#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 -0.30 0.31 1.61 0.04 -1.26 -5.11 135.00 130.29 2kbi s PRO -3 Ca 0.00 0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.05 2kbi s PRO -3 Cb 0.00 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2kbi s PRO -3 CO 0.00 -3.13 0.52 0.41 0.04 0.00 0.00 177.00 174.84 2kbi n GLY -2 N -1.50 1.81 3.16 0.56 0.00 -1.26 -5.19 105.19 102.76 2kbi n GLY -2 Ca 0.11 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 2kbi n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kbi s SER -1 N -2.81 0.31 -0.42 1.61 0.01 -1.26 -4.99 113.70 106.14 2kbi s SER -1 Ca 0.20 -1.11 -0.32 0.00 1.31 0.00 0.00 55.95 56.03 2kbi s SER -1 Cb -0.02 0.29 0.05 0.00 0.21 0.00 0.00 66.02 66.55 2kbi s SER -1 CO 0.15 -0.72 0.61 1.21 0.41 0.00 0.00 173.24 174.90 2kbi n GLU 1773N -0.07 -1.98 -2.02 12.44 2.13 -1.26 -3.53 120.64 126.35 2kbi n GLU 1773Ca -0.08 1.57 -0.20 0.00 0.66 0.00 0.00 57.16 59.12 2kbi n GLU 1773Cb 0.63 -2.85 -0.04 0.00 0.27 0.00 0.00 31.44 29.45 2kbi n GLU 1773CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2kbi n ASN 1774N -0.13 -5.46 0.16 4.31 2.85 -1.26 -4.89 115.26 110.84 2kbi n ASN 1774Ca -0.04 0.23 0.10 0.00 -0.11 0.00 0.00 54.58 54.77 2kbi n ASN 1774Cb 0.62 -4.68 0.56 0.00 1.24 0.00 0.00 39.78 37.52 2kbi n ASN 1774CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2kbi n PHE 1775N -3.18 0.70 -1.18 1.20 -1.74 -1.23 -4.15 117.46 107.88 2kbi n PHE 1775Ca -0.22 0.36 -0.41 0.00 -0.56 0.00 0.00 57.45 56.62 2kbi n PHE 1775Cb 0.67 -1.08 -0.05 0.00 1.52 0.00 0.00 39.48 40.54 2kbi n PHE 1775CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2kbi n SER 1776N -2.22 2.94 0.00 5.98 7.64 -1.26 -4.78 113.62 121.93 2kbi n SER 1776Ca -0.01 -2.66 0.09 0.00 1.01 0.00 0.00 58.87 57.29 2kbi n SER 1776Cb 0.04 -1.18 0.43 0.00 -1.01 0.00 0.00 64.21 62.49 2kbi n SER 1776CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kbi n VAL 1777N 5.71 0.57 -1.93 0.44 0.24 -1.26 -4.91 118.33 117.19 2kbi n VAL 1777Ca 0.50 0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 62.79 2kbi n VAL 1777Cb 0.38 -0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 31.86 2kbi n VAL 1777CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kbi n ALA 1778N -1.35 -0.48 -3.47 2.33 0.00 -1.26 -4.94 120.51 111.35 2kbi n ALA 1778Ca 0.07 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 2kbi n ALA 1778Cb 0.16 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 2kbi n ALA 1778CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kbi n THR 1779N -2.79 0.00 -1.43 0.00 5.66 -1.26 -5.17 114.28 109.30 2kbi n THR 1779Ca -0.17 -0.86 -0.36 0.00 -3.05 0.00 0.00 64.05 59.62 2kbi n THR 1779Cb 0.57 0.47 0.09 0.00 -1.55 0.00 0.00 70.33 69.90 2kbi n THR 1779CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kbi n GLU 1780N -0.25 0.63 0.00 1.09 -0.58 -1.26 -4.94 120.64 115.34 2kbi n GLU 1780Ca 0.02 0.27 0.10 0.00 -0.42 0.00 0.00 57.16 57.13 2kbi n GLU 1780Cb 0.24 -2.33 0.51 0.00 -0.57 0.00 0.00 31.44 29.29 2kbi n GLU 1780CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2kbi n GLU 1781N -2.04 0.19 -4.05 3.49 0.28 -1.26 -4.78 120.64 112.47 2kbi n GLU 1781Ca 0.14 0.10 -0.09 0.00 -0.16 0.00 0.00 57.16 57.16 2kbi n GLU 1781Cb 0.49 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.76 2kbi n GLU 1781CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kbi s SER 1782N -2.74 0.47 -0.33 -1.84 0.01 -1.26 -5.15 113.70 102.86 2kbi s SER 1782Ca 0.16 -0.77 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 2kbi s SER 1782Cb 0.14 0.14 0.12 0.00 0.21 0.00 0.00 66.02 66.63 2kbi s SER 1782CO 0.35 -0.44 0.17 -0.89 0.41 0.00 0.00 173.24 172.84 2kbi s THR 1783N -2.76 0.29 0.67 1.44 2.01 -1.26 -5.14 115.64 110.89 2kbi s THR 1783Ca -0.03 -1.42 -0.15 0.00 0.31 0.00 0.00 61.69 60.40 2kbi s THR 1783Cb -0.01 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.28 2kbi s THR 1783CO -0.05 -0.85 1.12 -1.61 -0.69 0.00 0.00 174.62 172.54 2kbi s GLU 1784N 1.43 2.70 0.00 4.92 2.02 -1.26 -4.97 118.70 123.54 2kbi s GLU 1784Ca 0.14 1.44 0.25 0.00 0.02 0.00 0.00 54.97 56.82 2kbi s GLU 1784Cb -0.20 -1.93 1.24 0.00 0.10 0.00 0.00 34.13 33.33 2kbi s GLU 1784CO -0.16 -1.34 1.85 -0.35 0.02 0.00 0.00 175.26 175.28 2kbi n PRO 1785N -2.48 0.28 -4.24 0.39 -0.04 -1.26 -4.79 135.00 122.86 2kbi n PRO 1785Ca 0.11 0.05 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2kbi n PRO 1785Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.67 2.46 0.30 1.53 1.43 -1.26 -5.04 118.68 115.43 2kbi s LEU 1786Ca 0.21 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2kbi s LEU 1786Cb 0.17 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.91 2kbi s LEU 1786CO 0.40 -0.22 0.33 -0.94 0.23 0.00 0.00 176.35 176.15 2kbi s SER 1787N -2.76 0.96 0.58 2.29 1.04 -1.26 -5.05 113.70 109.50 2kbi s SER 1787Ca 0.12 -1.52 0.29 0.00 0.48 0.00 0.00 55.95 55.32 2kbi s SER 1787Cb -0.02 0.56 1.78 0.00 0.10 0.00 0.00 66.02 68.44 2kbi s SER 1787CO 0.02 -1.11 2.23 -0.33 0.98 0.00 0.00 173.24 175.04 2kbi h GLU 1788N 2.23 0.00 -0.44 4.02 5.08 -2.02 -2.34 114.58 121.11 2kbi h GLU 1788Ca -0.28 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 2kbi h GLU 1788Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2kbi h GLU 1788CO 0.40 0.02 -0.14 0.22 -1.00 0.00 0.00 179.01 178.51 2kbi h ASP 1789N 0.00 0.81 -0.46 1.42 3.58 -1.98 -0.08 116.42 119.71 2kbi h ASP 1789Ca -0.00 -0.26 -0.11 0.00 0.42 0.00 0.00 57.03 57.08 2kbi h ASP 1789Cb 0.04 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2kbi h ASP 1789CO 0.00 0.96 -0.14 0.44 -2.88 0.00 0.00 179.24 177.62 2kbi h ASP 1790N 0.72 0.91 -0.37 2.28 3.32 -1.84 -1.52 116.42 119.93 2kbi h ASP 1790Ca 0.12 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.70 2kbi h ASP 1790Cb 0.64 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2kbi h ASP 1790CO 0.04 1.08 -0.12 -0.26 -1.72 0.00 0.00 179.24 178.26 2kbi h PHE 1791N 0.74 0.84 -0.82 4.55 0.04 -1.43 -1.89 116.94 118.96 2kbi h PHE 1791Ca 0.11 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.71 2kbi h PHE 1791Cb 0.70 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 2kbi h PHE 1791CO 0.05 0.90 0.54 0.22 -0.60 0.00 0.00 178.31 179.42 2kbi h ASP 1792N 0.54 0.90 -0.16 2.17 3.58 -0.99 -0.74 116.42 121.72 2kbi h ASP 1792Ca 0.09 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.55 2kbi h ASP 1792Cb 0.65 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 2kbi h ASP 1792CO 0.04 0.64 0.00 -0.03 -2.88 0.00 0.00 179.24 177.01 2kbi h MET 1793N 1.06 0.06 -0.16 0.28 4.05 -1.20 -0.81 114.93 118.21 2kbi h MET 1793Ca 0.32 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.78 2kbi h MET 1793Cb -0.05 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.70 2kbi h MET 1793CO -0.10 0.04 -0.12 0.35 0.23 0.00 0.00 176.91 177.31 2kbi h PHE 1794N 0.06 -0.30 -0.84 1.39 3.04 -0.78 -1.62 116.94 117.90 2kbi h PHE 1794Ca 0.08 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 2kbi h PHE 1794Cb 0.09 0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 2kbi h PHE 1794CO -0.16 -0.18 0.47 1.88 -2.02 0.00 0.00 178.31 178.30 2kbi h TYR 1795N -0.13 1.13 0.14 0.41 0.05 -1.02 0.30 116.97 117.86 2kbi h TYR 1795Ca 0.10 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 2kbi h TYR 1795Cb 0.27 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.65 2kbi h TYR 1795CO -0.26 0.77 -0.07 1.49 -1.05 0.00 0.00 178.16 179.05 2kbi h GLU 1796N 1.16 -0.18 0.00 4.88 4.81 -0.93 -3.11 114.58 121.21 2kbi h GLU 1796Ca 0.30 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 2kbi h GLU 1796Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2kbi h GLU 1796CO -0.05 0.04 -0.47 0.82 -0.73 0.00 0.00 179.01 178.62 2kbi h ILE 1797N -0.37 1.28 -0.73 2.32 1.08 -1.18 -3.15 117.51 116.76 2kbi h ILE 1797Ca -0.02 -1.63 0.05 0.00 -0.39 0.00 0.00 64.86 62.87 2kbi h ILE 1797Cb 0.30 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.89 2kbi h ILE 1797CO 0.03 0.46 0.44 -0.25 -0.69 0.00 0.00 178.15 178.14 2kbi h TRP 1798N 0.00 0.82 0.00 1.37 2.91 -0.92 -2.78 115.95 117.35 2kbi h TRP 1798Ca -0.00 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.04 2kbi h TRP 1798Cb 0.85 -0.26 -0.00 0.00 -0.51 0.00 0.00 29.16 29.24 2kbi h TRP 1798CO 0.00 0.44 -0.01 1.49 -1.03 0.00 0.00 178.44 179.32 2kbi h GLU 1799N 0.84 0.00 0.00 2.65 4.81 -1.49 -0.67 114.58 120.71 2kbi h GLU 1799Ca 0.31 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.51 2kbi h GLU 1799Cb 0.10 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 2kbi h GLU 1799CO -0.14 0.01 -0.15 0.87 -0.73 0.00 0.00 179.01 178.87 2kbi h LYS 1800N 0.00 0.00 0.00 1.92 1.79 -1.64 -2.94 116.57 115.70 2kbi h LYS 1800Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kbi h LYS 1800Cb 0.05 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2kbi h LYS 1800CO 0.00 0.15 -1.40 1.19 -1.08 0.00 0.00 179.45 178.31 2kbi n PHE 1801N -3.57 0.00 -3.55 -1.35 3.72 -0.58 -4.78 117.46 107.35 2kbi n PHE 1801Ca -0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.12 2kbi n PHE 1801Cb 0.29 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.53 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 -1.80 2.57 0.11 4.37 2.03 -0.36 -4.92 116.55 118.55 2kbi n ASP 1802Ca -0.02 -3.15 0.12 0.00 0.52 0.00 0.00 54.79 52.27 2kbi n ASP 1802Cb 0.23 -0.68 0.46 0.00 -0.72 0.00 0.00 41.12 40.40 2kbi n ASP 1802CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2kbi n PRO 1803N 1.52 0.20 0.10 -0.67 -0.04 -1.11 -2.92 135.00 132.07 2kbi n PRO 1803Ca 0.25 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 2kbi n PRO 1803Cb 0.41 -1.81 0.44 0.00 -0.04 0.00 0.00 33.50 32.50 2kbi n PRO 1803CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kbi n GLU 1804N -2.18 0.22 -1.98 0.54 1.02 -1.26 -4.94 120.64 112.06 2kbi n GLU 1804Ca 0.04 0.24 -0.15 0.00 -0.02 0.00 0.00 57.16 57.27 2kbi n GLU 1804Cb 0.30 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.75 -0.50 0.39 0.62 0.00 -1.15 -4.89 120.51 113.23 2kbi n ALA 1805Ca 0.05 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.76 2kbi n ALA 1805Cb 0.37 -1.63 0.42 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.86 0.95 -1.33 0.00 5.66 -1.26 -4.90 114.28 110.55 2kbi n THR 1806Ca -0.16 0.29 -0.11 0.00 -3.05 0.00 0.00 64.05 61.01 2kbi n THR 1806Cb 0.57 -1.17 -0.05 0.00 -1.55 0.00 0.00 70.33 68.13 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 -1.97 -0.96 -4.16 1.09 6.02 -1.26 -5.02 117.38 111.12 2kbi n GLN 1807Ca 0.02 0.88 -0.17 0.00 -0.01 0.00 0.00 57.00 57.71 2kbi n GLN 1807Cb 0.18 -4.92 -0.12 0.00 1.02 0.00 0.00 30.24 26.41 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 -2.34 1.15 0.12 1.08 0.08 -1.26 -1.34 117.98 115.46 2kbi s PHE 1808Ca 0.00 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.57 2kbi s PHE 1808Cb 0.00 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 2kbi s PHE 1808CO 0.00 0.04 0.00 0.96 -0.10 0.00 0.00 175.22 176.12 2kbi s ILE 1809N -1.43 0.39 0.50 0.64 -4.36 -0.94 -4.82 121.20 111.18 2kbi s ILE 1809Ca -0.02 -1.91 -0.19 0.00 -0.26 0.00 0.00 60.65 58.27 2kbi s ILE 1809Cb -0.09 -1.89 -0.08 0.00 1.25 0.00 0.00 42.46 41.65 2kbi s ILE 1809CO 0.02 -0.66 1.01 -1.61 0.24 0.00 0.00 174.94 173.94 2kbi s GLU 1810N -3.94 3.85 0.36 0.37 2.02 -1.26 -1.08 118.70 119.02 2kbi s GLU 1810Ca 0.18 1.20 0.07 0.00 0.02 0.00 0.00 54.97 56.44 2kbi s GLU 1810Cb 0.07 -2.11 0.76 0.00 0.10 0.00 0.00 34.13 32.95 2kbi s GLU 1810CO -0.01 -0.37 1.94 -0.92 0.02 0.00 0.00 175.26 175.92 2kbi h TYR 1811N 1.34 0.77 0.00 1.61 3.20 -1.76 -1.34 116.97 120.79 2kbi h TYR 1811Ca -0.48 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.41 2kbi h TYR 1811Cb 1.20 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2kbi h TYR 1811CO 0.60 0.38 0.00 0.77 -1.64 0.00 0.00 178.16 178.27 2kbi h SER 1812N 0.74 0.00 0.00 -2.11 0.02 -1.94 -2.94 113.55 107.33 2kbi h SER 1812Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2kbi h SER 1812Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2kbi h SER 1812CO -0.12 0.00 -0.58 1.33 -1.14 0.00 0.00 176.83 176.32 2kbi n VAL 1813N -2.95 0.00 -0.29 2.27 0.24 -0.83 -4.53 118.33 112.24 2kbi n VAL 1813Ca -0.02 -0.29 0.04 0.00 -2.04 0.00 0.00 64.34 62.03 2kbi n VAL 1813Cb 0.14 0.78 0.18 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.61 -0.78 1.34 6.46 -1.08 -0.20 115.31 121.65 2kbi h LEU 1814Ca 0.00 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 2kbi h LEU 1814Cb 0.15 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.96 2kbi h LEU 1814CO 0.00 0.33 0.44 0.28 -0.62 0.00 0.00 178.44 178.87 2kbi h SER 1815N 0.72 0.64 0.30 1.25 0.02 -1.79 0.58 113.55 115.27 2kbi h SER 1815Ca 0.41 0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 61.14 2kbi h SER 1815Cb 0.44 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.91 2kbi h SER 1815CO -0.28 0.38 -1.11 -0.78 -1.14 0.00 0.00 176.83 173.90 2kbi h ASP 1816N 0.76 0.65 -0.40 3.07 3.58 -1.66 -3.17 116.42 119.25 2kbi h ASP 1816Ca 0.37 -0.58 0.02 0.00 0.42 0.00 0.00 57.03 57.27 2kbi h ASP 1816Cb 0.31 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2kbi h ASP 1816CO -0.23 1.40 0.22 0.15 -2.88 0.00 0.00 179.24 177.90 2kbi h PHE 1817N 0.23 0.41 -0.29 0.28 3.57 -0.79 -2.04 116.94 118.31 2kbi h PHE 1817Ca -0.13 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.47 2kbi h PHE 1817Cb 1.77 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 2kbi h PHE 1817CO 0.08 0.23 0.24 0.00 -2.23 0.00 0.00 178.31 176.63 2kbi h ALA 1818N 1.19 2.15 -0.01 2.41 0.00 -0.94 -0.97 119.26 123.10 2kbi h ALA 1818Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kbi h ALA 1818Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kbi h ALA 1818CO -0.10 -0.39 -0.46 -3.47 0.00 0.00 0.00 179.25 174.83 2kbi n ASP 1819N -4.20 1.14 0.12 0.00 2.03 -0.97 -1.07 116.55 113.60 2kbi n ASP 1819Ca 0.04 -0.91 0.11 0.00 0.52 0.00 0.00 54.79 54.55 2kbi n ASP 1819Cb 0.40 0.36 0.02 0.00 -0.72 0.00 0.00 41.12 41.17 2kbi n ASP 1819CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbi h ALA 1820N 3.49 0.57 -2.40 -1.67 0.00 -0.46 -3.48 119.26 115.31 2kbi h ALA 1820Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.44 2kbi h ALA 1820Cb 0.56 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.50 2kbi h ALA 1820CO 0.00 0.02 0.26 -0.51 0.00 0.00 0.00 179.25 179.02 2kbi s LEU 1821N -5.48 1.81 0.34 0.00 1.43 -1.20 -5.03 118.68 110.54 2kbi s LEU 1821Ca 0.00 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.12 2kbi s LEU 1821Cb 0.09 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 2kbi s LEU 1821CO 0.78 -2.86 0.44 -0.55 0.23 0.00 0.00 176.35 174.38 2kbi s SER 1822N -3.91 5.80 0.76 2.29 0.15 -1.26 -4.66 113.70 112.87 2kbi s SER 1822Ca 0.65 -0.27 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 2kbi s SER 1822Cb -0.15 -1.13 0.06 0.00 -1.71 0.00 0.00 66.02 63.09 2kbi s SER 1822CO 0.55 -0.44 1.19 -1.61 1.20 0.00 0.00 173.24 174.12 2kbi s GLU 1823N -4.15 1.97 0.53 5.44 2.02 -1.26 -1.47 118.70 121.78 2kbi s GLU 1823Ca 0.45 1.68 0.31 0.00 0.02 0.00 0.00 54.97 57.43 2kbi s GLU 1823Cb -0.09 -1.82 1.31 0.00 0.10 0.00 0.00 34.13 33.63 2kbi s GLU 1823CO 0.30 -1.95 1.97 -1.35 0.02 0.00 0.00 175.26 174.25 2kbi h PRO 1824N -0.61 0.00 0.00 0.39 0.11 -2.00 -3.45 132.00 126.44 2kbi h PRO 1824Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2kbi h PRO 1824Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2kbi h PRO 1824CO 0.48 0.06 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.04 2kbi h LEU 1825N 0.00 0.00 -9.50 2.35 3.38 -1.84 -3.44 115.31 106.26 2kbi h LEU 1825Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2kbi h LEU 1825Cb 0.54 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.38 2kbi h LEU 1825CO 0.01 0.23 0.34 -1.14 0.09 0.00 0.00 178.44 177.96 2kbi n ARG 1826N -3.64 1.57 -3.88 1.13 3.00 -0.54 -4.96 116.66 109.34 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 0.35 -2.06 -0.14 0.00 0.00 0.00 0.00 32.46 30.61 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 -0.58 1.84 0.51 5.15 1.09 -0.23 -4.83 121.20 124.15 2kbi s ILE 1827Ca 0.64 -2.35 -0.23 0.00 -1.10 0.00 0.00 60.65 57.61 2kbi s ILE 1827Cb -0.71 -2.33 -0.06 0.00 -1.06 0.00 0.00 42.46 38.30 2kbi s ILE 1827CO 0.56 -0.71 1.37 0.00 -0.10 0.00 0.00 174.94 176.06 2kbi s ALA 1828N 0.73 2.95 0.71 9.38 0.00 -1.26 -3.82 121.76 130.45 2kbi s ALA 1828Ca 0.13 1.36 -0.15 0.00 0.00 0.00 0.00 51.96 53.30 2kbi s ALA 1828Cb -0.21 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.37 2kbi s ALA 1828CO -0.09 -1.30 1.17 0.15 0.00 0.00 0.00 175.76 175.69 2kbi s LYS 1829N -2.76 2.35 0.12 0.00 1.02 -1.26 -4.12 119.74 115.09 2kbi s LYS 1829Ca 0.68 1.62 -0.31 0.00 0.02 0.00 0.00 55.97 57.98 2kbi s LYS 1829Cb -0.41 -1.87 -0.07 0.00 -0.52 0.00 0.00 37.83 34.95 2kbi s LYS 1829CO 0.50 -1.64 1.30 -1.25 -0.92 0.00 0.00 175.35 173.33 2kbi s PRO 1830N -4.00 4.38 0.00 -1.68 0.04 -1.26 -5.14 135.00 127.35 2kbi s PRO 1830Ca 0.71 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2kbi s PRO 1830Cb -0.26 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.02 2kbi s PRO 1830CO 0.44 -0.31 0.47 0.27 0.04 0.00 0.00 177.00 177.91 2kbi n ASN 1831N 3.53 0.90 -0.15 6.66 0.23 -1.26 -4.74 115.26 120.43 2kbi n ASN 1831Ca 0.09 -1.11 0.08 0.00 -0.53 0.00 0.00 54.58 53.10 2kbi n ASN 1831Cb 0.44 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.65 -0.27 -3.83 3.07 -1.95 -1.33 115.11 111.45 2kbi h GLN 1832Ca 0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.53 2kbi h GLN 1832Cb 0.18 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 27.59 2kbi h GLN 1832CO 0.00 0.43 -0.51 0.82 0.09 0.00 0.00 178.83 179.66 2kbi h ILE 1833N 0.67 1.29 -0.36 1.86 1.08 -2.00 -2.88 117.51 117.17 2kbi h ILE 1833Ca 0.30 -1.71 0.03 0.00 -0.39 0.00 0.00 64.86 63.09 2kbi h ILE 1833Cb 0.31 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 2kbi h ILE 1833CO -0.10 0.55 0.17 0.28 -0.69 0.00 0.00 178.15 178.36 2kbi h SER 1834N 0.60 0.24 -0.88 1.72 0.02 -1.63 -1.82 113.55 111.81 2kbi h SER 1834Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kbi h SER 1834Cb 1.09 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2kbi h SER 1834CO 0.11 0.18 0.56 -0.07 -1.14 0.00 0.00 176.83 176.47 2kbi h LEU 1835N 0.35 1.02 -1.40 5.07 3.38 -1.26 -2.03 115.31 120.44 2kbi h LEU 1835Ca 0.15 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2kbi h LEU 1835Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2kbi h LEU 1835CO -0.11 0.76 -0.15 0.40 0.09 0.00 0.00 178.44 179.43 2kbi h ILE 1836N 1.19 1.18 0.00 1.22 2.04 -1.27 -2.66 117.51 119.22 2kbi h ILE 1836Ca 0.32 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2kbi h ILE 1836Cb -0.10 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2kbi h ILE 1836CO -0.07 0.25 -0.00 0.78 0.00 0.00 0.00 178.15 179.11 2kbi h ASN 1837N 0.20 0.00 -4.29 1.72 2.35 -0.79 -3.46 115.58 111.30 2kbi h ASN 1837Ca 0.04 -0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.31 2kbi h ASN 1837Cb 0.39 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.88 2kbi h ASN 1837CO 0.02 0.00 0.33 -0.04 -1.65 0.00 0.00 177.43 176.09 2kbi s MET 1838N -3.21 1.69 -0.05 0.81 -1.94 -0.81 -5.00 119.30 110.80 2kbi s MET 1838Ca 0.07 0.45 0.09 0.00 -1.71 0.00 0.00 55.69 54.59 2kbi s MET 1838Cb 0.05 -1.89 0.35 0.00 2.01 0.00 0.00 34.83 35.35 2kbi s MET 1838CO 0.67 -1.85 1.20 -3.47 -0.01 0.00 0.00 175.02 171.56 2kbi n ASP 1839N -3.56 2.47 -4.69 3.03 2.03 -1.26 -5.00 116.55 109.57 2kbi n ASP 1839Ca 0.07 -2.18 -0.55 0.00 0.52 0.00 0.00 54.79 52.65 2kbi n ASP 1839Cb 0.58 -0.38 -0.07 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.45 2.62 0.00 -2.67 4.77 -1.26 -4.99 117.00 115.91 2kbi n LEU 1840Ca 0.13 1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.83 2kbi n LEU 1840Cb 0.46 -1.20 0.22 0.00 -2.33 0.00 0.00 43.42 40.57 2kbi n LEU 1840CO 0.11 -0.36 0.77 -0.81 -1.33 0.00 0.00 177.39 175.77 2kbi n PRO 1841N 5.89 -1.92 -3.77 3.23 -0.04 -1.26 -5.11 135.00 132.02 2kbi n PRO 1841Ca 0.27 -1.90 -0.22 0.00 -0.04 0.00 0.00 63.50 61.61 2kbi n PRO 1841Cb 0.17 -1.43 -0.18 0.00 -0.04 0.00 0.00 33.50 32.03 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 -5.69 0.41 0.47 0.54 -1.94 -1.26 -4.69 119.30 107.15 2kbi s MET 1842Ca 0.72 0.17 0.26 0.00 -1.71 0.00 0.00 55.69 55.13 2kbi s MET 1842Cb -0.04 -0.81 0.72 0.00 2.01 0.00 0.00 34.83 36.72 2kbi s MET 1842CO 0.52 -0.29 1.75 -0.39 -0.01 0.00 0.00 175.02 176.60 2kbi h VAL 1843N 6.34 0.09 0.00 -6.03 -1.51 -1.39 -3.35 116.25 110.40 2kbi h VAL 1843Ca -0.20 -0.91 0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2kbi h VAL 1843Cb 1.12 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.12 2kbi h VAL 1843CO 0.26 0.04 0.00 -1.54 -1.23 0.00 0.00 177.57 175.10 2kbi n SER 1844N -3.12 0.02 0.00 4.19 3.41 -1.26 -5.00 113.62 111.86 2kbi n SER 1844Ca 0.02 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2kbi n SER 1844Cb 0.46 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.49 0.81 0.00 5.00 0.00 -1.26 -4.86 105.19 105.38 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 -4.52 1.61 5.68 -1.26 -5.06 116.55 113.00 2kbi n ASP 1846Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 2kbi n ASP 1846Cb 0.00 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 39.88 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 1.85 -0.02 0.11 0.52 -1.26 -1.97 118.95 118.18 2kbi s ARG 1847Ca 0.00 -1.56 -0.01 0.00 -0.52 0.00 0.00 55.73 53.64 2kbi s ARG 1847Cb 0.00 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.55 2kbi s ARG 1847CO 0.00 0.37 0.04 0.42 0.02 0.00 0.00 175.30 176.14 2kbi s ILE 1848N -2.17 -0.03 0.25 1.52 1.09 -0.24 -0.85 121.20 120.77 2kbi s ILE 1848Ca 0.28 0.11 -0.30 0.00 -1.10 0.00 0.00 60.65 59.63 2kbi s ILE 1848Cb -0.07 -0.07 -0.09 0.00 -1.06 0.00 0.00 42.46 41.17 2kbi s ILE 1848CO 0.15 0.04 1.00 -2.28 -0.10 0.00 0.00 174.94 173.76 2kbi s HIS 1849N 0.55 3.82 0.19 3.97 5.65 -1.26 -2.22 115.29 125.98 2kbi s HIS 1849Ca -0.04 1.83 -0.14 0.00 0.25 0.00 0.00 55.06 56.95 2kbi s HIS 1849Cb -0.06 -3.10 0.19 0.00 -1.18 0.00 0.00 32.58 28.43 2kbi s HIS 1849CO -0.02 0.05 1.68 0.00 -0.65 0.00 0.00 174.74 175.80 2kbi h MET 1851N 0.09 0.98 -0.22 0.00 2.86 -1.95 -1.58 114.93 115.12 2kbi h MET 1851Ca 0.25 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2kbi h MET 1851Cb 0.39 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2kbi h MET 1851CO -0.44 0.91 -0.42 -0.44 1.06 0.00 0.00 176.91 177.59 2kbi h ASP 1852N 0.92 0.56 0.10 1.22 5.19 -1.87 0.01 116.42 122.55 2kbi h ASP 1852Ca 0.18 -0.25 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2kbi h ASP 1852Cb 0.42 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2kbi h ASP 1852CO 0.01 0.91 -0.05 0.40 -3.12 0.00 0.00 179.24 177.40 2kbi h ILE 1853N 0.43 1.03 -0.19 0.35 2.04 -1.27 -1.80 117.51 118.11 2kbi h ILE 1853Ca 0.04 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2kbi h ILE 1853Cb 0.91 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 2kbi h ILE 1853CO 0.08 0.12 -0.11 0.25 0.00 0.00 0.00 178.15 178.48 2kbi h LEU 1854N -0.35 -0.37 -0.48 1.44 5.85 -1.19 -1.97 115.31 118.23 2kbi h LEU 1854Ca -0.01 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2kbi h LEU 1854Cb 0.29 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2kbi h LEU 1854CO 0.02 -0.15 0.11 0.15 -0.34 0.00 0.00 178.44 178.24 2kbi h PHE 1855N -0.11 0.19 -0.92 1.25 3.57 -0.98 0.47 116.94 120.41 2kbi h PHE 1855Ca 0.11 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.67 2kbi h PHE 1855Cb 0.27 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2kbi h PHE 1855CO -0.26 0.02 0.59 0.00 -2.23 0.00 0.00 178.31 176.43 2kbi h ALA 1856N 1.36 1.22 -0.14 2.41 0.00 -1.11 -2.22 119.26 120.78 2kbi h ALA 1856Ca 0.24 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2kbi h ALA 1856Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kbi h ALA 1856CO -0.30 0.44 -0.58 0.74 0.00 0.00 0.00 179.25 179.56 2kbi h PHE 1857N 1.14 0.57 0.00 0.00 -1.00 -0.54 -3.34 116.94 113.78 2kbi h PHE 1857Ca 0.37 -0.21 -0.21 0.00 2.81 0.00 0.00 57.97 60.73 2kbi h PHE 1857Cb 0.03 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 2kbi h PHE 1857CO -0.01 0.92 -1.04 1.79 -1.61 0.00 0.00 178.31 178.36 2kbi h THR 1858N 0.34 1.50 -0.60 -1.55 1.35 -0.73 -3.37 112.91 109.84 2kbi h THR 1858Ca -0.00 -3.18 0.10 0.00 -0.55 0.00 0.00 66.41 62.78 2kbi h THR 1858Cb 1.11 2.74 -0.08 0.00 -1.73 0.00 0.00 68.15 70.19 2kbi h THR 1858CO 0.10 0.85 0.20 0.11 -0.25 0.00 0.00 175.52 176.53 2kbi h LYS 1859N 0.00 0.35 0.00 4.72 1.57 -1.52 -0.16 116.57 121.53 2kbi h LYS 1859Ca -0.05 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2kbi h LYS 1859Cb 1.75 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.98 2kbi h LYS 1859CO 0.12 0.23 -0.11 0.07 -0.57 0.00 0.00 179.45 179.19 2kbi h ARG 1860N 0.36 0.00 0.19 3.15 0.11 -1.77 0.08 114.38 116.50 2kbi h ARG 1860Ca 0.31 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.12 2kbi h ARG 1860Cb 0.40 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.51 2kbi h ARG 1860CO -0.33 0.11 -1.20 0.28 0.10 0.00 0.00 179.97 178.93 2kbi h VAL 1861N 0.00 1.33 0.00 0.08 2.07 -1.39 -3.34 116.25 115.00 2kbi h VAL 1861Ca -0.00 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.93 2kbi h VAL 1861Cb 0.33 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2kbi h VAL 1861CO 0.01 0.76 0.00 -0.07 0.02 0.00 0.00 177.57 178.30 2kbi h LEU 1862N -0.13 0.00 0.00 2.57 3.38 -0.85 -3.48 115.31 116.80 2kbi h LEU 1862Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2kbi h LEU 1862Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2kbi h LEU 1862CO 0.19 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2kbi n GLY 1863N 0.45 0.64 0.59 0.83 0.00 -0.40 -4.97 105.19 102.32 2kbi n GLY 1863Ca 0.03 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.68 1.57 0.00 1.61 1.02 -0.12 -5.00 120.64 117.04 2kbi n GLU 1864Ca 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.96 2kbi n GLU 1864Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2kbi n GLU 1864CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18