#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wat s GLY 1768N 0.00 -0.27 0.04 -0.02 0.00 -1.08 -4.94 107.32 101.05 2wat s GLY 1768Ca 0.00 2.03 0.03 0.00 0.00 0.00 0.00 44.72 46.77 2wat s GLY 1768CO 0.00 1.04 -0.09 0.54 0.00 0.00 0.00 173.10 174.59 2wat s VAL 1769N -1.09 0.65 -0.02 1.40 0.11 -1.26 -1.32 120.40 118.87 2wat s VAL 1769Ca -0.02 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 2wat s VAL 1769Cb -0.00 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2wat s VAL 1769CO 0.02 -0.30 0.08 -0.83 -3.33 0.00 0.00 175.10 170.73 2wat s GLY 1770N -1.48 -0.01 0.01 6.54 0.00 0.32 -3.83 107.32 108.86 2wat s GLY 1770Ca -0.07 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.74 2wat s GLY 1770CO 0.01 0.03 -0.03 0.54 0.00 0.00 0.00 173.10 173.64 2wat s VAL 1771N -0.35 0.23 -0.09 1.40 0.11 -1.26 -0.36 120.40 120.08 2wat s VAL 1771Ca -0.04 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.47 2wat s VAL 1771Cb -0.03 -0.26 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2wat s VAL 1771CO 0.00 -0.15 0.23 -0.62 -3.33 0.00 0.00 175.10 171.22 2wat s ASP 1772N -0.65 -0.24 -0.04 3.54 2.15 -0.75 -4.70 116.67 115.98 2wat s ASP 1772Ca -0.05 0.46 0.06 0.00 0.43 0.00 0.00 52.55 53.45 2wat s ASP 1772Cb -0.05 0.46 -0.01 0.00 -0.30 0.00 0.00 42.92 43.02 2wat s ASP 1772CO -0.00 -0.08 -0.22 0.54 -0.17 0.00 0.00 175.17 175.24 2wat s VAL 1773N 0.13 1.78 0.01 1.11 0.11 -1.26 -1.47 120.40 120.81 2wat s VAL 1773Ca -0.00 -0.94 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2wat s VAL 1773Cb -0.02 -1.50 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2wat s VAL 1773CO 0.00 0.50 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.59 2wat s GLU 1774N -0.28 0.59 0.28 1.54 0.41 0.21 -4.99 118.70 116.48 2wat s GLU 1774Ca 0.02 -0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 53.91 2wat s GLU 1774Cb -0.11 -0.54 -0.10 0.00 -1.78 0.00 0.00 34.13 31.60 2wat s GLU 1774CO 0.01 0.14 1.34 -0.51 -0.49 0.00 0.00 175.26 175.76 2wat s LEU 1775N -0.48 4.41 0.29 1.80 1.02 -1.26 -0.28 118.68 124.18 2wat s LEU 1775Ca 0.01 2.63 0.00 0.00 0.02 0.00 0.00 54.13 56.79 2wat s LEU 1775Cb -0.04 -3.63 0.51 0.00 0.02 0.00 0.00 46.19 43.05 2wat s LEU 1775CO -0.00 -0.58 1.89 0.40 0.02 0.00 0.00 176.35 178.08 2wat h ILE 1776N 3.31 1.04 0.00 -0.59 1.08 -1.72 -1.17 117.51 119.46 2wat h ILE 1776Ca -0.47 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2wat h ILE 1776Cb 1.22 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2wat h ILE 1776CO 0.71 0.19 0.00 0.35 -0.69 0.00 0.00 178.15 178.71 2wat n THR 1777N -4.51 0.13 0.24 -0.27 -2.24 -1.26 -2.73 114.28 103.63 2wat n THR 1777Ca 0.15 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 2wat n THR 1777Cb 0.23 -0.72 0.47 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.75 3.42 4.64 -1.59 -3.41 113.55 112.86 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 0.05 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.99 2wat h SER 1778CO 0.00 0.13 -0.28 -0.63 -0.87 0.00 0.00 176.83 175.17 2wat s ILE 1779N -3.54 5.20 -0.51 0.95 -1.09 -1.11 -5.04 121.20 116.06 2wat s ILE 1779Ca 0.02 0.49 -0.17 0.00 -2.23 0.00 0.00 60.65 58.77 2wat s ILE 1779Cb 0.09 -3.67 0.09 0.00 -1.58 0.00 0.00 42.46 37.38 2wat s ILE 1779CO 0.61 0.17 0.50 0.21 -1.23 0.00 0.00 174.94 175.20 2wat s ASN 1780N 1.66 6.18 0.57 3.58 3.84 -1.26 -4.93 114.94 124.58 2wat s ASN 1780Ca 0.14 -1.35 0.30 0.00 0.21 0.00 0.00 52.86 52.15 2wat s ASN 1780Cb -0.16 -2.22 1.75 0.00 -0.55 0.00 0.00 41.25 40.06 2wat s ASN 1780CO 0.10 -0.79 2.21 0.58 -2.79 0.00 0.00 177.10 176.40 2wat h VAL 1781N 5.82 0.50 0.00 -5.21 2.07 -1.96 -1.60 116.25 115.87 2wat h VAL 1781Ca -0.29 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2wat h VAL 1781Cb 1.10 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2wat h VAL 1781CO 0.95 0.04 -0.16 -0.33 0.02 0.00 0.00 177.57 178.09 2wat h GLU 1782N 0.00 0.00 -5.77 1.57 3.07 -2.05 -3.39 114.58 108.01 2wat h GLU 1782Ca -0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 2wat h GLU 1782Cb 0.11 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.94 2wat h GLU 1782CO 0.00 0.16 2.24 -1.71 -1.40 0.00 0.00 179.01 178.31 2wat n ASN 1783N -3.30 4.87 -0.14 1.42 2.85 -0.60 -4.79 115.26 115.56 2wat n ASN 1783Ca 0.00 -2.91 0.13 0.00 -0.11 0.00 0.00 54.58 51.69 2wat n ASN 1783Cb 0.41 -1.75 0.48 0.00 1.24 0.00 0.00 39.78 40.17 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 7.52 0.42 -0.08 1.20 3.32 -1.85 -1.65 116.42 125.30 2wat h ASP 1784Ca 0.45 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 2wat h ASP 1784Cb 0.86 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 2wat h ASP 1784CO 1.48 0.24 0.02 0.74 -1.72 0.00 0.00 179.24 179.99 2wat h THR 1785N 0.46 1.19 -0.35 0.35 2.02 -1.97 0.11 112.91 114.72 2wat h THR 1785Ca 0.33 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2wat h THR 1785Cb 0.67 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2wat h THR 1785CO -0.11 0.16 0.18 0.15 0.37 0.00 0.00 175.52 176.28 2wat h PHE 1786N -0.09 0.49 0.09 3.16 3.57 -1.80 -1.65 116.94 120.71 2wat h PHE 1786Ca 0.02 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wat h PHE 1786Cb 0.24 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2wat h PHE 1786CO 0.00 0.40 -0.04 0.82 -2.23 0.00 0.00 178.31 177.26 2wat h ILE 1787N 0.43 0.96 -0.20 1.41 1.08 -1.22 -2.56 117.51 117.41 2wat h ILE 1787Ca 0.12 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 2wat h ILE 1787Cb 0.08 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 2wat h ILE 1787CO -0.02 0.04 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.38 2wat h GLU 1788N -0.19 0.29 0.00 2.37 4.22 -0.75 -1.06 114.58 119.45 2wat h GLU 1788Ca -0.01 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.25 2wat h GLU 1788Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2wat h GLU 1788CO 0.02 0.34 -0.59 -0.09 -2.18 0.00 0.00 179.01 176.51 2wat h ARG 1789N 0.29 0.00 0.00 1.92 2.43 -1.12 -3.37 114.38 114.53 2wat h ARG 1789Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2wat h ARG 1789Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2wat h ARG 1789CO 0.01 0.59 -0.81 0.09 -1.51 0.00 0.00 179.97 178.34 2wat n ASN 1790N -3.52 2.26 -4.23 -3.80 3.02 -0.98 -4.09 115.26 103.92 2wat n ASN 1790Ca -0.00 -0.27 -0.28 0.00 -0.03 0.00 0.00 54.58 54.00 2wat n ASN 1790Cb 0.66 1.14 -0.16 0.00 -0.61 0.00 0.00 39.78 40.81 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 -1.99 2.02 0.74 3.10 0.08 -0.43 -3.02 117.98 118.49 2wat s PHE 1791Ca -0.00 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 2wat s PHE 1791Cb 0.04 -1.32 0.04 0.00 -0.57 0.00 0.00 43.02 41.21 2wat s PHE 1791CO 0.22 -0.10 1.08 0.95 -0.10 0.00 0.00 175.22 177.27 2wat s THR 1792N -0.33 3.49 0.42 0.64 -4.23 -1.26 -4.69 115.64 109.68 2wat s THR 1792Ca 0.03 0.50 0.17 0.00 -1.18 0.00 0.00 61.69 61.22 2wat s THR 1792Cb -0.10 -3.05 0.38 0.00 1.34 0.00 0.00 72.50 71.07 2wat s THR 1792CO 0.01 -0.62 1.87 -0.65 -0.54 0.00 0.00 174.62 174.69 2wat h PRO 1793N -0.93 0.39 -0.38 3.99 0.11 -1.97 -0.73 132.00 132.48 2wat h PRO 1793Ca -0.44 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2wat h PRO 1793Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2wat h PRO 1793CO 0.53 0.26 -0.22 1.96 -0.21 0.00 0.00 178.00 180.32 2wat h GLN 1794N 0.40 0.82 -0.38 1.05 7.50 -1.99 -1.49 115.11 121.03 2wat h GLN 1794Ca 0.45 -0.37 -0.06 0.00 0.50 0.00 0.00 58.65 59.17 2wat h GLN 1794Cb 1.11 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.61 2wat h GLN 1794CO -0.16 1.01 0.01 0.93 -1.50 0.00 0.00 178.83 179.12 2wat h GLU 1795N 0.62 0.66 -0.91 1.46 5.08 -1.54 -1.65 114.58 118.30 2wat h GLU 1795Ca 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2wat h GLU 1795Cb 0.78 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2wat h GLU 1795CO 0.06 0.75 0.53 0.82 -1.00 0.00 0.00 179.01 180.18 2wat h ILE 1796N 0.49 1.26 -0.34 3.13 2.04 -1.08 -0.20 117.51 122.80 2wat h ILE 1796Ca 0.11 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2wat h ILE 1796Cb 0.45 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 2wat h ILE 1796CO 0.02 0.28 -0.00 -0.08 0.00 0.00 0.00 178.15 178.36 2wat h GLU 1797N 1.26 0.60 0.69 2.37 4.81 -1.11 -0.76 114.58 122.45 2wat h GLU 1797Ca 0.32 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2wat h GLU 1797Cb -0.02 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.31 2wat h GLU 1797CO -0.06 0.72 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.69 2wat h TYR 1798N 0.40 -0.86 -0.92 0.92 3.20 -0.90 -2.87 116.97 115.94 2wat h TYR 1798Ca 0.09 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2wat h TYR 1798Cb 0.46 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 2wat h TYR 1798CO 0.04 -0.53 0.60 0.00 -1.64 0.00 0.00 178.16 176.63 2wat h SER 1800N 1.14 0.00 -0.03 0.00 0.02 -1.07 -2.65 113.55 110.95 2wat h SER 1800Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2wat h SER 1800Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2wat h SER 1800CO -0.12 0.00 -0.13 0.00 -1.14 0.00 0.00 176.83 175.45 2wat n ALA 1801N -1.93 2.76 -1.99 3.77 0.00 -0.49 -4.93 120.51 117.71 2wat n ALA 1801Ca -0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.46 2wat n ALA 1801Cb 0.18 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.11 3.61 0.20 0.00 -1.52 -1.00 -4.99 119.66 113.84 2wat s GLN 1802Ca 0.25 0.60 -0.11 0.00 -1.95 0.00 0.00 55.36 54.16 2wat s GLN 1802Cb 0.19 -2.17 0.21 0.00 -0.22 0.00 0.00 33.01 31.02 2wat s GLN 1802CO 0.37 -0.44 1.78 -1.35 -0.25 0.00 0.00 175.29 175.40 2wat h PRO 1803N -0.06 0.50 -4.58 2.91 0.11 -1.93 -3.32 132.00 125.63 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 1.19 -0.11 -0.35 0.00 0.11 0.00 0.00 31.00 31.84 2wat h PRO 1803CO 0.62 0.33 -0.61 0.45 -0.21 0.00 0.00 178.00 178.58 2wat s SER 1804N -5.48 5.11 0.13 -2.05 0.15 -1.26 -4.99 113.70 105.30 2wat s SER 1804Ca -0.13 -1.87 -0.15 0.00 0.70 0.00 0.00 55.95 54.50 2wat s SER 1804Cb 0.15 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.68 2wat s SER 1804CO 0.74 -0.45 1.60 0.58 1.20 0.00 0.00 173.24 176.91 2wat h VAL 1805N 6.42 1.24 -0.63 4.45 2.07 -1.78 -1.75 116.25 126.28 2wat h VAL 1805Ca -0.14 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 2wat h VAL 1805Cb 1.05 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2wat h VAL 1805CO 0.63 0.31 0.18 -0.61 0.02 0.00 0.00 177.57 178.10 2wat h GLN 1806N 0.52 0.99 -0.46 1.57 4.15 -1.94 -1.74 115.11 118.20 2wat h GLN 1806Ca 0.12 -0.23 -0.09 0.00 0.77 0.00 0.00 58.65 59.23 2wat h GLN 1806Cb 0.39 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2wat h GLN 1806CO 0.01 0.88 -0.08 1.03 -1.93 0.00 0.00 178.83 178.75 2wat h SER 1807N 0.91 0.80 -0.29 -0.69 0.87 -1.83 -1.37 113.55 111.95 2wat h SER 1807Ca 0.20 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 2wat h SER 1807Cb 0.32 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2wat h SER 1807CO -0.00 0.91 -0.00 -1.28 -0.53 0.00 0.00 176.83 175.93 2wat h SER 1808N 0.74 0.51 -0.72 6.23 0.87 -0.91 -0.79 113.55 119.47 2wat h SER 1808Ca 0.13 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2wat h SER 1808Cb 0.56 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2wat h SER 1808CO 0.03 0.70 0.44 -0.26 -0.53 0.00 0.00 176.83 177.21 2wat h PHE 1809N 0.31 0.95 -0.85 2.24 0.04 -1.23 -1.08 116.94 117.34 2wat h PHE 1809Ca 0.08 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2wat h PHE 1809Cb 0.44 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 2wat h PHE 1809CO 0.04 0.64 0.48 0.00 -0.60 0.00 0.00 178.31 178.87 2wat h ALA 1810N 1.23 1.08 -0.49 2.45 0.00 -1.01 0.14 119.26 122.66 2wat h ALA 1810Ca 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2wat h ALA 1810Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2wat h ALA 1810CO -0.05 0.58 0.02 0.78 0.00 0.00 0.00 179.25 180.58 2wat h GLY 1811N 1.17 0.91 1.07 0.00 0.00 -0.86 -1.53 103.07 103.84 2wat h GLY 1811Ca 0.30 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 2wat h GLY 1811CO -0.05 0.60 0.14 -0.84 0.00 0.00 0.00 176.54 176.39 2wat h THR 1812N 0.71 1.26 -0.66 4.70 2.02 -0.80 -1.20 112.91 118.93 2wat h THR 1812Ca 0.14 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 2wat h THR 1812Cb 0.48 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2wat h THR 1812CO 0.02 0.38 0.37 -0.25 0.37 0.00 0.00 175.52 176.41 2wat h TRP 1813N 1.04 0.90 -0.63 3.16 2.91 -0.60 -1.32 115.95 121.42 2wat h TRP 1813Ca 0.21 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.16 2wat h TRP 1813Cb 0.41 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 2wat h TRP 1813CO 0.03 0.64 0.17 0.77 -1.03 0.00 0.00 178.44 179.02 2wat h SER 1814N 0.90 0.91 -0.49 2.65 0.02 -1.01 -2.00 113.55 114.53 2wat h SER 1814Ca 0.23 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2wat h SER 1814Cb 0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2wat h SER 1814CO -0.04 0.87 0.12 0.00 -1.14 0.00 0.00 176.83 176.64 2wat h ALA 1815N 1.25 0.65 -0.42 3.77 0.00 -0.79 0.50 119.26 124.23 2wat h ALA 1815Ca 0.20 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wat h ALA 1815Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2wat h ALA 1815CO -0.00 0.34 0.19 0.87 0.00 0.00 0.00 179.25 180.65 2wat h LYS 1816N 0.68 0.38 -0.44 0.00 1.57 -0.97 0.35 116.57 118.14 2wat h LYS 1816Ca 0.16 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2wat h LYS 1816Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2wat h LYS 1816CO 0.00 0.25 0.02 0.93 -0.57 0.00 0.00 179.45 180.08 2wat h GLU 1817N 0.39 0.76 -0.19 3.15 4.39 -1.12 -1.17 114.58 120.79 2wat h GLU 1817Ca 0.18 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2wat h GLU 1817Cb 0.12 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2wat h GLU 1817CO -0.15 0.81 0.11 0.00 -1.16 0.00 0.00 179.01 178.62 2wat h ALA 1818N 0.92 0.24 -0.49 3.43 0.00 -0.66 -1.64 119.26 121.05 2wat h ALA 1818Ca 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2wat h ALA 1818Cb 0.46 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2wat h ALA 1818CO 0.02 -0.23 0.23 0.28 0.00 0.00 0.00 179.25 179.54 2wat h VAL 1819N 0.21 0.92 -0.65 0.00 2.07 -0.78 -2.28 116.25 115.74 2wat h VAL 1819Ca 0.07 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2wat h VAL 1819Cb 0.06 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2wat h VAL 1819CO -0.01 0.08 0.36 0.15 0.02 0.00 0.00 177.57 178.17 2wat h PHE 1820N 0.44 0.66 0.00 1.57 3.57 -0.90 -2.09 116.94 120.20 2wat h PHE 1820Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2wat h PHE 1820Cb 0.16 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2wat h PHE 1820CO -0.12 0.32 -0.21 0.87 -2.23 0.00 0.00 178.31 176.95 2wat h LYS 1821N 0.67 0.00 0.00 1.11 1.57 -0.80 -2.47 116.57 116.65 2wat h LYS 1821Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2wat h LYS 1821Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2wat h LYS 1821CO -0.17 0.21 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 2wat h SER 1822N 0.00 0.00 0.84 0.86 4.64 -0.84 -3.29 113.55 115.76 2wat h SER 1822Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2wat h SER 1822Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 2wat h SER 1822CO 0.03 0.00 -0.56 -0.07 -0.87 0.00 0.00 176.83 175.36 2wat h LEU 1823N 0.00 0.00 -1.85 5.97 3.38 -1.30 -3.38 115.31 118.12 2wat h LEU 1823Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2wat h LEU 1823Cb 0.71 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.55 2wat h LEU 1823CO 0.00 0.56 -0.39 0.61 0.09 0.00 0.00 178.44 179.30 2wat n GLY 1824N 0.47 0.03 3.46 0.83 0.00 -1.24 -4.92 105.19 103.82 2wat n GLY 1824Ca -0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.18 1.05 0.24 1.61 -7.23 -1.26 -5.01 120.40 106.62 2wat s VAL 1825Ca 0.01 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.89 2wat s VAL 1825Cb -0.00 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.15 2wat s VAL 1825CO 0.37 0.00 0.92 -0.75 -0.31 0.00 0.00 175.10 175.33 2wat s LYS 1826N -3.87 4.79 0.27 4.82 2.20 -1.26 -5.03 119.74 121.65 2wat s LYS 1826Ca 0.34 1.42 -0.29 0.00 -0.36 0.00 0.00 55.97 57.08 2wat s LYS 1826Cb 0.08 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 33.08 2wat s LYS 1826CO 0.15 0.50 1.16 0.45 -0.36 0.00 0.00 175.35 177.25 2wat s SER 1827N -1.23 7.13 0.00 1.43 0.15 -1.26 -4.93 113.70 114.99 2wat s SER 1827Ca 0.41 2.35 0.30 0.00 0.70 0.00 0.00 55.95 59.72 2wat s SER 1827Cb -0.25 -2.63 1.57 0.00 -1.71 0.00 0.00 66.02 63.01 2wat s SER 1827CO 0.30 -0.27 2.07 0.18 1.20 0.00 0.00 173.24 176.72 2wat n LEU 1828N 1.40 0.11 0.00 3.45 4.77 -1.26 -4.99 117.00 120.49 2wat n LEU 1828Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2wat n LEU 1828Cb 0.44 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2wat n LEU 1828CO 0.55 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2wat n GLY 1829N 1.20 3.72 0.41 -0.72 0.00 -1.26 -4.76 105.19 103.78 2wat n GLY 1829Ca 0.17 -1.65 0.23 0.00 0.00 0.00 0.00 46.02 44.77 2wat n GLY 1829CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wat h GLY 1830N 0.00 0.00 -1.82 -0.02 0.00 -2.05 -1.63 103.07 97.55 2wat h GLY 1830Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wat h GLY 1830CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wat n GLY 1831N -1.57 1.00 3.75 4.60 0.00 -1.26 -4.98 105.19 106.73 2wat n GLY 1831Ca 0.11 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2wat n GLY 1831CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wat s ALA 1832N -1.91 3.49 0.65 4.61 0.00 -0.62 -4.98 121.76 123.00 2wat s ALA 1832Ca 0.31 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 2wat s ALA 1832Cb 0.21 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 2wat s ALA 1832CO 0.31 -0.49 1.15 0.00 0.00 0.00 0.00 175.76 176.72 2wat s ALA 1833N -0.55 2.42 -0.17 0.00 0.00 -1.26 -4.97 121.76 117.22 2wat s ALA 1833Ca 0.52 0.74 0.16 0.00 0.00 0.00 0.00 51.96 53.38 2wat s ALA 1833Cb -0.37 -3.38 0.40 0.00 0.00 0.00 0.00 23.12 19.77 2wat s ALA 1833CO 0.44 -1.35 1.27 1.28 0.00 0.00 0.00 175.76 177.40 2wat n LEU 1834N -2.22 3.01 0.25 0.00 4.77 -1.26 -4.70 117.00 116.85 2wat n LEU 1834Ca 0.12 -3.27 0.09 0.00 -0.03 0.00 0.00 56.01 52.92 2wat n LEU 1834Cb 0.51 -0.50 0.64 0.00 -2.33 0.00 0.00 43.42 41.74 2wat n LEU 1834CO 0.46 0.87 0.96 0.50 -1.33 0.00 0.00 177.39 178.85 2wat h LYS 1835N 0.73 0.00 0.00 3.23 3.64 -1.69 -2.43 116.57 120.06 2wat h LYS 1835Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wat h LYS 1835Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2wat h LYS 1835CO 0.10 0.13 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.97 2wat h ASP 1836N 0.00 0.00 -3.26 4.20 3.32 -1.86 -3.38 116.42 115.44 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 0.27 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.57 2wat h ASP 1836CO 0.02 0.00 -0.33 -0.63 -1.72 0.00 0.00 179.24 176.58 2wat s ILE 1837N -3.85 4.87 -0.18 0.35 1.01 -0.91 -0.59 121.20 121.90 2wat s ILE 1837Ca -0.01 -1.39 -0.07 0.00 0.00 0.00 0.00 60.65 59.18 2wat s ILE 1837Cb 0.10 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2wat s ILE 1837CO 0.50 -0.69 0.06 -0.70 0.00 0.00 0.00 174.94 174.10 2wat s GLU 1838N 1.54 3.94 -0.31 2.79 2.12 -0.40 -4.84 118.70 123.55 2wat s GLU 1838Ca 0.04 -0.35 -0.17 0.00 0.36 0.00 0.00 54.97 54.84 2wat s GLU 1838Cb -0.26 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 2wat s GLU 1838CO 0.03 0.29 0.48 0.42 -0.54 0.00 0.00 175.26 175.94 2wat s ILE 1839N 0.33 5.07 -0.13 -3.70 -1.09 -1.26 -1.30 121.20 119.11 2wat s ILE 1839Ca 0.03 0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 58.94 2wat s ILE 1839Cb -0.12 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 2wat s ILE 1839CO 0.00 -0.06 -0.04 0.68 -1.23 0.00 0.00 174.94 174.30 2wat s VAL 1840N 2.29 3.91 -0.04 2.92 -7.23 -0.01 -4.78 120.40 117.47 2wat s VAL 1840Ca 0.18 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.96 2wat s VAL 1840Cb -0.16 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.11 2wat s VAL 1840CO 0.11 0.52 0.09 0.00 -0.31 0.00 0.00 175.10 175.52 2wat s ARG 1841N 0.02 0.08 0.00 4.82 3.03 -1.26 -0.23 118.95 125.41 2wat s ARG 1841Ca 0.01 0.17 0.00 0.00 2.03 0.00 0.00 55.73 57.94 2wat s ARG 1841Cb -0.13 -0.03 0.00 0.00 -1.03 0.00 0.00 34.95 33.76 2wat s ARG 1841CO 0.03 -0.06 0.00 1.33 -1.13 0.00 0.00 175.30 175.47 2wat n VAL 1842N 3.38 0.00 0.02 4.99 0.24 -1.26 -4.84 118.33 120.85 2wat n VAL 1842Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2wat n VAL 1842Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 2wat n VAL 1842CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2wat n ASN 1843N 0.00 0.47 -4.06 -1.34 3.02 -1.26 -4.67 115.26 107.42 2wat n ASN 1843Ca 0.00 -0.74 -0.20 0.00 -0.03 0.00 0.00 54.58 53.60 2wat n ASN 1843Cb 0.00 -0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 38.93 2wat n ASN 1843CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wat s LYS 1844N 1.39 0.92 -0.01 3.52 1.02 -1.26 -5.08 119.74 120.25 2wat s LYS 1844Ca 0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 2wat s LYS 1844Cb 0.00 -0.89 -0.00 0.00 -0.52 0.00 0.00 37.83 36.42 2wat s LYS 1844CO 0.00 0.24 -0.00 -0.91 -0.92 0.00 0.00 175.35 173.76 2wat h ASN 1845N 5.83 0.00 -4.02 2.83 -0.26 -1.98 -3.47 115.58 114.53 2wat h ASN 1845Ca -0.32 0.00 -0.45 0.00 -0.56 0.00 0.00 56.30 54.96 2wat h ASN 1845Cb 1.17 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.41 2wat h ASN 1845CO 0.49 0.05 0.30 0.00 -1.06 0.00 0.00 177.43 177.21 2wat s ALA 1846N -2.96 3.09 0.62 -0.83 0.00 -1.26 -4.98 121.76 115.44 2wat s ALA 1846Ca -0.00 0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 2wat s ALA 1846Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 2wat s ALA 1846CO 0.00 0.13 1.29 -0.35 0.00 0.00 0.00 175.76 176.83 2wat n PRO 1847N -0.69 1.27 -4.39 0.00 -0.05 -1.26 -4.90 135.00 124.99 2wat n PRO 1847Ca 0.06 0.49 -0.20 0.00 -0.05 0.00 0.00 63.50 63.80 2wat n PRO 1847Cb 0.54 -2.52 -0.10 0.00 -0.05 0.00 0.00 33.50 31.37 2wat n PRO 1847CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2wat s ALA 1848N -1.36 2.22 -0.11 0.55 0.00 0.68 -4.51 121.76 119.23 2wat s ALA 1848Ca 0.79 -1.77 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 2wat s ALA 1848Cb -0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2wat s ALA 1848CO 0.43 0.05 -0.04 0.08 0.00 0.00 0.00 175.76 176.29 2wat s VAL 1849N -2.92 3.95 -0.12 0.00 1.01 -1.26 -0.83 120.40 120.23 2wat s VAL 1849Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2wat s VAL 1849Cb 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.74 2wat s VAL 1849CO 0.10 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.09 2wat s GLU 1850N -0.33 1.25 0.04 2.72 2.02 -0.42 -4.92 118.70 119.05 2wat s GLU 1850Ca 0.06 -0.23 -0.15 0.00 0.02 0.00 0.00 54.97 54.67 2wat s GLU 1850Cb -0.12 -1.55 -0.06 0.00 0.10 0.00 0.00 34.13 32.49 2wat s GLU 1850CO 0.02 -0.33 0.45 -0.51 0.02 0.00 0.00 175.26 174.92 2wat s LEU 1851N 1.76 4.46 0.29 1.80 1.43 -1.26 -1.27 118.68 125.89 2wat s LEU 1851Ca 0.04 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 2wat s LEU 1851Cb -0.13 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2wat s LEU 1851CO -0.07 0.28 0.09 -1.00 0.23 0.00 0.00 176.35 175.88 2wat s HIS 1852N -1.16 1.68 0.00 0.29 3.76 0.24 -4.62 115.29 115.48 2wat s HIS 1852Ca 0.27 -1.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 2wat s HIS 1852Cb -0.17 -1.02 0.00 0.00 1.11 0.00 0.00 32.58 32.50 2wat s HIS 1852CO 0.16 -0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 2wat n GLY 1853N -0.57 2.91 0.29 -2.22 0.00 -1.26 -1.84 105.19 102.50 2wat n GLY 1853Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.69 -0.61 1.61 2.35 -1.99 -2.32 115.58 115.31 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 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2wat h ASN 1854CO 0.00 0.73 0.39 0.00 -1.65 0.00 0.00 177.43 176.90 2wat h ALA 1855N 1.35 0.78 -0.13 -0.83 0.00 -1.68 0.10 119.26 118.84 2wat h ALA 1855Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wat h ALA 1855Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wat h ALA 1855CO 0.01 0.23 0.05 -0.22 0.00 0.00 0.00 179.25 179.32 2wat h LYS 1856N 0.83 0.21 0.12 0.00 3.64 -1.06 -0.21 116.57 120.10 2wat h LYS 1856Ca 0.22 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2wat h LYS 1856Cb -0.06 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2wat h LYS 1856CO -0.05 0.33 -0.15 0.87 -2.27 0.00 0.00 179.45 178.18 2wat h LYS 1857N 0.04 -0.31 -0.84 1.90 1.57 -1.23 -0.49 116.57 117.22 2wat h LYS 1857Ca 0.04 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2wat h LYS 1857Cb 0.20 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 2wat h LYS 1857CO -0.00 -0.20 0.53 0.00 -0.57 0.00 0.00 179.45 179.20 2wat h ALA 1858N 0.52 1.12 0.04 3.86 0.00 -0.74 0.62 119.26 124.67 2wat h ALA 1858Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wat h ALA 1858Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wat h ALA 1858CO -0.06 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.50 2wat h ALA 1859N 1.37 -0.05 -0.89 0.00 0.00 -0.82 -1.74 119.26 117.12 2wat h ALA 1859Ca 0.34 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2wat h ALA 1859Cb 0.07 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 2wat h ALA 1859CO -0.14 -0.44 0.57 0.93 0.00 0.00 0.00 179.25 180.18 2wat h GLU 1860N -0.23 1.07 0.00 0.00 5.08 -0.84 -0.01 114.58 119.66 2wat h GLU 1860Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2wat h GLU 1860Cb 0.21 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2wat h GLU 1860CO 0.01 0.71 -0.08 1.49 -1.00 0.00 0.00 179.01 180.13 2wat h GLU 1861N 1.10 0.00 -0.02 2.33 4.81 -0.72 -0.94 114.58 121.15 2wat h GLU 1861Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 2wat h GLU 1861Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2wat h GLU 1861CO -0.13 0.08 -0.10 0.00 -0.73 0.00 0.00 179.01 178.14 2wat n ALA 1862N -2.30 2.73 -0.97 2.92 0.00 -0.13 -4.95 120.51 117.81 2wat n ALA 1862Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2wat n ALA 1862Cb 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.29 0.49 3.70 0.00 0.00 -0.36 -5.01 105.19 105.31 2wat n GLY 1863Ca 0.15 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 3.32 -0.24 1.61 1.01 -0.51 -4.29 120.40 119.30 2wat s VAL 1864Ca 0.00 0.83 0.12 0.00 0.00 0.00 0.00 61.98 62.92 2wat s VAL 1864Cb 0.00 -3.53 -0.16 0.00 0.00 0.00 0.00 36.38 32.69 2wat s VAL 1864CO 0.00 0.02 0.36 0.35 0.00 0.00 0.00 175.10 175.83 2wat n THR 1865N 4.43 0.00 -3.55 3.92 -2.24 0.77 -4.45 114.28 113.17 2wat n THR 1865Ca 0.13 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.51 2wat n THR 1865Cb 0.42 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.86 -0.53 -0.03 3.42 2.15 -1.21 -5.00 116.67 112.60 2wat s ASP 1866Ca -0.01 0.57 0.01 0.00 0.43 0.00 0.00 52.55 53.55 2wat s ASP 1866Cb 0.08 0.43 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 2wat s ASP 1866CO 0.49 -0.49 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.29 2wat s VAL 1867N -1.18 0.32 0.03 1.11 1.01 -1.26 -1.23 120.40 119.21 2wat s VAL 1867Ca -0.07 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2wat s VAL 1867Cb -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2wat s VAL 1867CO 0.06 0.17 -0.07 -0.54 0.00 0.00 0.00 175.10 174.72 2wat s LYS 1868N 0.91 2.48 0.04 2.72 -0.14 -0.48 -4.34 119.74 120.93 2wat s LYS 1868Ca -0.10 -0.78 0.01 0.00 -1.36 0.00 0.00 55.97 53.73 2wat s LYS 1868Cb -0.14 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 2wat s LYS 1868CO -0.01 0.58 -0.05 0.54 -0.76 0.00 0.00 175.35 175.66 2wat s VAL 1869N -1.06 0.30 0.03 3.17 0.11 -1.26 -1.52 120.40 120.17 2wat s VAL 1869Ca 0.18 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.06 2wat s VAL 1869Cb -0.11 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2wat s VAL 1869CO 0.09 -0.58 -0.07 -0.55 -3.33 0.00 0.00 175.10 170.67 2wat s SER 1870N -1.87 0.75 0.04 3.54 0.15 -0.43 -4.56 113.70 111.32 2wat s SER 1870Ca -0.08 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2wat s SER 1870Cb -0.06 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.24 2wat s SER 1870CO -0.02 -0.13 -0.18 -0.63 1.20 0.00 0.00 173.24 173.48 2wat s ILE 1871N -1.02 1.40 -0.02 6.45 1.01 -1.26 -1.66 121.20 126.09 2wat s ILE 1871Ca -0.07 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.43 2wat s ILE 1871Cb -0.08 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.17 2wat s ILE 1871CO 0.00 0.14 0.19 -0.55 0.00 0.00 0.00 174.94 174.72 2wat s SER 1872N -1.08 -0.08 0.04 3.58 0.15 -0.13 -5.01 113.70 111.18 2wat s SER 1872Ca 0.05 0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.75 2wat s SER 1872Cb -0.08 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2wat s SER 1872CO 0.01 -0.32 -0.13 -1.00 1.20 0.00 0.00 173.24 173.00 2wat s HIS 1873N -1.02 1.15 0.00 3.44 0.09 -1.26 -0.75 115.29 116.94 2wat s HIS 1873Ca -0.11 -0.38 0.00 0.00 -0.00 0.00 0.00 55.06 54.57 2wat s HIS 1873Cb -0.06 -0.68 0.00 0.00 -0.00 0.00 0.00 32.58 31.85 2wat s HIS 1873CO 0.02 0.03 0.00 -0.40 -0.00 0.00 0.00 174.74 174.39 2wat n ASP 1874N 1.77 1.85 0.22 1.40 5.68 -0.48 -5.02 116.55 121.97 2wat n ASP 1874Ca -0.19 -0.83 0.10 0.00 -0.50 0.00 0.00 54.79 53.38 2wat n ASP 1874Cb 0.55 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.96 2wat n ASP 1874CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2wat h ASP 1875N 0.00 0.00 0.06 -1.12 2.03 -2.03 -3.30 116.42 112.06 2wat h ASP 1875Ca 0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 2wat h ASP 1875Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 2wat h ASP 1875CO 0.00 0.20 -2.06 -0.11 -1.03 0.00 0.00 179.24 176.25 2wat n LEU 1876N -3.32 2.54 -4.15 0.15 0.00 -1.26 -4.84 117.00 106.12 2wat n LEU 1876Ca 0.01 0.17 -0.10 0.00 0.00 0.00 0.00 56.01 56.09 2wat n LEU 1876Cb 0.45 -1.01 -0.10 0.00 0.00 0.00 0.00 43.42 42.75 2wat n LEU 1876CO 0.33 0.76 -0.35 -1.10 0.00 0.00 0.00 177.39 177.03 2wat s GLN 1877N -2.51 0.82 0.16 1.96 -0.21 -1.24 -1.96 119.66 116.66 2wat s GLN 1877Ca -0.28 -1.35 0.11 0.00 0.02 0.00 0.00 55.36 53.86 2wat s GLN 1877Cb 0.08 0.03 -0.04 0.00 1.00 0.00 0.00 33.01 34.08 2wat s GLN 1877CO 0.67 -0.12 -0.25 0.00 -2.12 0.00 0.00 175.29 173.47 2wat s ALA 1878N -3.83 2.41 -0.02 6.09 0.00 0.61 -1.38 121.76 125.65 2wat s ALA 1878Ca 0.15 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 2wat s ALA 1878Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2wat s ALA 1878CO -0.04 0.47 0.11 0.54 0.00 0.00 0.00 175.76 176.84 2wat s VAL 1879N -1.36 0.05 0.03 0.00 0.11 0.07 -0.62 120.40 118.69 2wat s VAL 1879Ca 0.17 -0.42 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2wat s VAL 1879Cb -0.09 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2wat s VAL 1879CO 0.08 -0.23 -0.06 0.00 -3.33 0.00 0.00 175.10 171.55 2wat s ALA 1880N -0.76 0.43 -0.04 1.54 0.00 -0.54 -0.96 121.76 121.43 2wat s ALA 1880Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2wat s ALA 1880Cb -0.05 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2wat s ALA 1880CO 0.01 -0.06 -0.09 0.08 0.00 0.00 0.00 175.76 175.70 2wat s VAL 1881N -1.39 0.82 0.07 0.00 1.01 -0.67 -1.81 120.40 118.43 2wat s VAL 1881Ca -0.12 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.61 2wat s VAL 1881Cb -0.10 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2wat s VAL 1881CO -0.00 0.27 -0.23 0.00 0.00 0.00 0.00 175.10 175.15 2wat s ALA 1882N 0.50 1.93 -0.03 5.51 0.00 0.51 -1.32 121.76 128.86 2wat s ALA 1882Ca -0.09 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2wat s ALA 1882Cb -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2wat s ALA 1882CO 0.01 0.43 -0.09 0.14 0.00 0.00 0.00 175.76 176.25 2wat s VAL 1883N -0.90 0.83 0.16 0.00 -7.23 -0.57 -0.52 120.40 112.16 2wat s VAL 1883Ca 0.09 -0.36 0.09 0.00 -1.81 0.00 0.00 61.98 59.98 2wat s VAL 1883Cb -0.09 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 2wat s VAL 1883CO 0.03 0.27 -0.11 -0.94 -0.31 0.00 0.00 175.10 174.03 2wat s SER 1884N 0.35 4.21 0.04 4.85 1.04 -0.43 -1.38 113.70 122.38 2wat s SER 1884Ca -0.06 -0.55 0.09 0.00 0.48 0.00 0.00 55.95 55.91 2wat s SER 1884Cb -0.11 -0.71 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 2wat s SER 1884CO 0.01 0.13 -0.26 -0.89 0.98 0.00 0.00 173.24 173.21 2wat s THR 1885N -1.55 2.10 -0.44 2.02 2.01 -0.36 -2.63 115.64 116.80 2wat s THR 1885Ca 0.23 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 60.92 2wat s THR 1885Cb -0.09 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.65 2wat s THR 1885CO 0.14 0.37 0.61 0.29 -0.69 0.00 0.00 174.62 175.35