#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 -0.28 0.03 -0.02 0.00 -1.04 -4.93 107.32 101.07 2wat s GLY 1768Ca 0.00 1.97 0.02 0.00 0.00 0.00 0.00 44.72 46.71 2wat s GLY 1768CO 0.00 0.99 -0.07 0.54 0.00 0.00 0.00 173.10 174.56 2wat s VAL 1769N -1.22 0.50 0.00 1.40 0.11 -1.26 -1.32 120.40 118.61 2wat s VAL 1769Ca -0.01 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2wat s VAL 1769Cb -0.00 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2wat s VAL 1769CO 0.01 -0.21 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.72 2wat s GLY 1770N -1.08 0.15 0.01 6.54 0.00 0.12 -3.52 107.32 109.55 2wat s GLY 1770Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.46 2wat s GLY 1770CO 0.00 -0.21 -0.03 0.54 0.00 0.00 0.00 173.10 173.40 2wat s VAL 1771N -0.33 0.22 -0.10 1.40 0.11 -1.26 -0.70 120.40 119.74 2wat s VAL 1771Ca -0.02 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 58.40 2wat s VAL 1771Cb -0.03 -0.27 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2wat s VAL 1771CO -0.00 -0.20 0.28 -0.62 -3.33 0.00 0.00 175.10 171.22 2wat s ASP 1772N -0.78 -0.29 -0.04 3.54 2.15 -0.72 -4.59 116.67 115.94 2wat s ASP 1772Ca -0.06 0.56 0.06 0.00 0.43 0.00 0.00 52.55 53.53 2wat s ASP 1772Cb -0.05 0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 43.12 2wat s ASP 1772CO -0.00 -0.10 -0.21 0.54 -0.17 0.00 0.00 175.17 175.23 2wat s VAL 1773N 0.16 1.72 -0.00 1.11 0.11 -1.26 -1.31 120.40 120.93 2wat s VAL 1773Ca -0.00 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.17 2wat s VAL 1773Cb -0.02 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2wat s VAL 1773CO 0.00 0.49 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.58 2wat s GLU 1774N -0.21 0.51 0.33 1.54 0.41 0.68 -4.98 118.70 116.97 2wat s GLU 1774Ca 0.01 -0.26 -0.29 0.00 -0.41 0.00 0.00 54.97 54.02 2wat s GLU 1774Cb -0.11 -0.48 -0.10 0.00 -1.78 0.00 0.00 34.13 31.66 2wat s GLU 1774CO 0.02 0.13 1.31 -0.51 -0.49 0.00 0.00 175.26 175.71 2wat s LEU 1775N -0.25 4.43 0.31 1.80 1.02 -1.26 0.25 118.68 124.97 2wat s LEU 1775Ca 0.02 2.69 -0.01 0.00 0.02 0.00 0.00 54.13 56.85 2wat s LEU 1775Cb -0.03 -3.65 0.50 0.00 0.02 0.00 0.00 46.19 43.03 2wat s LEU 1775CO -0.00 -0.54 1.97 0.40 0.02 0.00 0.00 176.35 178.20 2wat h ILE 1776N 3.04 1.18 0.00 -0.59 1.08 -1.87 -1.47 117.51 118.88 2wat h ILE 1776Ca -0.49 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2wat h ILE 1776Cb 1.23 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2wat h ILE 1776CO 0.65 0.19 0.00 0.35 -0.69 0.00 0.00 178.15 178.66 2wat n THR 1777N -4.43 0.12 0.26 -0.27 -2.24 -1.26 -2.73 114.28 103.73 2wat n THR 1777Ca 0.09 0.03 0.16 0.00 -2.27 0.00 0.00 64.05 62.06 2wat n THR 1777Cb 0.05 -0.69 0.56 0.00 -2.10 0.00 0.00 70.33 68.15 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 -3.79 3.42 4.64 -1.64 -3.41 113.55 112.77 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 0.06 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.99 2wat h SER 1778CO 0.00 0.02 -0.45 -0.63 -0.87 0.00 0.00 176.83 174.90 2wat s ILE 1779N -3.57 5.29 -0.48 0.95 -1.09 -1.11 -5.04 121.20 116.17 2wat s ILE 1779Ca 0.02 0.27 -0.14 0.00 -2.23 0.00 0.00 60.65 58.57 2wat s ILE 1779Cb 0.08 -3.56 0.09 0.00 -1.58 0.00 0.00 42.46 37.49 2wat s ILE 1779CO 0.58 0.25 0.39 0.21 -1.23 0.00 0.00 174.94 175.14 2wat s ASN 1780N 1.57 6.04 0.52 3.58 3.84 -1.26 -4.94 114.94 124.28 2wat s ASN 1780Ca 0.09 -1.49 0.24 0.00 0.21 0.00 0.00 52.86 51.91 2wat s ASN 1780Cb -0.15 -2.14 1.43 0.00 -0.55 0.00 0.00 41.25 39.84 2wat s ASN 1780CO 0.09 -0.67 2.11 0.58 -2.79 0.00 0.00 177.10 176.42 2wat h VAL 1781N 5.87 0.72 0.00 -5.21 2.07 -1.97 -1.93 116.25 115.80 2wat h VAL 1781Ca -0.27 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wat h VAL 1781Cb 1.10 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2wat h VAL 1781CO 0.89 0.09 0.00 -0.33 0.02 0.00 0.00 177.57 178.24 2wat h GLU 1782N 0.00 0.00 -5.40 1.57 3.07 -2.05 -3.40 114.58 108.36 2wat h GLU 1782Ca -0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 2wat h GLU 1782Cb 0.22 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.03 2wat h GLU 1782CO 0.01 0.00 2.06 -1.71 -1.40 0.00 0.00 179.01 177.97 2wat n ASN 1783N -2.96 4.94 -0.16 1.42 2.85 -0.73 -4.81 115.26 115.82 2wat n ASN 1783Ca 0.03 -2.93 0.12 0.00 -0.11 0.00 0.00 54.58 51.68 2wat n ASN 1783Cb 0.42 -1.69 0.45 0.00 1.24 0.00 0.00 39.78 40.20 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 7.31 0.48 -0.14 1.20 3.32 -1.84 -1.64 116.42 125.11 2wat h ASP 1784Ca 0.42 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 2wat h ASP 1784Cb 0.85 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2wat h ASP 1784CO 1.44 0.28 0.05 0.74 -1.72 0.00 0.00 179.24 180.02 2wat h THR 1785N 0.53 1.17 -0.14 0.35 2.02 -1.97 0.76 112.91 115.63 2wat h THR 1785Ca 0.34 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2wat h THR 1785Cb 0.62 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2wat h THR 1785CO -0.12 0.15 0.07 0.15 0.37 0.00 0.00 175.52 176.14 2wat h PHE 1786N 0.05 0.20 -0.19 3.16 3.57 -1.76 -2.09 116.94 119.89 2wat h PHE 1786Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2wat h PHE 1786Cb 0.20 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2wat h PHE 1786CO -0.01 0.24 0.05 0.82 -2.23 0.00 0.00 178.31 177.19 2wat h ILE 1787N 0.10 0.94 -0.08 1.41 1.08 -1.24 -2.67 117.51 117.05 2wat h ILE 1787Ca 0.05 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2wat h ILE 1787Cb 0.12 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2wat h ILE 1787CO -0.01 0.03 -0.36 -0.08 -0.69 0.00 0.00 178.15 177.04 2wat h GLU 1788N 0.14 0.15 0.00 2.37 4.57 -0.80 -0.55 114.58 120.46 2wat h GLU 1788Ca 0.08 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 2wat h GLU 1788Cb 0.06 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2wat h GLU 1788CO -0.09 0.49 -0.52 -0.09 -1.18 0.00 0.00 179.01 177.62 2wat h ARG 1789N 0.13 0.00 0.00 1.92 2.43 -1.16 -3.37 114.38 114.33 2wat h ARG 1789Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2wat h ARG 1789Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2wat h ARG 1789CO 0.05 0.52 -0.61 0.09 -1.51 0.00 0.00 179.97 178.51 2wat n ASN 1790N -3.68 1.62 -4.19 -3.80 3.02 -0.96 -4.10 115.26 103.17 2wat n ASN 1790Ca -0.01 -0.38 -0.27 0.00 -0.03 0.00 0.00 54.58 53.89 2wat n ASN 1790Cb 0.58 1.09 -0.16 0.00 -0.61 0.00 0.00 39.78 40.68 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 -1.80 1.84 0.75 3.10 0.08 -0.25 -3.29 117.98 118.39 2wat s PHE 1791Ca 0.00 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 2wat s PHE 1791Cb 0.04 -1.20 0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2wat s PHE 1791CO 0.20 -0.09 1.08 0.95 -0.10 0.00 0.00 175.22 177.27 2wat s THR 1792N -0.30 3.57 0.27 0.64 -4.23 -1.26 -4.67 115.64 109.66 2wat s THR 1792Ca 0.03 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 2wat s THR 1792Cb -0.09 -3.09 0.25 0.00 1.34 0.00 0.00 72.50 70.91 2wat s THR 1792CO 0.00 -0.67 1.81 -0.65 -0.54 0.00 0.00 174.62 174.58 2wat h PRO 1793N -0.99 0.82 -0.34 3.99 0.11 -1.97 0.08 132.00 133.71 2wat h PRO 1793Ca -0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2wat h PRO 1793Cb 1.22 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2wat h PRO 1793CO 0.53 0.55 0.18 1.96 -0.21 0.00 0.00 178.00 181.01 2wat h GLN 1794N 0.85 0.48 -0.81 1.05 7.50 -1.98 0.10 115.11 122.29 2wat h GLN 1794Ca 0.46 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.53 2wat h GLN 1794Cb 0.50 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 2wat h GLN 1794CO -0.28 0.41 0.41 0.93 -1.50 0.00 0.00 178.83 178.79 2wat h GLU 1795N 0.42 1.16 -0.76 1.46 5.08 -1.58 -1.30 114.58 119.05 2wat h GLU 1795Ca 0.12 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2wat h GLU 1795Cb 0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2wat h GLU 1795CO -0.02 0.88 0.26 0.82 -1.00 0.00 0.00 179.01 179.96 2wat h ILE 1796N 1.14 1.26 -0.40 3.13 2.04 -0.73 -0.90 117.51 123.05 2wat h ILE 1796Ca 0.28 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2wat h ILE 1796Cb 0.09 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2wat h ILE 1796CO -0.04 0.35 0.04 -0.08 0.00 0.00 0.00 178.15 178.42 2wat h GLU 1797N 1.12 0.68 0.47 2.37 4.81 -0.58 -1.01 114.58 122.45 2wat h GLU 1797Ca 0.25 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2wat h GLU 1797Cb 0.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2wat h GLU 1797CO -0.01 0.75 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.87 2wat h TYR 1798N 0.52 -0.58 -0.88 0.92 3.20 -1.02 -2.89 116.97 116.24 2wat h TYR 1798Ca 0.12 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2wat h TYR 1798Cb 0.42 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 2wat h TYR 1798CO 0.03 -0.33 0.52 0.00 -1.64 0.00 0.00 178.16 176.75 2wat h SER 1800N 1.21 0.00 -0.02 0.00 0.02 -1.13 -2.56 113.55 111.07 2wat h SER 1800Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2wat h SER 1800Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2wat h SER 1800CO -0.06 0.00 -0.17 0.00 -1.14 0.00 0.00 176.83 175.46 2wat n ALA 1801N -1.95 2.85 -1.96 3.77 0.00 -0.53 -4.93 120.51 117.75 2wat n ALA 1801Ca -0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 53.44 52.47 2wat n ALA 1801Cb 0.17 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.08 3.43 0.20 0.00 -1.52 -0.96 -4.99 119.66 113.75 2wat s GLN 1802Ca 0.23 0.56 -0.10 0.00 -1.95 0.00 0.00 55.36 54.10 2wat s GLN 1802Cb 0.18 -2.14 0.20 0.00 -0.22 0.00 0.00 33.01 31.04 2wat s GLN 1802CO 0.38 -0.58 1.81 -1.35 -0.25 0.00 0.00 175.29 175.30 2wat h PRO 1803N -0.26 0.67 -4.63 2.91 0.11 -1.94 -3.32 132.00 125.54 2wat h PRO 1803Ca -0.45 -0.04 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 2wat h PRO 1803Cb 1.21 -0.15 -0.36 0.00 0.11 0.00 0.00 31.00 31.81 2wat h PRO 1803CO 0.62 0.44 -0.64 0.45 -0.21 0.00 0.00 178.00 178.66 2wat s SER 1804N -5.61 5.00 0.10 -2.05 0.15 -1.26 -5.00 113.70 105.03 2wat s SER 1804Ca -0.13 -1.86 -0.16 0.00 0.70 0.00 0.00 55.95 54.50 2wat s SER 1804Cb 0.15 -1.73 -0.06 0.00 -1.71 0.00 0.00 66.02 62.67 2wat s SER 1804CO 0.76 -0.42 1.52 0.58 1.20 0.00 0.00 173.24 176.89 2wat h VAL 1805N 6.47 1.27 -0.64 4.45 2.07 -1.78 -1.68 116.25 126.42 2wat h VAL 1805Ca -0.13 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2wat h VAL 1805Cb 1.04 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 2wat h VAL 1805CO 0.60 0.34 0.28 -0.61 0.02 0.00 0.00 177.57 178.19 2wat h GLN 1806N 0.38 0.94 -0.65 1.57 4.15 -1.94 -1.64 115.11 117.93 2wat h GLN 1806Ca 0.09 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 2wat h GLN 1806Cb 0.50 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2wat h GLN 1806CO 0.02 0.78 0.14 1.03 -1.93 0.00 0.00 178.83 178.87 2wat h SER 1807N 0.89 0.99 -0.28 -0.69 0.87 -1.84 -1.45 113.55 112.04 2wat h SER 1807Ca 0.22 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2wat h SER 1807Cb 0.17 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2wat h SER 1807CO -0.02 0.96 0.00 -1.28 -0.53 0.00 0.00 176.83 175.96 2wat h SER 1808N 0.99 0.49 -0.82 6.23 0.87 -0.88 -0.51 113.55 119.91 2wat h SER 1808Ca 0.20 -0.30 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2wat h SER 1808Cb 0.38 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2wat h SER 1808CO 0.00 0.67 0.54 -0.26 -0.53 0.00 0.00 176.83 177.26 2wat h PHE 1809N 0.29 1.02 -0.75 2.24 0.04 -1.21 -0.96 116.94 117.61 2wat h PHE 1809Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2wat h PHE 1809Cb 0.42 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 2wat h PHE 1809CO 0.03 0.62 0.39 0.00 -0.60 0.00 0.00 178.31 178.76 2wat h ALA 1810N 1.32 0.96 -0.56 2.45 0.00 -0.92 0.10 119.26 122.61 2wat h ALA 1810Ca 0.31 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2wat h ALA 1810Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2wat h ALA 1810CO -0.08 0.49 0.04 0.78 0.00 0.00 0.00 179.25 180.48 2wat h GLY 1811N 1.04 1.03 1.09 0.00 0.00 -0.68 -1.02 103.07 104.53 2wat h GLY 1811Ca 0.26 -0.72 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2wat h GLY 1811CO -0.04 0.67 -0.02 -0.84 0.00 0.00 0.00 176.54 176.31 2wat h THR 1812N 0.84 1.27 -0.42 4.70 2.02 -0.85 -1.06 112.91 119.40 2wat h THR 1812Ca 0.16 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 2wat h THR 1812Cb 0.48 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2wat h THR 1812CO 0.02 0.43 0.26 -0.25 0.37 0.00 0.00 175.52 176.35 2wat h TRP 1813N 0.98 0.55 -0.93 3.16 2.91 -0.64 -1.48 115.95 120.50 2wat h TRP 1813Ca 0.17 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.24 2wat h TRP 1813Cb 0.59 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.99 2wat h TRP 1813CO 0.04 0.38 0.60 0.77 -1.03 0.00 0.00 178.44 179.20 2wat h SER 1814N 0.56 0.97 -0.57 2.65 0.02 -0.96 -2.02 113.55 114.21 2wat h SER 1814Ca 0.15 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2wat h SER 1814Cb -0.02 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2wat h SER 1814CO -0.03 0.64 0.19 0.00 -1.14 0.00 0.00 176.83 176.49 2wat h ALA 1815N 1.41 0.74 -0.50 3.77 0.00 -0.82 0.68 119.26 124.55 2wat h ALA 1815Ca 0.39 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2wat h ALA 1815Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2wat h ALA 1815CO -0.15 0.40 0.29 0.87 0.00 0.00 0.00 179.25 180.66 2wat h LYS 1816N 0.80 0.56 -0.45 0.00 1.57 -0.88 -0.19 116.57 117.97 2wat h LYS 1816Ca 0.19 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2wat h LYS 1816Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2wat h LYS 1816CO -0.01 0.37 -0.03 0.93 -0.57 0.00 0.00 179.45 180.14 2wat h GLU 1817N 0.58 0.83 -0.25 3.15 4.39 -1.06 -1.30 114.58 120.92 2wat h GLU 1817Ca 0.20 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2wat h GLU 1817Cb 0.04 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2wat h GLU 1817CO -0.10 0.90 0.12 0.00 -1.16 0.00 0.00 179.01 178.76 2wat h ALA 1818N 0.90 0.32 -0.59 3.43 0.00 -0.64 -1.48 119.26 121.21 2wat h ALA 1818Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2wat h ALA 1818Cb 0.55 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2wat h ALA 1818CO 0.03 -0.11 0.32 0.28 0.00 0.00 0.00 179.25 179.77 2wat h VAL 1819N 0.27 0.98 -0.62 0.00 2.07 -0.95 -2.22 116.25 115.78 2wat h VAL 1819Ca 0.09 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2wat h VAL 1819Cb 0.13 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 2wat h VAL 1819CO -0.01 0.11 0.36 0.15 0.02 0.00 0.00 177.57 178.20 2wat h PHE 1820N 0.61 0.68 0.00 1.57 3.57 -0.84 -2.23 116.94 120.30 2wat h PHE 1820Ca 0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 2wat h PHE 1820Cb 0.14 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2wat h PHE 1820CO -0.09 0.36 -0.19 0.87 -2.23 0.00 0.00 178.31 177.03 2wat h LYS 1821N 0.70 0.00 0.00 1.11 1.57 -0.76 -2.41 116.57 116.78 2wat h LYS 1821Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2wat h LYS 1821Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wat h LYS 1821CO -0.13 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 2wat h SER 1822N 0.00 0.00 0.66 0.86 4.64 -0.83 -3.27 113.55 115.61 2wat h SER 1822Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2wat h SER 1822Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2wat h SER 1822CO 0.03 0.00 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.32 2wat h LEU 1823N 0.00 0.00 -1.82 5.97 3.38 -1.27 -3.36 115.31 118.21 2wat h LEU 1823Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2wat h LEU 1823Cb 0.77 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.60 2wat h LEU 1823CO 0.00 0.60 -0.36 0.61 0.09 0.00 0.00 178.44 179.38 2wat n GLY 1824N 0.28 0.07 3.36 0.83 0.00 -1.24 -4.92 105.19 103.58 2wat n GLY 1824Ca -0.01 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 2wat n GLY 1824CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wat n VAL 1825N -2.49 0.00 -3.28 1.61 0.24 -1.26 -5.01 118.33 108.14 2wat n VAL 1825Ca -0.13 -2.38 -0.38 0.00 -2.04 0.00 0.00 64.34 59.40 2wat n VAL 1825Cb 0.58 0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 2wat n VAL 1825CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wat s LYS 1826N -3.56 4.17 0.29 7.34 2.20 -1.26 -5.05 119.74 123.87 2wat s LYS 1826Ca 0.20 0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 2wat s LYS 1826Cb 0.01 -3.17 -0.10 0.00 -1.51 0.00 0.00 37.83 33.06 2wat s LYS 1826CO 0.14 0.60 1.13 0.45 -0.36 0.00 0.00 175.35 177.31 2wat s SER 1827N -1.24 7.19 0.00 1.43 0.15 -1.26 -4.94 113.70 115.03 2wat s SER 1827Ca 0.31 2.32 0.30 0.00 0.70 0.00 0.00 55.95 59.58 2wat s SER 1827Cb -0.19 -2.63 1.45 0.00 -1.71 0.00 0.00 66.02 62.95 2wat s SER 1827CO 0.19 -0.20 2.00 0.18 1.20 0.00 0.00 173.24 176.60 2wat n LEU 1828N 1.10 0.22 0.00 3.45 4.77 -1.26 -4.99 117.00 120.30 2wat n LEU 1828Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2wat n LEU 1828Cb 0.44 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2wat n LEU 1828CO 0.54 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2wat n GLY 1829N 1.24 3.87 0.38 -0.72 0.00 -1.26 -4.75 105.19 103.95 2wat n GLY 1829Ca 0.16 -1.60 0.20 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.10 -0.02 0.00 -2.05 -1.84 103.07 97.06 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 -1.49 1.47 3.75 4.60 0.00 -1.26 -4.98 105.19 107.28 2wat n GLY 1831Ca 0.07 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.57 3.47 0.55 4.61 0.00 -0.69 -4.98 121.76 123.15 2wat s ALA 1832Ca 0.34 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 2wat s ALA 1832Cb 0.21 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 2wat s ALA 1832CO 0.30 -0.44 1.20 0.00 0.00 0.00 0.00 175.76 176.82 2wat s ALA 1833N -0.52 2.70 -0.24 0.00 0.00 -1.26 -4.95 121.76 117.49 2wat s ALA 1833Ca 0.51 1.00 0.13 0.00 0.00 0.00 0.00 51.96 53.60 2wat s ALA 1833Cb -0.35 -3.43 0.63 0.00 0.00 0.00 0.00 23.12 19.96 2wat s ALA 1833CO 0.42 -1.01 1.58 1.28 0.00 0.00 0.00 175.76 178.04 2wat n LEU 1834N -1.24 4.80 0.26 0.00 4.77 -1.26 -4.58 117.00 119.75 2wat n LEU 1834Ca 0.12 -3.17 0.10 0.00 -0.03 0.00 0.00 56.01 53.03 2wat n LEU 1834Cb 0.49 -0.63 0.69 0.00 -2.33 0.00 0.00 43.42 41.63 2wat n LEU 1834CO 0.46 0.78 1.01 0.50 -1.33 0.00 0.00 177.39 178.81 2wat h LYS 1835N 2.24 0.00 0.00 3.23 3.64 -1.70 -2.37 116.57 121.61 2wat h LYS 1835Ca 0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2wat h LYS 1835Cb 1.80 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.62 2wat h LYS 1835CO 0.43 0.09 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.21 2wat h ASP 1836N 0.00 0.00 -3.28 4.20 3.32 -1.87 -3.38 116.42 115.41 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 0.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.49 2wat h ASP 1836CO 0.01 0.04 -0.33 -0.63 -1.72 0.00 0.00 179.24 176.62 2wat s ILE 1837N -3.88 5.09 -0.17 0.35 1.01 -0.89 -0.54 121.20 122.16 2wat s ILE 1837Ca -0.01 -1.20 -0.06 0.00 0.00 0.00 0.00 60.65 59.37 2wat s ILE 1837Cb 0.11 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2wat s ILE 1837CO 0.53 -0.63 0.05 -0.70 0.00 0.00 0.00 174.94 174.18 2wat s GLU 1838N 1.60 3.84 -0.31 2.79 2.12 0.24 -4.86 118.70 124.13 2wat s GLU 1838Ca 0.04 -0.37 -0.17 0.00 0.36 0.00 0.00 54.97 54.84 2wat s GLU 1838Cb -0.25 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 2wat s GLU 1838CO 0.05 0.32 0.44 0.42 -0.54 0.00 0.00 175.26 175.96 2wat s ILE 1839N 0.21 5.10 0.34 -3.70 -1.09 -1.26 -0.23 121.20 120.57 2wat s ILE 1839Ca 0.03 0.46 0.09 0.00 -2.23 0.00 0.00 60.65 58.99 2wat s ILE 1839Cb -0.12 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 2wat s ILE 1839CO 0.01 -0.02 0.08 0.68 -1.23 0.00 0.00 174.94 174.45 2wat s VAL 1840N 2.21 2.84 0.02 2.92 -7.23 0.16 -4.70 120.40 116.62 2wat s VAL 1840Ca 0.17 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2wat s VAL 1840Cb -0.16 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 2wat s VAL 1840CO 0.11 -0.19 0.01 -0.13 -0.31 0.00 0.00 175.10 174.59 2wat s ARG 1841N -3.78 2.76 0.00 4.82 1.81 -1.26 0.17 118.95 123.47 2wat s ARG 1841Ca 0.36 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.71 2wat s ARG 1841Cb -0.01 -2.66 0.00 0.00 -0.45 0.00 0.00 34.95 31.83 2wat s ARG 1841CO 0.21 0.60 0.00 0.28 -0.68 0.00 0.00 175.30 175.71 2wat n VAL 1842N 1.13 0.00 -0.55 3.52 0.31 0.77 -4.71 118.33 118.79 2wat n VAL 1842Ca -0.13 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.03 2wat n VAL 1842Cb 0.52 -0.17 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 2wat n VAL 1842CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2wat n ASN 1843N 0.00 3.66 0.00 4.52 3.02 -1.26 -4.64 115.26 120.56 2wat n ASN 1843Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 2wat n ASN 1843Cb 0.00 -0.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 2wat n ASN 1843CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2wat n LYS 1844N 4.44 0.00 -0.00 3.52 3.00 -1.26 -4.12 118.16 123.73 2wat n LYS 1844Ca 0.33 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.67 2wat n LYS 1844Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.10 2wat n LYS 1844CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2wat n ASN 1845N 1.59 1.22 -4.73 3.14 3.02 -1.26 -4.77 115.26 113.47 2wat n ASN 1845Ca 0.00 -0.45 -0.41 0.00 -0.03 0.00 0.00 54.58 53.69 2wat n ASN 1845Cb 0.00 1.06 -0.04 0.00 -0.61 0.00 0.00 39.78 40.20 2wat n ASN 1845CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wat s ALA 1846N -1.72 3.34 0.02 5.41 0.00 -1.26 -4.87 121.76 122.68 2wat s ALA 1846Ca 0.01 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 2wat s ALA 1846Cb 0.04 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2wat s ALA 1846CO 0.21 -0.23 0.95 -1.25 0.00 0.00 0.00 175.76 175.44 2wat s PRO 1847N 0.08 4.58 0.32 0.00 0.04 -1.26 -0.16 135.00 138.59 2wat s PRO 1847Ca 0.51 1.38 0.10 0.00 0.04 0.00 0.00 61.00 63.03 2wat s PRO 1847Cb -0.28 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.77 2wat s PRO 1847CO 0.32 0.03 -0.13 0.00 0.04 0.00 0.00 177.00 177.26 2wat s ALA 1848N 0.74 2.84 -0.09 8.56 0.00 0.46 -4.51 121.76 129.75 2wat s ALA 1848Ca 0.49 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2wat s ALA 1848Cb -0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2wat s ALA 1848CO 0.28 0.14 -0.10 0.08 0.00 0.00 0.00 175.76 176.15 2wat s VAL 1849N -2.61 3.38 -0.10 0.00 1.01 -1.26 0.37 120.40 121.20 2wat s VAL 1849Ca 0.31 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2wat s VAL 1849Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 34.01 2wat s VAL 1849CO 0.16 0.56 -0.05 -1.61 0.00 0.00 0.00 175.10 174.16 2wat s GLU 1850N -0.34 1.23 -0.03 2.72 2.02 0.68 -4.91 118.70 120.07 2wat s GLU 1850Ca 0.04 -0.14 -0.14 0.00 0.02 0.00 0.00 54.97 54.75 2wat s GLU 1850Cb -0.13 -1.38 -0.05 0.00 0.10 0.00 0.00 34.13 32.67 2wat s GLU 1850CO 0.02 -0.27 0.37 -0.51 0.02 0.00 0.00 175.26 174.89 2wat s LEU 1851N 1.77 4.44 0.32 1.80 1.43 -1.26 -0.59 118.68 126.59 2wat s LEU 1851Ca 0.05 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 2wat s LEU 1851Cb -0.12 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 2wat s LEU 1851CO -0.07 0.31 0.08 -1.00 0.23 0.00 0.00 176.35 175.90 2wat s HIS 1852N -0.92 1.80 0.00 0.29 3.76 0.30 -4.60 115.29 115.92 2wat s HIS 1852Ca 0.22 -1.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.05 2wat s HIS 1852Cb -0.16 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.39 2wat s HIS 1852CO 0.12 -0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 2wat n GLY 1853N -0.65 3.02 0.24 -2.22 0.00 -1.26 -1.82 105.19 102.50 2wat n GLY 1853Ca -0.02 0.03 -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 0.49 -0.66 1.61 2.35 -1.98 -2.41 115.58 114.97 2wat h ASN 1854Ca 0.00 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2wat h ASN 1854Cb 0.00 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2wat h ASN 1854CO 0.00 0.71 0.33 0.00 -1.65 0.00 0.00 177.43 176.82 2wat h ALA 1855N 1.33 0.85 -0.06 -0.83 0.00 -1.68 0.62 119.26 119.50 2wat h ALA 1855Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wat h ALA 1855Cb 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2wat h ALA 1855CO 0.04 0.40 0.02 -0.22 0.00 0.00 0.00 179.25 179.50 2wat h LYS 1856N 0.91 0.09 0.14 0.00 3.64 -1.10 -0.53 116.57 119.72 2wat h LYS 1856Ca 0.23 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 2wat h LYS 1856Cb 0.10 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2wat h LYS 1856CO -0.03 0.22 -0.19 0.87 -2.27 0.00 0.00 179.45 178.05 2wat h LYS 1857N -0.07 -0.37 -0.89 1.90 1.57 -1.28 -0.09 116.57 117.34 2wat h LYS 1857Ca 0.02 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 2wat h LYS 1857Cb 0.17 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 2wat h LYS 1857CO -0.00 -0.25 0.56 0.00 -0.57 0.00 0.00 179.45 179.19 2wat h ALA 1858N 0.41 1.20 -0.04 3.86 0.00 -0.83 0.13 119.26 124.00 2wat h ALA 1858Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wat h ALA 1858Cb 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wat h ALA 1858CO -0.08 0.36 0.01 0.00 0.00 0.00 0.00 179.25 179.53 2wat h ALA 1859N 1.39 0.05 -0.88 0.00 0.00 -0.85 -1.58 119.26 117.40 2wat h ALA 1859Ca 0.37 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2wat h ALA 1859Cb 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2wat h ALA 1859CO -0.15 -0.32 0.57 0.93 0.00 0.00 0.00 179.25 180.28 2wat h GLU 1860N -0.18 1.12 0.00 0.00 5.08 -0.68 -0.10 114.58 119.82 2wat h GLU 1860Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2wat h GLU 1860Cb 0.25 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wat h GLU 1860CO 0.00 0.74 -0.04 1.49 -1.00 0.00 0.00 179.01 180.20 2wat h GLU 1861N 1.15 0.00 -0.01 2.33 4.81 -0.61 -0.91 114.58 121.33 2wat h GLU 1861Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2wat h GLU 1861Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2wat h GLU 1861CO -0.09 0.04 -0.22 0.00 -0.73 0.00 0.00 179.01 178.01 2wat n ALA 1862N -2.35 3.01 -0.92 2.92 0.00 -0.17 -4.94 120.51 118.06 2wat n ALA 1862Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2wat n ALA 1862Cb 0.13 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.32 0.52 3.69 0.00 0.00 -0.35 -5.01 105.19 105.37 2wat n GLY 1863Ca 0.13 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.23 1.61 1.01 -0.48 -4.31 120.40 119.33 2wat s VAL 1864Ca 0.00 0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.86 2wat s VAL 1864Cb 0.00 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.71 2wat s VAL 1864CO 0.00 -0.00 0.40 0.35 0.00 0.00 0.00 175.10 175.85 2wat n THR 1865N 4.70 0.00 -3.54 3.92 -2.24 0.19 -4.46 114.28 112.85 2wat n THR 1865Ca 0.15 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2wat n THR 1865Cb 0.42 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 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 -3.19 -0.54 -0.03 3.42 2.15 -1.15 -4.99 116.67 112.34 2wat s ASP 1866Ca -0.02 0.57 0.01 0.00 0.43 0.00 0.00 52.55 53.54 2wat s ASP 1866Cb 0.09 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 2wat s ASP 1866CO 0.58 -0.50 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.38 2wat s VAL 1867N -1.21 0.26 0.05 1.11 1.01 -1.26 -0.85 120.40 119.51 2wat s VAL 1867Ca -0.07 0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2wat s VAL 1867Cb -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2wat s VAL 1867CO 0.06 0.16 -0.05 -0.54 0.00 0.00 0.00 175.10 174.73 2wat s LYS 1868N 0.96 2.48 0.03 2.72 -0.14 -0.08 -4.31 119.74 121.41 2wat s LYS 1868Ca -0.10 -0.80 -0.01 0.00 -1.36 0.00 0.00 55.97 53.69 2wat s LYS 1868Cb -0.14 -2.48 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 2wat s LYS 1868CO -0.01 0.57 -0.01 0.54 -0.76 0.00 0.00 175.35 175.68 2wat s VAL 1869N -1.13 0.15 0.03 3.17 0.11 -1.26 -0.99 120.40 120.48 2wat s VAL 1869Ca 0.20 -1.21 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2wat s VAL 1869Cb -0.11 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2wat s VAL 1869CO 0.12 -0.67 -0.05 -0.55 -3.33 0.00 0.00 175.10 170.62 2wat s SER 1870N -2.00 0.52 0.06 3.54 0.15 -0.25 -4.71 113.70 111.01 2wat s SER 1870Ca -0.07 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.19 2wat s SER 1870Cb -0.03 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 2wat s SER 1870CO -0.04 -0.20 -0.16 -0.63 1.20 0.00 0.00 173.24 173.40 2wat s ILE 1871N -1.19 1.30 0.05 6.45 1.01 -1.26 -1.58 121.20 125.98 2wat s ILE 1871Ca -0.10 -1.22 -0.17 0.00 0.00 0.00 0.00 60.65 59.16 2wat s ILE 1871Cb -0.08 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.23 2wat s ILE 1871CO -0.00 -0.05 0.38 -0.55 0.00 0.00 0.00 174.94 174.72 2wat s SER 1872N -1.47 -0.23 0.05 3.58 0.15 -0.53 -5.02 113.70 110.22 2wat s SER 1872Ca 0.02 -0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.52 2wat s SER 1872Cb -0.09 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2wat s SER 1872CO 0.02 -0.67 0.12 -1.38 1.20 0.00 0.00 173.24 172.52 2wat s HIS 1873N -2.66 0.20 0.36 3.44 -3.43 -1.26 -1.08 115.29 110.87 2wat s HIS 1873Ca -0.04 -0.55 -0.04 0.00 -0.80 0.00 0.00 55.06 53.63 2wat s HIS 1873Cb -0.00 -0.14 0.01 0.00 -1.43 0.00 0.00 32.58 31.02 2wat s HIS 1873CO -0.04 -0.41 0.52 0.16 -2.00 0.00 0.00 174.74 172.97 2wat s ASP 1874N -2.36 0.87 0.45 7.38 1.47 -0.72 -5.00 116.67 118.75 2wat s ASP 1874Ca -0.02 -1.47 0.21 0.00 1.18 0.00 0.00 52.55 52.45 2wat s ASP 1874Cb 0.01 0.70 1.18 0.00 -0.34 0.00 0.00 42.92 44.47 2wat s ASP 1874CO -0.06 -1.36 1.86 0.44 0.68 0.00 0.00 175.17 176.72 2wat h ASP 1875N 2.08 0.31 -0.12 2.11 3.32 -2.02 -1.55 116.42 120.55 2wat h ASP 1875Ca -0.29 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 2wat h ASP 1875Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2wat h ASP 1875CO 0.39 0.12 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.56 2wat h LEU 1876N 0.30 0.55 -7.31 1.55 3.38 -1.97 -3.45 115.31 108.37 2wat h LEU 1876Ca 0.46 -0.61 0.27 0.00 0.09 0.00 0.00 57.88 58.09 2wat h LEU 1876Cb 1.30 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 2wat h LEU 1876CO -0.14 1.06 0.71 0.00 0.09 0.00 0.00 178.44 180.16 2wat s GLN 1877N -3.80 0.63 0.18 1.13 0.00 -0.58 -4.36 119.66 112.85 2wat s GLN 1877Ca -0.13 -0.33 -0.02 0.00 -0.00 0.00 0.00 55.36 54.88 2wat s GLN 1877Cb 0.05 0.22 -0.05 0.00 0.00 0.00 0.00 33.01 33.24 2wat s GLN 1877CO 0.80 -0.29 0.38 0.00 0.00 0.00 0.00 175.29 176.19 2wat s ALA 1878N -2.70 3.83 -0.03 2.60 0.00 0.14 -1.75 121.76 123.84 2wat s ALA 1878Ca 0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 2wat s ALA 1878Cb 0.02 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.14 2wat s ALA 1878CO -0.03 0.51 0.21 0.54 0.00 0.00 0.00 175.76 177.00 2wat s VAL 1879N -1.80 0.05 0.02 0.00 0.11 -0.24 -0.23 120.40 118.31 2wat s VAL 1879Ca 0.39 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2wat s VAL 1879Cb -0.11 -0.43 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2wat s VAL 1879CO 0.28 -0.21 -0.04 0.00 -3.33 0.00 0.00 175.10 171.80 2wat s ALA 1880N -0.82 0.21 -0.05 1.54 0.00 -0.43 -1.46 121.76 120.76 2wat s ALA 1880Ca -0.09 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2wat s ALA 1880Cb -0.05 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2wat s ALA 1880CO 0.02 -0.12 -0.10 0.08 0.00 0.00 0.00 175.76 175.65 2wat s VAL 1881N -1.33 0.91 0.11 0.00 1.01 -0.61 -1.76 120.40 118.72 2wat s VAL 1881Ca -0.13 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.59 2wat s VAL 1881Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2wat s VAL 1881CO -0.01 0.30 -0.27 0.00 0.00 0.00 0.00 175.10 175.13 2wat s ALA 1882N 0.63 2.32 -0.03 5.51 0.00 0.13 -1.09 121.76 129.23 2wat s ALA 1882Ca -0.12 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2wat s ALA 1882Cb -0.14 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2wat s ALA 1882CO 0.02 0.53 -0.07 0.14 0.00 0.00 0.00 175.76 176.38 2wat s VAL 1883N -0.99 0.65 0.15 0.00 -7.23 -0.16 -0.70 120.40 112.12 2wat s VAL 1883Ca 0.13 -0.26 0.08 0.00 -1.81 0.00 0.00 61.98 60.13 2wat s VAL 1883Cb -0.10 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 2wat s VAL 1883CO 0.05 0.22 -0.11 -0.94 -0.31 0.00 0.00 175.10 174.02 2wat s SER 1884N 0.42 4.25 0.02 4.85 1.04 -0.44 -0.91 113.70 122.94 2wat s SER 1884Ca -0.06 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 55.92 2wat s SER 1884Cb -0.10 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 2wat s SER 1884CO 0.00 0.13 -0.24 -0.89 0.98 0.00 0.00 173.24 173.23 2wat s THR 1885N -1.52 1.89 -0.49 2.02 2.01 -0.03 -2.50 115.64 117.02 2wat s THR 1885Ca 0.23 -1.20 0.04 0.00 0.31 0.00 0.00 61.69 61.07 2wat s THR 1885Cb -0.10 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.84 2wat s THR 1885CO 0.14 0.37 0.62 0.29 -0.69 0.00 0.00 174.62 175.35