#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wat n GLY 1767N 0.00 0.05 3.59 7.41 0.00 -1.26 -4.99 105.19 109.99 2wat n GLY 1767Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 2wat n GLY 1767CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wat s GLY 1768N -1.95 -0.23 0.05 -0.02 0.00 -1.05 -4.93 107.32 99.19 2wat s GLY 1768Ca 0.00 2.15 0.04 0.00 0.00 0.00 0.00 44.72 46.91 2wat s GLY 1768CO 0.00 1.15 -0.11 0.54 0.00 0.00 0.00 173.10 174.68 2wat s VAL 1769N -0.92 0.82 -0.03 1.40 0.11 -1.26 -1.00 120.40 119.53 2wat s VAL 1769Ca -0.01 -1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 57.86 2wat s VAL 1769Cb -0.01 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 2wat s VAL 1769CO 0.00 -0.27 0.10 -0.83 -3.33 0.00 0.00 175.10 170.77 2wat s GLY 1770N -1.58 -0.04 0.01 6.54 0.00 0.34 -3.66 107.32 108.93 2wat s GLY 1770Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.85 2wat s GLY 1770CO 0.01 0.13 -0.03 0.54 0.00 0.00 0.00 173.10 173.74 2wat s VAL 1771N -0.22 0.24 -0.08 1.40 0.11 -1.26 -0.38 120.40 120.21 2wat s VAL 1771Ca -0.03 -0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 58.55 2wat s VAL 1771Cb -0.02 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.59 2wat s VAL 1771CO 0.00 -0.11 0.21 -0.62 -3.33 0.00 0.00 175.10 171.26 2wat s ASP 1772N -0.54 -0.22 -0.05 3.54 2.15 -0.68 -4.65 116.67 116.22 2wat s ASP 1772Ca -0.04 0.44 0.06 0.00 0.43 0.00 0.00 52.55 53.44 2wat s ASP 1772Cb -0.04 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 42.99 2wat s ASP 1772CO -0.00 -0.09 -0.22 0.54 -0.17 0.00 0.00 175.17 175.23 2wat s VAL 1773N 0.35 1.81 0.01 1.11 0.11 -1.26 -1.42 120.40 121.10 2wat s VAL 1773Ca -0.02 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.12 2wat s VAL 1773Cb -0.03 -1.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2wat s VAL 1773CO -0.01 0.51 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.58 2wat s GLU 1774N -0.15 0.58 0.32 1.54 0.41 0.33 -5.00 118.70 116.74 2wat s GLU 1774Ca -0.02 -0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 53.85 2wat s GLU 1774Cb -0.12 -0.52 -0.10 0.00 -1.78 0.00 0.00 34.13 31.60 2wat s GLU 1774CO 0.03 0.13 1.30 -0.51 -0.49 0.00 0.00 175.26 175.72 2wat s LEU 1775N -0.55 4.43 0.31 1.80 1.02 -1.26 -0.54 118.68 123.89 2wat s LEU 1775Ca -0.00 2.66 0.01 0.00 0.02 0.00 0.00 54.13 56.83 2wat s LEU 1775Cb -0.05 -3.65 0.56 0.00 0.02 0.00 0.00 46.19 43.08 2wat s LEU 1775CO 0.00 -0.53 1.93 0.40 0.02 0.00 0.00 176.35 178.18 2wat h ILE 1776N 3.08 1.08 0.00 -0.59 1.08 -1.90 -1.51 117.51 118.75 2wat h ILE 1776Ca -0.49 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2wat h ILE 1776Cb 1.22 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2wat h ILE 1776CO 0.66 0.18 0.00 0.35 -0.69 0.00 0.00 178.15 178.65 2wat n THR 1777N -4.47 0.02 0.24 -0.27 -2.24 -1.26 -2.83 114.28 103.46 2wat n THR 1777Ca 0.12 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 2wat n THR 1777Cb 0.18 -0.65 0.42 0.00 -2.10 0.00 0.00 70.33 68.18 2wat n THR 1777CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wat h SER 1778N 0.00 0.00 -3.82 3.42 4.64 -1.65 -3.41 113.55 112.73 2wat h SER 1778Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2wat h SER 1778Cb 0.01 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.94 2wat h SER 1778CO 0.00 0.04 -0.39 -0.63 -0.87 0.00 0.00 176.83 174.98 2wat s ILE 1779N -3.44 5.25 -0.52 0.95 -1.09 -1.13 -5.04 121.20 116.18 2wat s ILE 1779Ca 0.04 0.35 -0.17 0.00 -2.23 0.00 0.00 60.65 58.63 2wat s ILE 1779Cb 0.07 -3.61 0.09 0.00 -1.58 0.00 0.00 42.46 37.43 2wat s ILE 1779CO 0.61 0.21 0.52 0.21 -1.23 0.00 0.00 174.94 175.26 2wat s ASN 1780N 1.71 6.18 0.62 3.58 3.84 -1.26 -4.93 114.94 124.67 2wat s ASN 1780Ca 0.11 -1.37 0.36 0.00 0.21 0.00 0.00 52.86 52.17 2wat s ASN 1780Cb -0.16 -2.23 2.06 0.00 -0.55 0.00 0.00 41.25 40.36 2wat s ASN 1780CO 0.11 -0.83 2.29 0.58 -2.79 0.00 0.00 177.10 176.46 2wat h VAL 1781N 5.84 0.30 0.00 -5.21 2.07 -1.96 -0.75 116.25 116.54 2wat h VAL 1781Ca -0.29 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 2wat h VAL 1781Cb 1.10 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2wat h VAL 1781CO 0.98 0.01 -0.54 -0.33 0.02 0.00 0.00 177.57 177.70 2wat h GLU 1782N 0.00 0.00 -5.14 1.57 3.07 -2.05 -3.40 114.58 108.64 2wat h GLU 1782Ca -0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 2wat h GLU 1782Cb 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2wat h GLU 1782CO 0.00 0.54 1.63 -1.71 -1.40 0.00 0.00 179.01 178.07 2wat n ASN 1783N -3.66 3.08 -0.13 1.42 2.85 -0.29 -4.72 115.26 113.80 2wat n ASN 1783Ca -0.01 -2.72 0.12 0.00 -0.11 0.00 0.00 54.58 51.87 2wat n ASN 1783Cb 0.59 -1.53 0.47 0.00 1.24 0.00 0.00 39.78 40.54 2wat n ASN 1783CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2wat h ASP 1784N 8.82 0.45 -0.09 1.20 3.32 -1.85 -1.67 116.42 126.60 2wat h ASP 1784Ca 0.32 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2wat h ASP 1784Cb 0.84 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 2wat h ASP 1784CO 1.51 0.26 0.02 0.74 -1.72 0.00 0.00 179.24 180.05 2wat h THR 1785N 0.49 1.19 -0.18 0.35 2.02 -1.98 0.69 112.91 115.49 2wat h THR 1785Ca 0.32 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2wat h THR 1785Cb 0.59 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2wat h THR 1785CO -0.10 0.16 0.10 0.15 0.37 0.00 0.00 175.52 176.20 2wat h PHE 1786N -0.06 0.25 -0.25 3.16 3.57 -1.81 -1.96 116.94 119.85 2wat h PHE 1786Ca 0.03 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2wat h PHE 1786Cb 0.23 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2wat h PHE 1786CO 0.00 0.24 0.11 0.82 -2.23 0.00 0.00 178.31 177.25 2wat h ILE 1787N 0.19 0.98 -0.49 1.41 1.08 -1.22 -1.73 117.51 117.72 2wat h ILE 1787Ca 0.06 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2wat h ILE 1787Cb 0.07 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2wat h ILE 1787CO -0.01 0.04 0.32 -0.08 -0.69 0.00 0.00 178.15 177.73 2wat h GLU 1788N 0.24 0.65 0.00 2.37 4.57 -0.80 -0.79 114.58 120.82 2wat h GLU 1788Ca 0.10 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 2wat h GLU 1788Cb 0.04 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2wat h GLU 1788CO -0.08 0.44 -0.65 -0.09 -1.18 0.00 0.00 179.01 177.45 2wat h ARG 1789N 0.67 0.00 0.00 1.92 2.43 -0.63 -3.38 114.38 115.40 2wat h ARG 1789Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2wat h ARG 1789Cb -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2wat h ARG 1789CO -0.04 0.65 -0.32 0.09 -1.51 0.00 0.00 179.97 178.84 2wat n ASN 1790N -3.40 0.91 -4.18 -3.80 3.02 -0.72 -4.14 115.26 102.95 2wat n ASN 1790Ca 0.01 -0.46 -0.26 0.00 -0.03 0.00 0.00 54.58 53.83 2wat n ASN 1790Cb 0.74 1.03 -0.15 0.00 -0.61 0.00 0.00 39.78 40.78 2wat n ASN 1790CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2wat s PHE 1791N -1.45 1.66 0.71 3.10 0.08 -0.34 -3.17 117.98 118.58 2wat s PHE 1791Ca 0.01 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 2wat s PHE 1791Cb 0.02 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.42 2wat s PHE 1791CO 0.12 -0.03 1.07 0.95 -0.10 0.00 0.00 175.22 177.23 2wat s THR 1792N -0.42 3.74 0.28 0.64 -4.23 -1.26 -4.68 115.64 109.71 2wat s THR 1792Ca 0.07 0.60 0.02 0.00 -1.18 0.00 0.00 61.69 61.19 2wat s THR 1792Cb -0.07 -3.22 0.28 0.00 1.34 0.00 0.00 72.50 70.82 2wat s THR 1792CO -0.01 -0.71 1.82 -0.65 -0.54 0.00 0.00 174.62 174.53 2wat h PRO 1793N -0.72 0.88 -0.37 3.99 0.11 -1.96 0.29 132.00 134.21 2wat h PRO 1793Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 2wat h PRO 1793Cb 1.22 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2wat h PRO 1793CO 0.55 0.58 -0.03 1.96 -0.21 0.00 0.00 178.00 180.85 2wat h GLN 1794N 0.91 0.60 -0.35 1.05 4.20 -1.99 -0.24 115.11 119.29 2wat h GLN 1794Ca 0.51 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.99 2wat h GLN 1794Cb 0.58 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2wat h GLN 1794CO -0.30 0.65 -0.10 0.93 -0.67 0.00 0.00 178.83 179.34 2wat h GLU 1795N 0.57 0.69 -0.55 1.46 5.08 -1.35 -1.61 114.58 118.86 2wat h GLU 1795Ca 0.11 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2wat h GLU 1795Cb 0.41 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2wat h GLU 1795CO 0.02 0.86 0.03 0.82 -1.00 0.00 0.00 179.01 179.74 2wat h ILE 1796N 0.47 1.25 -0.35 3.13 2.04 -0.85 -0.90 117.51 122.30 2wat h ILE 1796Ca 0.09 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 2wat h ILE 1796Cb 0.61 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2wat h ILE 1796CO 0.04 0.37 -0.06 -0.08 0.00 0.00 0.00 178.15 178.42 2wat h GLU 1797N 0.86 0.66 0.60 2.37 4.81 -0.95 -1.00 114.58 121.93 2wat h GLU 1797Ca 0.17 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2wat h GLU 1797Cb 0.46 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2wat h GLU 1797CO 0.02 0.81 -0.29 -0.92 -0.73 0.00 0.00 179.01 177.90 2wat h TYR 1798N 0.45 -0.75 -0.97 0.92 3.20 -1.05 -2.95 116.97 115.83 2wat h TYR 1798Ca 0.09 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.99 2wat h TYR 1798Cb 0.55 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 2wat h TYR 1798CO 0.05 -0.43 0.63 0.00 -1.64 0.00 0.00 178.16 176.77 2wat h SER 1800N 1.20 0.00 -0.02 0.00 0.02 -1.16 -2.59 113.55 111.00 2wat h SER 1800Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2wat h SER 1800Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2wat h SER 1800CO -0.14 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.46 2wat n ALA 1801N -1.90 2.67 -2.05 3.77 0.00 -0.39 -4.93 120.51 117.68 2wat n ALA 1801Ca -0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 2wat n ALA 1801Cb 0.13 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.85 2wat n ALA 1801CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wat s GLN 1802N -1.94 3.51 0.19 0.00 -1.52 -0.98 -4.99 119.66 113.95 2wat s GLN 1802Ca 0.24 0.48 -0.12 0.00 -1.95 0.00 0.00 55.36 54.01 2wat s GLN 1802Cb 0.18 -2.21 0.19 0.00 -0.22 0.00 0.00 33.01 30.95 2wat s GLN 1802CO 0.33 -0.44 1.77 -1.35 -0.25 0.00 0.00 175.29 175.35 2wat h PRO 1803N -0.10 0.46 -4.59 2.91 0.11 -1.94 -3.32 132.00 125.53 2wat h PRO 1803Ca -0.45 -0.03 -0.69 0.00 0.11 0.00 0.00 66.00 64.94 2wat h PRO 1803Cb 1.20 -0.10 -0.35 0.00 0.11 0.00 0.00 31.00 31.86 2wat h PRO 1803CO 0.62 0.31 -0.61 0.45 -0.21 0.00 0.00 178.00 178.55 2wat s SER 1804N -5.47 5.10 0.10 -2.05 0.15 -1.26 -4.99 113.70 105.28 2wat s SER 1804Ca -0.13 -1.83 -0.17 0.00 0.70 0.00 0.00 55.95 54.52 2wat s SER 1804Cb 0.15 -1.77 -0.06 0.00 -1.71 0.00 0.00 66.02 62.62 2wat s SER 1804CO 0.74 -0.44 1.54 0.58 1.20 0.00 0.00 173.24 176.85 2wat h VAL 1805N 6.42 1.26 -0.57 4.45 2.07 -1.78 -1.80 116.25 126.29 2wat h VAL 1805Ca -0.14 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2wat h VAL 1805Cb 1.05 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2wat h VAL 1805CO 0.63 0.31 0.29 -0.61 0.02 0.00 0.00 177.57 178.20 2wat h GLN 1806N 0.34 0.82 -0.75 1.57 4.15 -1.94 -1.62 115.11 117.68 2wat h GLN 1806Ca 0.09 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2wat h GLN 1806Cb 0.45 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 2wat h GLN 1806CO 0.02 0.66 0.31 1.03 -1.93 0.00 0.00 178.83 178.92 2wat h SER 1807N 0.78 1.02 -0.29 -0.69 0.87 -1.83 -1.36 113.55 112.04 2wat h SER 1807Ca 0.20 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2wat h SER 1807Cb 0.10 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2wat h SER 1807CO -0.03 0.90 0.09 -1.28 -0.53 0.00 0.00 176.83 175.98 2wat h SER 1808N 1.07 0.43 -0.63 6.23 0.87 -0.96 -0.75 113.55 119.80 2wat h SER 1808Ca 0.25 -0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2wat h SER 1808Cb 0.19 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2wat h SER 1808CO -0.02 0.52 0.39 -0.26 -0.53 0.00 0.00 176.83 176.93 2wat h PHE 1809N 0.31 0.74 -0.90 2.24 0.04 -1.19 -1.28 116.94 116.90 2wat h PHE 1809Ca 0.09 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.89 2wat h PHE 1809Cb 0.24 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2wat h PHE 1809CO 0.01 0.43 0.60 0.00 -0.60 0.00 0.00 178.31 178.74 2wat h ALA 1810N 1.26 1.14 -0.53 2.45 0.00 -0.97 0.13 119.26 122.75 2wat h ALA 1810Ca 0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2wat h ALA 1810Cb -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2wat h ALA 1810CO -0.09 0.54 -0.01 0.78 0.00 0.00 0.00 179.25 180.47 2wat h GLY 1811N 1.22 1.01 1.04 0.00 0.00 -0.82 -0.84 103.07 104.68 2wat h GLY 1811Ca 0.33 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2wat h GLY 1811CO -0.07 0.69 0.14 -0.84 0.00 0.00 0.00 176.54 176.46 2wat h THR 1812N 0.81 1.26 -0.40 4.70 2.02 -0.82 -1.11 112.91 119.36 2wat h THR 1812Ca 0.15 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2wat h THR 1812Cb 0.54 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2wat h THR 1812CO 0.03 0.36 0.25 -0.25 0.37 0.00 0.00 175.52 176.27 2wat h TRP 1813N 0.93 0.53 -0.89 3.16 2.91 -0.55 -1.12 115.95 120.92 2wat h TRP 1813Ca 0.20 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.24 2wat h TRP 1813Cb 0.38 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 28.80 2wat h TRP 1813CO 0.03 0.37 0.58 0.77 -1.03 0.00 0.00 178.44 179.16 2wat h SER 1814N 0.54 0.98 -0.54 2.65 0.02 -0.94 -1.83 113.55 114.43 2wat h SER 1814Ca 0.15 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2wat h SER 1814Cb -0.01 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2wat h SER 1814CO -0.03 0.69 0.23 0.00 -1.14 0.00 0.00 176.83 176.58 2wat h ALA 1815N 1.35 0.70 -0.52 3.77 0.00 -0.77 0.82 119.26 124.61 2wat h ALA 1815Ca 0.35 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2wat h ALA 1815Cb -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2wat h ALA 1815CO -0.10 0.29 0.29 0.87 0.00 0.00 0.00 179.25 180.60 2wat h LYS 1816N 0.73 0.56 -0.44 0.00 1.57 -0.77 0.32 116.57 118.55 2wat h LYS 1816Ca 0.18 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2wat h LYS 1816Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2wat h LYS 1816CO -0.02 0.37 -0.03 0.93 -0.57 0.00 0.00 179.45 180.13 2wat h GLU 1817N 0.58 0.80 -0.21 3.15 4.39 -1.03 -1.27 114.58 120.98 2wat h GLU 1817Ca 0.22 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2wat h GLU 1817Cb 0.07 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2wat h GLU 1817CO -0.12 0.88 0.12 0.00 -1.16 0.00 0.00 179.01 178.74 2wat h ALA 1818N 0.89 0.27 -0.58 3.43 0.00 -0.56 -1.56 119.26 121.15 2wat h ALA 1818Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wat h ALA 1818Cb 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2wat h ALA 1818CO 0.03 -0.21 0.33 0.28 0.00 0.00 0.00 179.25 179.68 2wat h VAL 1819N 0.25 1.01 -0.52 0.00 2.07 -0.83 -2.25 116.25 115.98 2wat h VAL 1819Ca 0.08 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.41 2wat h VAL 1819Cb 0.05 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 2wat h VAL 1819CO -0.01 0.12 0.29 0.15 0.02 0.00 0.00 177.57 178.14 2wat h PHE 1820N 0.64 0.54 0.00 1.57 3.57 -0.86 -2.08 116.94 120.32 2wat h PHE 1820Ca 0.25 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2wat h PHE 1820Cb 0.09 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 2wat h PHE 1820CO -0.08 0.29 -0.11 0.87 -2.23 0.00 0.00 178.31 177.05 2wat h LYS 1821N 0.58 0.00 0.00 1.11 1.57 -0.84 -2.31 116.57 116.67 2wat h LYS 1821Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2wat h LYS 1821Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2wat h LYS 1821CO -0.12 0.11 -0.10 -1.13 -0.57 0.00 0.00 179.45 177.64 2wat n SER 1822N -3.76 0.82 0.14 0.86 3.41 -0.80 -3.72 113.62 110.59 2wat n SER 1822Ca -0.02 0.51 0.01 0.00 -0.26 0.00 0.00 58.87 59.11 2wat n SER 1822Cb 0.22 -0.65 0.15 0.00 -0.26 0.00 0.00 64.21 63.67 2wat n SER 1822CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wat h LEU 1823N 0.00 0.00 -1.77 1.04 3.38 -1.26 -3.36 115.31 113.33 2wat h LEU 1823Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2wat h LEU 1823Cb 0.75 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.57 2wat h LEU 1823CO 0.00 0.57 -0.35 0.61 0.09 0.00 0.00 178.44 179.36 2wat n GLY 1824N 0.64 0.09 3.30 0.83 0.00 -1.24 -4.94 105.19 103.87 2wat n GLY 1824Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 2wat n GLY 1824CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wat s VAL 1825N -3.16 1.67 0.14 1.61 -7.23 -1.26 -5.02 120.40 107.14 2wat s VAL 1825Ca 0.02 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2wat s VAL 1825Cb -0.01 -1.72 -0.19 0.00 0.56 0.00 0.00 36.38 35.03 2wat s VAL 1825CO 0.33 -0.31 1.32 0.50 -0.31 0.00 0.00 175.10 176.64 2wat h LYS 1826N 3.43 0.03 -2.25 4.82 3.64 -1.97 -3.48 116.57 120.79 2wat h LYS 1826Ca -0.42 -0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.11 2wat h LYS 1826Cb 1.20 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 2wat h LYS 1826CO 0.49 0.96 0.54 -1.54 -2.27 0.00 0.00 179.45 177.63 2wat s SER 1827N -6.77 -0.14 0.39 4.20 1.04 -1.26 -5.06 113.70 106.10 2wat s SER 1827Ca 0.00 -0.41 0.21 0.00 0.48 0.00 0.00 55.95 56.23 2wat s SER 1827Cb 0.10 0.45 0.30 0.00 0.10 0.00 0.00 66.02 66.97 2wat s SER 1827CO 0.82 -0.84 1.57 -0.07 0.98 0.00 0.00 173.24 175.70 2wat h LEU 1828N 2.00 0.00 0.00 2.42 3.38 -1.92 -3.48 115.31 117.71 2wat h LEU 1828Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2wat h LEU 1828Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wat h LEU 1828CO 0.27 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2wat n GLY 1829N 1.08 0.84 1.79 0.83 0.00 -1.26 -4.65 105.19 103.82 2wat n GLY 1829Ca 0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wat n GLY 1829CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wat n GLY 1830N 0.00 -3.62 0.00 -0.02 0.00 -1.26 -5.01 105.19 95.28 2wat n GLY 1830Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2wat n GLY 1830CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wat n GLY 1831N 0.40 1.72 0.07 -0.02 0.00 -1.26 -4.96 105.19 101.14 2wat n GLY 1831Ca 0.00 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.45 2wat n GLY 1831CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wat n ALA 1832N -3.00 2.95 -1.75 4.61 0.00 -1.26 -4.74 120.51 117.33 2wat n ALA 1832Ca 0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.79 2wat n ALA 1832Cb 0.00 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.23 2wat n ALA 1832CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wat n ALA 1833N -1.21 1.55 -1.15 0.00 0.00 -1.26 -4.94 120.51 113.50 2wat n ALA 1833Ca 0.10 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.72 2wat n ALA 1833Cb 0.32 -2.36 0.18 0.00 0.00 0.00 0.00 19.45 17.59 2wat n ALA 1833CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wat n LEU 1834N -1.21 2.88 0.25 0.00 4.77 -1.26 -4.64 117.00 117.78 2wat n LEU 1834Ca 0.11 -3.23 0.09 0.00 -0.03 0.00 0.00 56.01 52.96 2wat n LEU 1834Cb 0.45 -0.48 0.66 0.00 -2.33 0.00 0.00 43.42 41.72 2wat n LEU 1834CO 0.52 0.83 1.00 0.50 -1.33 0.00 0.00 177.39 178.91 2wat h LYS 1835N 0.61 0.00 0.00 3.23 3.64 -1.70 -2.51 116.57 119.84 2wat h LYS 1835Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wat h LYS 1835Cb 1.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2wat h LYS 1835CO 0.08 0.09 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.90 2wat h ASP 1836N 0.00 0.00 -3.29 4.20 3.32 -1.85 -3.38 116.42 115.42 2wat h ASP 1836Ca -0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 2wat h ASP 1836Cb 0.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.50 2wat h ASP 1836CO 0.01 0.01 -0.34 -0.63 -1.72 0.00 0.00 179.24 176.58 2wat s ILE 1837N -3.82 5.00 -0.18 0.35 1.01 -0.95 0.35 121.20 122.96 2wat s ILE 1837Ca -0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 60.65 59.34 2wat s ILE 1837Cb 0.10 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2wat s ILE 1837CO 0.51 -0.63 0.04 -0.70 0.00 0.00 0.00 174.94 174.17 2wat s GLU 1838N 1.58 3.91 -0.32 2.79 2.12 0.67 -4.87 118.70 124.58 2wat s GLU 1838Ca 0.04 -0.38 -0.17 0.00 0.36 0.00 0.00 54.97 54.81 2wat s GLU 1838Cb -0.25 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 2wat s GLU 1838CO 0.05 0.26 0.48 0.42 -0.54 0.00 0.00 175.26 175.93 2wat s ILE 1839N 0.38 5.06 -0.06 -3.70 -1.09 -1.26 -0.31 121.20 120.22 2wat s ILE 1839Ca 0.02 0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 58.92 2wat s ILE 1839Cb -0.13 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2wat s ILE 1839CO 0.01 -0.08 -0.02 0.68 -1.23 0.00 0.00 174.94 174.30 2wat s VAL 1840N 2.30 4.11 -0.01 2.92 -7.23 0.61 -4.78 120.40 118.32 2wat s VAL 1840Ca 0.18 -0.39 0.07 0.00 -1.81 0.00 0.00 61.98 60.04 2wat s VAL 1840Cb -0.16 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2wat s VAL 1840CO 0.12 0.55 -0.24 -0.13 -0.31 0.00 0.00 175.10 175.09 2wat s ARG 1841N -1.01 1.91 -0.39 4.82 1.81 -1.26 0.01 118.95 124.83 2wat s ARG 1841Ca 0.14 -0.86 0.02 0.00 -1.72 0.00 0.00 55.73 53.31 2wat s ARG 1841Cb -0.11 -1.86 0.12 0.00 -0.45 0.00 0.00 34.95 32.65 2wat s ARG 1841CO 0.04 0.51 0.18 0.08 -0.68 0.00 0.00 175.30 175.42 2wat s VAL 1842N -0.57 1.40 0.00 3.52 1.01 -1.26 -5.04 120.40 119.46 2wat s VAL 1842Ca 0.09 -2.22 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2wat s VAL 1842Cb -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2wat s VAL 1842CO -0.01 -0.79 0.00 -3.20 0.00 0.00 0.00 175.10 171.10 2wat n ASN 1843N 4.00 0.00 0.00 3.32 5.15 -1.26 -0.16 115.26 126.30 2wat n ASN 1843Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2wat n ASN 1843Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 2wat n ASN 1843CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2wat n LYS 1844N 0.00 0.00 -4.35 1.20 4.76 -1.26 -4.93 118.16 113.59 2wat n LYS 1844Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2wat n LYS 1844Cb 0.00 -3.39 -0.06 0.00 -1.84 0.00 0.00 35.03 29.74 2wat n LYS 1844CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2wat s ASN 1845N -2.57 4.32 0.58 4.39 0.01 0.77 -5.13 114.94 117.31 2wat s ASN 1845Ca 0.00 -1.37 -0.19 0.00 -0.71 0.00 0.00 52.86 50.59 2wat s ASN 1845Cb 0.00 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 2wat s ASN 1845CO 0.00 -0.81 1.17 0.00 -1.51 0.00 0.00 177.10 175.94 2wat s ALA 1846N -2.76 2.58 0.63 0.60 0.00 -1.26 -4.53 121.76 117.02 2wat s ALA 1846Ca 0.25 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 2wat s ALA 1846Cb 0.02 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2wat s ALA 1846CO 0.14 -1.04 1.07 -1.25 0.00 0.00 0.00 175.76 174.69 2wat s PRO 1847N -3.41 3.08 0.16 0.00 0.05 -1.26 -4.24 135.00 129.38 2wat s PRO 1847Ca 0.74 1.23 0.03 0.00 0.05 0.00 0.00 61.00 63.04 2wat s PRO 1847Cb -0.27 -2.00 -0.05 0.00 0.05 0.00 0.00 34.50 32.24 2wat s PRO 1847CO 0.32 -1.00 -0.03 0.00 0.05 0.00 0.00 177.00 176.33 2wat s ALA 1848N -2.51 1.38 -0.11 8.56 0.00 0.10 -4.58 121.76 124.60 2wat s ALA 1848Ca 0.64 -1.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 2wat s ALA 1848Cb -0.17 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2wat s ALA 1848CO 0.41 -0.25 -0.09 0.08 0.00 0.00 0.00 175.76 175.90 2wat s VAL 1849N -3.56 3.45 -0.11 0.00 1.01 -1.26 -0.28 120.40 119.65 2wat s VAL 1849Ca 0.21 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2wat s VAL 1849Cb 0.05 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2wat s VAL 1849CO 0.03 0.55 -0.10 -1.61 0.00 0.00 0.00 175.10 173.96 2wat s GLU 1850N -0.13 1.75 -0.05 2.72 2.02 0.57 -4.91 118.70 120.67 2wat s GLU 1850Ca 0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 54.97 54.52 2wat s GLU 1850Cb -0.13 -1.69 -0.05 0.00 0.10 0.00 0.00 34.13 32.36 2wat s GLU 1850CO 0.03 -0.21 0.31 -0.51 0.02 0.00 0.00 175.26 174.90 2wat s LEU 1851N 1.48 4.43 0.33 1.80 1.43 -1.26 -0.24 118.68 126.65 2wat s LEU 1851Ca 0.02 0.76 0.03 0.00 -1.03 0.00 0.00 54.13 53.91 2wat s LEU 1851Cb -0.13 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.64 2wat s LEU 1851CO -0.07 0.34 0.09 -1.00 0.23 0.00 0.00 176.35 175.94 2wat s HIS 1852N -0.95 1.82 0.00 0.29 3.76 0.16 -4.61 115.29 115.75 2wat s HIS 1852Ca 0.20 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 2wat s HIS 1852Cb -0.15 -1.16 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2wat s HIS 1852CO 0.09 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.24 2wat n GLY 1853N -0.69 2.91 0.28 -2.22 0.00 -1.26 -1.76 105.19 102.45 2wat n GLY 1853Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2wat n GLY 1853CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wat h ASN 1854N 0.00 0.64 -0.57 1.61 2.35 -1.93 -2.34 115.58 115.33 2wat h ASN 1854Ca 0.00 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2wat h ASN 1854Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2wat h ASN 1854CO 0.00 0.70 0.35 0.00 -1.65 0.00 0.00 177.43 176.83 2wat h ALA 1855N 1.38 0.73 -0.16 -0.83 0.00 -1.64 0.80 119.26 119.53 2wat h ALA 1855Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wat h ALA 1855Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wat h ALA 1855CO 0.01 0.21 0.05 -0.22 0.00 0.00 0.00 179.25 179.30 2wat h LYS 1856N 0.77 0.24 0.19 0.00 3.64 -1.07 -0.37 116.57 119.97 2wat h LYS 1856Ca 0.21 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2wat h LYS 1856Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2wat h LYS 1856CO -0.04 0.37 -0.21 0.87 -2.27 0.00 0.00 179.45 178.17 2wat h LYS 1857N 0.07 -0.42 -0.97 1.90 1.57 -1.23 -0.09 116.57 117.40 2wat h LYS 1857Ca 0.05 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2wat h LYS 1857Cb 0.22 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2wat h LYS 1857CO -0.00 -0.28 0.63 0.00 -0.57 0.00 0.00 179.45 179.23 2wat h ALA 1858N 0.31 1.29 0.11 3.86 0.00 -0.78 0.13 119.26 124.18 2wat h ALA 1858Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2wat h ALA 1858Cb 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wat h ALA 1858CO -0.06 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.65 2wat h ALA 1859N 1.40 -0.14 -0.91 0.00 0.00 -0.85 -1.74 119.26 117.03 2wat h ALA 1859Ca 0.39 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2wat h ALA 1859Cb 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2wat h ALA 1859CO -0.13 -0.49 0.60 0.93 0.00 0.00 0.00 179.25 180.16 2wat h GLU 1860N -0.32 1.15 0.00 0.00 5.08 -0.63 -0.22 114.58 119.65 2wat h GLU 1860Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2wat h GLU 1860Cb 0.26 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wat h GLU 1860CO 0.02 0.76 -0.06 1.49 -1.00 0.00 0.00 179.01 180.23 2wat h GLU 1861N 1.19 0.00 -0.02 2.33 4.81 -0.63 -0.81 114.58 121.45 2wat h GLU 1861Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2wat h GLU 1861Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2wat h GLU 1861CO -0.10 0.06 -0.09 0.00 -0.73 0.00 0.00 179.01 178.15 2wat n ALA 1862N -2.35 2.73 -1.00 2.92 0.00 -0.20 -4.95 120.51 117.66 2wat n ALA 1862Ca -0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 53.44 52.90 2wat n ALA 1862Cb 0.15 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 2wat n ALA 1862CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wat n GLY 1863N 1.27 0.49 3.69 0.00 0.00 -0.31 -5.01 105.19 105.32 2wat n GLY 1863Ca 0.16 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2wat n GLY 1863CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wat s VAL 1864N -2.00 3.42 -0.18 1.61 1.01 -0.57 -4.21 120.40 119.49 2wat s VAL 1864Ca 0.00 0.83 0.15 0.00 0.00 0.00 0.00 61.98 62.96 2wat s VAL 1864Cb 0.00 -3.53 -0.22 0.00 0.00 0.00 0.00 36.38 32.63 2wat s VAL 1864CO 0.00 -0.01 0.40 0.35 0.00 0.00 0.00 175.10 175.84 2wat n THR 1865N 4.72 0.00 -3.55 3.92 -2.24 0.37 -4.45 114.28 113.04 2wat n THR 1865Ca 0.14 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 2wat n THR 1865Cb 0.42 0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 2wat n THR 1865CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wat s ASP 1866N -3.41 -0.54 -0.04 3.42 2.15 -1.16 -4.97 116.67 112.11 2wat s ASP 1866Ca -0.03 0.63 0.01 0.00 0.43 0.00 0.00 52.55 53.59 2wat s ASP 1866Cb 0.10 0.49 0.02 0.00 -0.30 0.00 0.00 42.92 43.24 2wat s ASP 1866CO 0.62 -0.48 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.42 2wat s VAL 1867N -1.06 0.42 0.07 1.11 1.01 -1.26 -0.61 120.40 120.08 2wat s VAL 1867Ca -0.07 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2wat s VAL 1867Cb -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2wat s VAL 1867CO 0.06 0.20 -0.00 -0.54 0.00 0.00 0.00 175.10 174.82 2wat s LYS 1868N 0.96 2.58 0.02 2.72 -0.14 -0.01 -4.31 119.74 121.56 2wat s LYS 1868Ca -0.11 -0.80 -0.03 0.00 -1.36 0.00 0.00 55.97 53.68 2wat s LYS 1868Cb -0.14 -2.56 -0.02 0.00 -1.68 0.00 0.00 37.83 33.43 2wat s LYS 1868CO -0.00 0.55 0.03 0.54 -0.76 0.00 0.00 175.35 175.71 2wat s VAL 1869N -1.27 0.12 0.03 3.17 0.11 -1.26 -1.09 120.40 120.21 2wat s VAL 1869Ca 0.25 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.30 2wat s VAL 1869Cb -0.12 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2wat s VAL 1869CO 0.17 -0.56 -0.06 -0.55 -3.33 0.00 0.00 175.10 170.77 2wat s SER 1870N -1.76 0.64 0.04 3.54 0.15 -0.22 -4.60 113.70 111.50 2wat s SER 1870Ca -0.11 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.18 2wat s SER 1870Cb -0.06 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2wat s SER 1870CO -0.02 -0.16 -0.17 -0.63 1.20 0.00 0.00 173.24 173.46 2wat s ILE 1871N -1.06 1.35 -0.02 6.45 1.01 -1.26 -1.62 121.20 126.05 2wat s ILE 1871Ca -0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 2wat s ILE 1871Cb -0.08 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.22 2wat s ILE 1871CO 0.00 0.09 0.27 -0.55 0.00 0.00 0.00 174.94 174.75 2wat s SER 1872N -1.16 -0.15 0.07 3.58 0.15 -0.33 -5.01 113.70 110.85 2wat s SER 1872Ca 0.04 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.81 2wat s SER 1872Cb -0.08 0.32 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2wat s SER 1872CO 0.01 -0.39 -0.11 -1.00 1.20 0.00 0.00 173.24 172.96 2wat s HIS 1873N -1.15 1.00 0.23 3.44 0.09 -1.26 -0.97 115.29 116.66 2wat s HIS 1873Ca -0.12 -0.55 0.04 0.00 -0.00 0.00 0.00 55.06 54.43 2wat s HIS 1873Cb -0.05 -0.56 -0.01 0.00 -0.00 0.00 0.00 32.58 31.95 2wat s HIS 1873CO 0.03 -0.01 0.14 -0.40 -0.00 0.00 0.00 174.74 174.51 2wat n ASP 1874N 1.05 0.20 -0.36 1.40 5.68 -0.43 -5.00 116.55 119.09 2wat n ASP 1874Ca -0.20 -2.41 0.31 0.00 -0.50 0.00 0.00 54.79 52.00 2wat n ASP 1874Cb 0.56 0.90 0.63 0.00 -1.14 0.00 0.00 41.12 42.07 2wat n ASP 1874CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wat h ASP 1875N 1.20 0.23 0.05 -1.12 3.32 -2.04 -2.94 116.42 115.12 2wat h ASP 1875Ca -0.17 0.06 -0.26 0.00 0.02 0.00 0.00 57.03 56.68 2wat h ASP 1875Cb 0.78 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.31 2wat h ASP 1875CO 0.26 0.00 -2.21 0.18 -1.72 0.00 0.00 179.24 175.75 2wat n LEU 1876N -4.45 0.07 -3.72 1.55 4.77 -1.26 -4.91 117.00 109.05 2wat n LEU 1876Ca 0.29 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2wat n LEU 1876Cb 1.16 0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 42.57 2wat n LEU 1876CO 0.31 0.34 0.62 0.00 -1.33 0.00 0.00 177.39 177.33 2wat s GLN 1877N -2.80 1.31 0.10 3.23 -2.07 -1.11 -3.91 119.66 114.42 2wat s GLN 1877Ca -0.09 -0.68 0.10 0.00 -1.82 0.00 0.00 55.36 52.86 2wat s GLN 1877Cb 0.08 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.44 2wat s GLN 1877CO 0.85 -0.60 -0.23 0.00 -1.32 0.00 0.00 175.29 174.00 2wat s ALA 1878N -3.48 2.49 -0.01 2.60 0.00 0.29 -1.31 121.76 122.35 2wat s ALA 1878Ca 0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2wat s ALA 1878Cb -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2wat s ALA 1878CO 0.01 0.56 0.07 0.54 0.00 0.00 0.00 175.76 176.94 2wat s VAL 1879N -1.04 0.06 0.03 0.00 0.11 -0.15 -0.51 120.40 118.90 2wat s VAL 1879Ca 0.15 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2wat s VAL 1879Cb -0.10 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2wat s VAL 1879CO 0.07 -0.27 -0.05 0.00 -3.33 0.00 0.00 175.10 171.52 2wat s ALA 1880N -0.84 0.34 -0.05 1.54 0.00 -0.51 -1.18 121.76 121.06 2wat s ALA 1880Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2wat s ALA 1880Cb -0.06 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2wat s ALA 1880CO 0.00 -0.08 -0.10 0.08 0.00 0.00 0.00 175.76 175.67 2wat s VAL 1881N -1.32 0.91 0.08 0.00 1.01 -0.64 -1.68 120.40 118.76 2wat s VAL 1881Ca -0.12 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2wat s VAL 1881Cb -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2wat s VAL 1881CO -0.00 0.30 -0.24 0.00 0.00 0.00 0.00 175.10 175.15 2wat s ALA 1882N 0.58 2.09 -0.04 5.51 0.00 0.49 -1.05 121.76 129.35 2wat s ALA 1882Ca -0.11 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2wat s ALA 1882Cb -0.14 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2wat s ALA 1882CO 0.02 0.47 -0.09 0.14 0.00 0.00 0.00 175.76 176.30 2wat s VAL 1883N -0.94 0.82 0.16 0.00 -7.23 -0.25 -0.50 120.40 112.47 2wat s VAL 1883Ca 0.10 -0.34 0.08 0.00 -1.81 0.00 0.00 61.98 60.01 2wat s VAL 1883Cb -0.10 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 2wat s VAL 1883CO 0.03 0.27 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.08 2wat s SER 1884N 0.45 4.39 0.02 4.85 1.04 -0.17 -0.83 113.70 123.45 2wat s SER 1884Ca -0.08 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 55.94 2wat s SER 1884Cb -0.12 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.17 2wat s SER 1884CO 0.01 0.12 -0.24 -0.89 0.98 0.00 0.00 173.24 173.22 2wat s THR 1885N -1.59 1.91 -0.46 2.02 2.01 0.22 -2.52 115.64 117.23 2wat s THR 1885Ca 0.24 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 61.09 2wat s THR 1885Cb -0.09 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.83 2wat s THR 1885CO 0.15 0.39 0.62 0.29 -0.69 0.00 0.00 174.62 175.38