0.00 176.35 176.75 2kbi s SER 1787N -3.27 0.90 0.37 2.29 0.01 -1.26 -5.07 113.70 107.67 2kbi s SER 1787Ca 0.28 -1.36 0.12 0.00 1.31 0.00 0.00 55.95 56.29 2kbi s SER 1787Cb -0.07 0.22 0.90 0.00 0.21 0.00 0.00 66.02 67.28 2kbi s SER 1787CO 0.17 -0.75 1.86 -0.08 0.41 0.00 0.00 173.24 174.86 2kbi h GLU 1788N 2.48 0.58 0.00 12.44 4.81 -2.02 -1.66 114.58 131.22 2kbi h GLU 1788Ca -0.37 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2kbi h GLU 1788Cb 1.24 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 2kbi h GLU 1788CO 0.59 0.38 -0.05 0.22 -0.73 0.00 0.00 179.01 179.43 2kbi h ASP 1789N 0.60 0.00 -0.36 1.04 3.58 -1.99 -2.63 116.42 116.67 2kbi h ASP 1789Ca 0.46 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.75 2kbi h ASP 1789Cb 0.87 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 2kbi h ASP 1789CO -0.21 0.05 -0.42 0.44 -2.88 0.00 0.00 179.24 176.22 2kbi h ASP 1790N 0.00 0.98 -0.22 2.28 3.32 -1.72 -0.48 116.42 120.59 2kbi h ASP 1790Ca -0.00 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 2kbi h ASP 1790Cb 0.09 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2kbi h ASP 1790CO 0.01 1.27 0.03 -0.26 -1.72 0.00 0.00 179.24 178.57 2kbi h PHE 1791N 0.72 0.39 -0.63 4.55 -1.00 -1.61 -1.33 116.94 118.03 2kbi h PHE 1791Ca 0.05 -0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.82 2kbi h PHE 1791Cb 1.01 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.42 2kbi h PHE 1791CO 0.07 0.50 0.36 0.22 -1.61 0.00 0.00 178.31 177.85 2kbi h ASP 1792N 0.16 0.55 -0.60 2.17 3.58 -1.44 -1.51 116.42 119.33 2kbi h ASP 1792Ca 0.07 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2kbi h ASP 1792Cb 0.33 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2kbi h ASP 1792CO 0.00 0.37 0.38 -0.03 -2.88 0.00 0.00 179.24 177.08 2kbi h MET 1793N 0.68 0.80 0.08 0.28 4.05 -1.01 -0.52 114.93 119.30 2kbi h MET 1793Ca 0.27 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.65 2kbi h MET 1793Cb 0.12 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 2kbi h MET 1793CO -0.15 0.56 -0.23 0.35 0.23 0.00 0.00 176.91 177.66 2kbi h PHE 1794N 0.81 -0.61 -0.34 1.39 3.04 -0.84 -1.69 116.94 118.69 2kbi h PHE 1794Ca 0.22 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 2kbi h PHE 1794Cb -0.05 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 2kbi h PHE 1794CO -0.03 -0.33 0.02 1.88 -2.02 0.00 0.00 178.31 177.84 2kbi h TYR 1795N -0.41 0.53 0.08 0.41 0.05 -1.09 0.11 116.97 116.66 2kbi h TYR 1795Ca 0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2kbi h TYR 1795Cb 0.45 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2kbi h TYR 1795CO -0.23 0.51 -0.04 1.49 -1.05 0.00 0.00 178.16 178.84 2kbi h GLU 1796N 0.50 -0.11 -0.03 4.88 4.81 -0.97 -3.22 114.58 120.45 2kbi h GLU 1796Ca 0.11 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2kbi h GLU 1796Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2kbi h GLU 1796CO 0.01 0.15 -0.42 0.82 -0.73 0.00 0.00 179.01 178.84 2kbi h ILE 1797N -0.36 1.30 -0.85 2.32 1.08 -1.14 -3.15 117.51 116.71 2kbi h ILE 1797Ca -0.01 -1.46 0.12 0.00 -0.39 0.00 0.00 64.86 63.12 2kbi h ILE 1797Cb 0.31 1.75 -0.08 0.00 -3.07 0.00 0.00 36.82 35.73 2kbi h ILE 1797CO 0.02 0.42 0.47 -0.25 -0.69 0.00 0.00 178.15 178.12 2kbi h TRP 1798N 0.05 0.84 -0.05 1.37 2.91 -0.98 -2.49 115.95 117.60 2kbi h TRP 1798Ca 0.00 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.07 2kbi h TRP 1798Cb 0.76 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2kbi h TRP 1798CO 0.00 0.28 0.05 1.49 -1.03 0.00 0.00 178.44 179.23 2kbi h GLU 1799N 0.73 0.00 0.00 2.65 4.57 -1.58 -0.64 114.58 120.31 2kbi h GLU 1799Ca 0.44 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.57 2kbi h GLU 1799Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2kbi h GLU 1799CO -0.30 0.00 -0.25 0.87 -1.18 0.00 0.00 179.01 178.14 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.79 -1.62 -3.26 116.57 115.40 2kbi h LYS 1800Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2kbi h LYS 1800Cb 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2kbi h LYS 1800CO -0.00 0.25 -1.44 1.19 -1.08 0.00 0.00 179.45 178.37 2kbi n PHE 1801N -3.46 0.00 -3.59 -1.35 3.01 -0.72 -4.76 117.46 106.59 2kbi n PHE 1801Ca -0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 2kbi n PHE 1801Cb 0.43 -0.22 -0.09 0.00 -0.01 0.00 0.00 39.48 39.59 2kbi n PHE 1801CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2kbi n ASP 1802N -1.83 3.67 0.19 4.37 2.03 -0.33 -4.89 116.55 119.75 2kbi n ASP 1802Ca -0.02 -3.34 0.14 0.00 0.52 0.00 0.00 54.79 52.09 2kbi n ASP 1802Cb 0.25 -0.76 0.52 0.00 -0.72 0.00 0.00 41.12 40.41 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 4.80 0.00 0.00 -0.67 0.13 -1.85 -2.87 132.00 131.54 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 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kbi h PRO 1803CO 0.82 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.98 2kbi n GLU 1804N -2.62 0.19 -2.10 0.86 1.02 -1.26 -4.92 120.64 111.81 2kbi n GLU 1804Ca 0.02 0.31 -0.11 0.00 -0.02 0.00 0.00 57.16 57.36 2kbi n GLU 1804Cb 0.31 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.74 -0.61 0.63 0.62 0.00 -1.08 -4.89 120.51 113.44 2kbi n ALA 1805Ca 0.04 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.69 2kbi n ALA 1805Cb 0.30 -1.32 0.43 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.79 0.68 -1.09 0.00 5.66 -1.26 -4.90 114.28 110.58 2kbi n THR 1806Ca -0.12 0.14 -0.03 0.00 -3.05 0.00 0.00 64.05 60.99 2kbi n THR 1806Cb 0.52 -0.86 -0.01 0.00 -1.55 0.00 0.00 70.33 68.43 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 -1.66 -0.42 -4.16 1.09 1.13 -1.26 -5.04 117.38 107.06 2kbi n GLN 1807Ca 0.04 0.45 -0.14 0.00 -1.94 0.00 0.00 57.00 55.41 2kbi n GLN 1807Cb 0.24 -4.03 -0.11 0.00 0.11 0.00 0.00 30.24 26.45 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 -2.01 1.02 0.17 1.08 0.08 -1.26 -1.36 117.98 115.69 2kbi s PHE 1808Ca 0.00 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.45 2kbi s PHE 1808Cb 0.00 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.84 2kbi s PHE 1808CO 0.00 -0.01 -0.02 0.96 -0.10 0.00 0.00 175.22 176.05 2kbi s ILE 1809N -2.22 0.80 0.45 0.64 -4.36 -0.96 -4.74 121.20 110.81 2kbi s ILE 1809Ca 0.03 -1.99 -0.20 0.00 -0.26 0.00 0.00 60.65 58.22 2kbi s ILE 1809Cb -0.04 -2.06 -0.10 0.00 1.25 0.00 0.00 42.46 41.50 2kbi s ILE 1809CO 0.00 -0.54 0.97 -1.61 0.24 0.00 0.00 174.94 174.00 2kbi s GLU 1810N -3.87 4.12 0.49 0.37 8.01 -1.26 -1.13 118.70 125.43 2kbi s GLU 1810Ca 0.22 1.14 0.23 0.00 0.01 0.00 0.00 54.97 56.57 2kbi s GLU 1810Cb 0.05 -2.16 1.28 0.00 -4.31 0.00 0.00 34.13 28.99 2kbi s GLU 1810CO 0.03 -0.13 2.03 -0.92 0.01 0.00 0.00 175.26 176.28 2kbi h TYR 1811N 1.73 0.00 0.00 1.61 5.03 -1.93 -1.79 116.97 121.63 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 0.16 0.00 0.66 -1.32 0.00 0.00 178.16 178.27 2kbi h SER 1812N 0.00 0.00 0.00 -2.11 4.64 -1.93 -3.17 113.55 110.98 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 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2kbi h SER 1812CO 0.02 0.00 -0.41 1.33 -0.87 0.00 0.00 176.83 176.90 2kbi n VAL 1813N -2.45 0.00 -0.29 0.95 0.24 -0.91 -4.73 118.33 111.14 2kbi n VAL 1813Ca 0.01 -0.32 0.03 0.00 -2.04 0.00 0.00 64.34 62.02 2kbi n VAL 1813Cb 0.20 0.82 0.24 0.00 -1.47 0.00 0.00 33.84 33.62 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 0.90 -2.11 1.34 6.46 -1.31 -0.39 115.31 120.21 2kbi h LEU 1814Ca 0.00 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2kbi h LEU 1814Cb 0.04 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 2kbi h LEU 1814CO 0.00 0.59 -0.03 0.77 -0.62 0.00 0.00 178.44 179.16 2kbi h SER 1815N 1.03 0.00 0.27 1.25 4.64 -1.85 0.44 113.55 119.33 2kbi h SER 1815Ca 0.37 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.35 2kbi h SER 1815Cb 0.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 2kbi h SER 1815CO -0.13 0.03 -1.94 -0.67 -0.87 0.00 0.00 176.83 173.25 2kbi n ASP 1816N -3.20 1.32 -0.12 4.97 2.03 -0.56 -3.75 116.55 117.25 2kbi n ASP 1816Ca -0.01 0.26 -0.07 0.00 0.52 0.00 0.00 54.79 55.48 2kbi n ASP 1816Cb 0.21 -0.27 0.01 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.03 0.40 -0.58 -0.67 3.57 -0.85 -1.19 116.94 117.65 2kbi h PHE 1817Ca -0.39 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.30 2kbi h PHE 1817Cb 2.04 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 2kbi h PHE 1817CO 0.03 0.23 0.43 0.00 -2.23 0.00 0.00 178.31 176.76 2kbi h ALA 1818N 1.18 2.53 -0.23 2.41 0.00 -1.08 -0.96 119.26 123.11 2kbi h ALA 1818Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kbi h ALA 1818Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kbi h ALA 1818CO -0.08 -0.72 0.00 -3.47 0.00 0.00 0.00 179.25 174.97 2kbi n ASP 1819N -4.32 3.21 -0.02 0.00 2.03 -0.90 -1.01 116.55 115.54 2kbi n ASP 1819Ca 0.11 -1.98 0.08 0.00 0.52 0.00 0.00 54.79 53.52 2kbi n ASP 1819Cb 0.66 -0.14 -0.17 0.00 -0.72 0.00 0.00 41.12 40.76 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 1.39 2.64 -1.04 -1.67 0.00 -0.37 -4.97 120.51 116.49 2kbi n ALA 1820Ca 0.17 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 2kbi n ALA 1820Cb 0.60 -0.67 0.13 0.00 0.00 0.00 0.00 19.45 19.51 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 -4.62 2.69 0.51 0.00 1.43 -1.15 -5.02 118.68 112.52 2kbi s LEU 1821Ca -0.08 1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.77 2kbi s LEU 1821Cb 0.13 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 2kbi s LEU 1821CO 0.89 -2.60 0.88 -0.44 0.23 0.00 0.00 176.35 175.32 2kbi s SER 1822N -3.14 6.35 0.66 2.29 0.01 -1.26 -4.57 113.70 114.04 2kbi s SER 1822Ca 0.64 1.20 -0.18 0.00 1.31 0.00 0.00 55.95 58.92 2kbi s SER 1822Cb -0.19 -2.36 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 2kbi s SER 1822CO 0.57 -0.63 1.28 -1.61 0.41 0.00 0.00 173.24 173.26 2kbi s GLU 1823N -4.60 2.50 0.06 12.44 2.02 -1.26 -1.74 118.70 128.11 2kbi s GLU 1823Ca 0.52 2.00 0.27 0.00 0.02 0.00 0.00 54.97 57.78 2kbi s GLU 1823Cb -0.10 -1.85 0.81 0.00 0.10 0.00 0.00 34.13 33.09 2kbi s GLU 1823CO 0.43 -1.62 1.66 -0.35 0.02 0.00 0.00 175.26 175.39 2kbi n PRO 1824N -2.02 0.10 0.23 0.39 -0.04 -1.26 -4.83 135.00 127.56 2kbi n PRO 1824Ca 0.15 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 2kbi n PRO 1824Cb 0.49 -1.58 0.55 0.00 -0.04 0.00 0.00 33.50 32.91 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 -9.13 1.53 3.38 -1.84 -3.44 115.31 105.81 2kbi h LEU 1825Ca 0.00 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.21 2kbi h LEU 1825Cb 0.58 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.36 2kbi h LEU 1825CO 0.00 0.20 0.61 -1.14 0.09 0.00 0.00 178.44 178.20 2kbi n ARG 1826N -4.01 0.75 -3.79 1.13 3.00 -0.71 -4.97 116.66 108.05 2kbi n ARG 1826Ca -0.02 0.27 -0.34 0.00 -0.00 0.00 0.00 57.85 57.76 2kbi n ARG 1826Cb 0.28 -1.88 -0.11 0.00 0.00 0.00 0.00 32.46 30.75 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 2.07 3.38 0.61 5.15 1.09 -0.18 -4.87 121.20 128.45 2kbi s ILE 1827Ca 0.95 -3.27 -0.18 0.00 -1.10 0.00 0.00 60.65 57.04 2kbi s ILE 1827Cb -1.15 -3.23 -0.02 0.00 -1.06 0.00 0.00 42.46 36.99 2kbi s ILE 1827CO 0.62 -0.89 1.21 0.00 -0.10 0.00 0.00 174.94 175.79 2kbi s ALA 1828N -0.39 2.48 0.63 9.38 0.00 -1.26 -3.78 121.76 128.83 2kbi s ALA 1828Ca 0.19 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 2kbi s ALA 1828Cb -0.20 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2kbi s ALA 1828CO -0.04 -1.27 1.17 0.15 0.00 0.00 0.00 175.76 175.77 2kbi s LYS 1829N -3.43 2.84 0.12 0.00 1.02 -1.26 -3.90 119.74 115.12 2kbi s LYS 1829Ca 0.77 1.69 -0.31 0.00 0.02 0.00 0.00 55.97 58.14 2kbi s LYS 1829Cb -0.30 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 2kbi s LYS 1829CO 0.35 -1.28 1.29 -1.25 -0.92 0.00 0.00 175.35 173.54 2kbi s PRO 1830N -3.60 4.39 0.00 -1.68 0.04 -1.26 -5.13 135.00 127.77 2kbi s PRO 1830Ca 0.74 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2kbi s PRO 1830Cb -0.27 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.00 2kbi s PRO 1830CO 0.36 -0.30 0.57 0.27 0.04 0.00 0.00 177.00 177.93 2kbi n ASN 1831N 3.57 1.14 -0.31 6.66 0.23 -1.25 -4.79 115.26 120.51 2kbi n ASN 1831Ca 0.09 -1.12 0.04 0.00 -0.53 0.00 0.00 54.58 53.06 2kbi n ASN 1831Cb 0.44 -0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.33 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 0.06 0.79 -0.27 -3.83 3.07 -1.95 -0.34 115.11 112.63 2kbi h GLN 1832Ca 0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 58.65 58.61 2kbi h GLN 1832Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2kbi h GLN 1832CO 0.00 0.52 -0.16 0.82 0.09 0.00 0.00 178.83 180.10 2kbi h ILE 1833N 0.81 1.30 -0.41 1.86 1.08 -1.99 -1.33 117.51 118.84 2kbi h ILE 1833Ca 0.42 -1.27 0.07 0.00 -0.39 0.00 0.00 64.86 63.69 2kbi h ILE 1833Cb 0.42 1.53 -0.06 0.00 -3.07 0.00 0.00 36.82 35.64 2kbi h ILE 1833CO -0.26 0.40 0.02 0.28 -0.69 0.00 0.00 178.15 177.90 2kbi h SER 1834N 0.33 -0.12 -0.19 1.72 0.02 -1.72 -1.85 113.55 111.74 2kbi h SER 1834Ca 0.06 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 2kbi h SER 1834Cb 0.69 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2kbi h SER 1834CO 0.05 -0.03 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.17 2kbi h LEU 1835N 0.13 0.83 -1.49 5.07 3.38 -1.06 -3.00 115.31 119.17 2kbi h LEU 1835Ca 0.20 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kbi h LEU 1835Cb 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2kbi h LEU 1835CO -0.31 1.16 0.36 0.40 0.09 0.00 0.00 178.44 180.13 2kbi h ILE 1836N 0.60 1.12 0.00 1.22 2.04 -1.02 -2.12 117.51 119.35 2kbi h ILE 1836Ca 0.03 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2kbi h ILE 1836Cb 1.04 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2kbi h ILE 1836CO 0.10 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.97 2kbi n ASN 1837N -4.46 0.45 -4.91 1.72 3.02 -0.72 -4.83 115.26 105.53 2kbi n ASN 1837Ca 0.05 0.57 -0.28 0.00 -0.03 0.00 0.00 54.58 54.90 2kbi n ASN 1837Cb 0.07 -0.68 0.08 0.00 -0.61 0.00 0.00 39.78 38.64 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 -3.12 2.13 -0.05 3.52 -1.94 -0.80 -5.02 119.30 114.03 2kbi s MET 1838Ca 0.09 0.00 0.14 0.00 -1.71 0.00 0.00 55.69 54.21 2kbi s MET 1838Cb 0.12 -2.04 0.48 0.00 2.01 0.00 0.00 34.83 35.41 2kbi s MET 1838CO 0.46 -1.41 1.37 -3.47 -0.01 0.00 0.00 175.02 171.96 2kbi n ASP 1839N -3.14 3.16 -4.60 3.03 2.03 -1.26 -5.01 116.55 110.76 2kbi n ASP 1839Ca 0.08 -2.18 -0.55 0.00 0.52 0.00 0.00 54.79 52.66 2kbi n ASP 1839Cb 0.60 -0.42 -0.07 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.84 2.25 -4.77 -2.67 4.77 -1.26 -4.98 117.00 111.19 2kbi n LEU 1840Ca 0.18 0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 56.70 2kbi n LEU 1840Cb 0.56 -1.17 0.22 0.00 -2.33 0.00 0.00 43.42 40.70 2kbi n LEU 1840CO 0.15 -0.52 0.76 -2.16 -1.33 0.00 0.00 177.39 174.29 2kbi s PRO 1841N 4.57 -0.36 -0.30 3.23 0.04 -1.26 -5.09 135.00 135.83 2kbi s PRO 1841Ca 1.03 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 2kbi s PRO 1841Cb -1.02 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 31.90 2kbi s PRO 1841CO 0.60 -3.10 0.10 -1.64 0.04 0.00 0.00 177.00 173.00 2kbi s MET 1842N -5.68 0.65 0.40 4.56 -1.94 -1.26 -4.52 119.30 111.51 2kbi s MET 1842Ca 0.73 -0.99 0.20 0.00 -1.71 0.00 0.00 55.69 53.92 2kbi s MET 1842Cb -0.06 -1.90 0.80 0.00 2.01 0.00 0.00 34.83 35.68 2kbi s MET 1842CO 0.55 -0.98 1.79 -0.39 -0.01 0.00 0.00 175.02 175.97 2kbi h VAL 1843N 6.48 0.80 0.00 -6.03 -1.51 -1.12 -3.28 116.25 111.59 2kbi h VAL 1843Ca -0.14 -1.34 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2kbi h VAL 1843Cb 1.02 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 2kbi h VAL 1843CO 0.46 0.31 0.00 -1.54 -1.23 0.00 0.00 177.57 175.58 2kbi n SER 1844N -3.54 0.79 0.00 4.19 3.41 -1.26 -4.96 113.62 112.24 2kbi n SER 1844Ca -0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2kbi n SER 1844Cb 0.46 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.18 0.67 2.00 5.00 0.00 -1.24 -4.85 105.19 106.96 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 1.34 0.00 0.00 0.00 173.32 174.66 2kbi n ASP 1846N 0.00 -0.07 -4.74 1.61 -0.08 -1.26 -5.02 116.55 106.98 2kbi n ASP 1846Ca 0.00 0.03 -0.33 0.00 -1.51 0.00 0.00 54.79 52.97 2kbi n ASP 1846Cb 0.00 0.25 0.08 0.00 2.34 0.00 0.00 41.12 43.79 2kbi n ASP 1846CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2kbi s ARG 1847N -2.00 2.37 -0.04 -0.67 0.52 -1.26 -3.62 118.95 114.25 2kbi s ARG 1847Ca 0.00 1.56 0.03 0.00 -0.52 0.00 0.00 55.73 56.80 2kbi s ARG 1847Cb 0.00 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.59 2kbi s ARG 1847CO 0.00 -1.62 -0.11 0.42 0.02 0.00 0.00 175.30 174.01 2kbi s ILE 1848N -2.21 0.97 0.23 1.52 1.09 -0.28 -0.56 121.20 121.95 2kbi s ILE 1848Ca 0.70 -0.44 -0.30 0.00 -1.10 0.00 0.00 60.65 59.52 2kbi s ILE 1848Cb -0.25 -0.87 -0.09 0.00 -1.06 0.00 0.00 42.46 40.20 2kbi s ILE 1848CO 0.45 0.30 1.18 -2.28 -0.10 0.00 0.00 174.94 174.49 2kbi s HIS 1849N 0.33 3.43 0.16 3.97 5.65 -1.26 -2.26 115.29 125.32 2kbi s HIS 1849Ca -0.07 1.50 -0.26 0.00 0.25 0.00 0.00 55.06 56.49 2kbi s HIS 1849Cb -0.11 -3.41 0.03 0.00 -1.18 0.00 0.00 32.58 27.90 2kbi s HIS 1849CO 0.02 -1.08 1.57 0.00 -0.65 0.00 0.00 174.74 174.59 2kbi h MET 1851N -0.27 0.00 -0.16 0.00 2.86 -1.94 -1.25 114.93 114.17 2kbi h MET 1851Ca 0.17 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 2kbi h MET 1851Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 2kbi h MET 1851CO -0.63 0.35 -0.61 -0.44 1.06 0.00 0.00 176.91 176.63 2kbi h ASP 1852N 0.00 0.64 -0.04 1.22 5.19 -1.88 -0.08 116.42 121.47 2kbi h ASP 1852Ca -0.00 -0.37 -0.00 0.00 -0.62 0.00 0.00 57.03 56.03 2kbi h ASP 1852Cb 0.71 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.04 2kbi h ASP 1852CO 0.05 1.10 0.01 0.40 -3.12 0.00 0.00 179.24 177.68 2kbi h ILE 1853N 0.42 1.19 -0.37 0.35 2.04 -1.22 -2.42 117.51 117.50 2kbi h ILE 1853Ca -0.01 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.35 2kbi h ILE 1853Cb 1.18 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.71 2kbi h ILE 1853CO 0.12 0.16 -0.02 0.25 0.00 0.00 0.00 178.15 178.65 2kbi h LEU 1854N -0.17 -0.19 -0.26 1.44 6.46 -1.17 -0.51 115.31 120.91 2kbi h LEU 1854Ca 0.01 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 2kbi h LEU 1854Cb 0.24 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 2kbi h LEU 1854CO 0.00 -0.06 0.02 0.15 -0.62 0.00 0.00 178.44 177.93 2kbi h PHE 1855N 0.08 0.02 -0.25 1.25 3.57 -1.00 0.42 116.94 121.02 2kbi h PHE 1855Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2kbi h PHE 1855Cb 0.26 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2kbi h PHE 1855CO -0.27 -0.02 0.16 0.00 -2.23 0.00 0.00 178.31 175.95 2kbi h ALA 1856N 1.21 0.32 -0.38 2.41 0.00 -1.09 -1.58 119.26 120.16 2kbi h ALA 1856Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2kbi h ALA 1856Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kbi h ALA 1856CO -0.19 -0.19 -0.18 0.74 0.00 0.00 0.00 179.25 179.42 2kbi h PHE 1857N 0.34 0.80 -0.08 0.00 -1.00 -0.80 -2.98 116.94 113.21 2kbi h PHE 1857Ca 0.09 -0.17 -0.17 0.00 2.81 0.00 0.00 57.97 60.54 2kbi h PHE 1857Cb -0.02 -0.20 0.01 0.00 3.61 0.00 0.00 35.95 39.35 2kbi h PHE 1857CO -0.06 0.85 -0.59 1.79 -1.61 0.00 0.00 178.31 178.69 2kbi h THR 1858N 0.64 1.36 -0.99 -1.55 1.35 -0.92 -3.31 112.91 109.49 2kbi h THR 1858Ca 0.10 -1.92 0.13 0.00 -0.55 0.00 0.00 66.41 64.17 2kbi h THR 1858Cb 0.66 2.25 -0.08 0.00 -1.73 0.00 0.00 68.15 69.25 2kbi h THR 1858CO 0.05 0.58 0.62 0.11 -0.25 0.00 0.00 175.52 176.63 2kbi h LYS 1859N 0.15 0.91 -0.56 4.72 1.57 -1.25 0.08 116.57 122.19 2kbi h LYS 1859Ca -0.05 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.78 2kbi h LYS 1859Cb 1.25 -0.21 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 2kbi h LYS 1859CO 0.12 0.60 0.09 -0.09 -0.57 0.00 0.00 179.45 179.60 2kbi h ARG 1860N 0.94 0.21 -0.12 3.15 2.43 -1.61 -0.40 114.38 118.97 2kbi h ARG 1860Ca 0.50 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.50 2kbi h ARG 1860Cb 0.55 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2kbi h ARG 1860CO -0.27 0.14 -0.52 0.28 -1.51 0.00 0.00 179.97 178.09 2kbi h VAL 1861N 0.22 1.35 0.00 0.20 2.07 -1.32 -3.25 116.25 115.51 2kbi h VAL 1861Ca 0.29 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2kbi h VAL 1861Cb 0.42 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 2kbi h VAL 1861CO -0.39 0.55 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 2kbi h LEU 1862N 0.20 0.00 0.00 2.57 3.38 -0.80 -3.47 115.31 117.19 2kbi h LEU 1862Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kbi h LEU 1862Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 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 -0.37 0.38 1.04 0.83 0.00 -0.30 -4.97 105.19 101.81 2kbi n GLY 1863Ca 0.01 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.96 2.40 0.00 1.61 1.02 -0.39 -5.03 120.64 117.29 2kbi n GLU 1864Ca 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.07 2kbi n GLU 1864Cb 0.01 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2kbi n GLU 1864CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74