#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qg1 s THR 1723N 0.00 0.93 -0.01 5.18 2.01 -1.26 -0.30 115.64 122.19 2qg1 s THR 1723Ca 0.00 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 2qg1 s THR 1723Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.71 2qg1 s THR 1723CO 0.00 0.19 0.11 -0.76 -0.69 0.00 0.00 174.62 173.47 2qg1 s LEU 1724N -0.48 1.63 -0.10 4.42 1.43 -0.49 -4.99 118.68 120.09 2qg1 s LEU 1724Ca 0.03 -0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.95 2qg1 s LEU 1724Cb -0.05 0.51 -0.05 0.00 0.03 0.00 0.00 46.19 46.63 2qg1 s LEU 1724CO -0.00 -0.24 0.24 0.28 0.23 0.00 0.00 176.35 176.85 2qg1 s THR 1725N -0.87 5.34 -0.05 5.49 -1.32 -1.26 -1.17 115.64 121.80 2qg1 s THR 1725Ca -0.10 0.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.82 2qg1 s THR 1725Cb -0.06 -3.53 0.02 0.00 -1.51 0.00 0.00 72.50 67.43 2qg1 s THR 1725CO 0.01 0.56 -0.04 -0.63 -2.21 0.00 0.00 174.62 172.30 2qg1 s ILE 1726N -0.68 0.52 -0.26 5.08 1.01 0.86 -4.99 121.20 122.75 2qg1 s ILE 1726Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2qg1 s ILE 1726Cb -0.13 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.80 2qg1 s ILE 1726CO 0.06 0.23 -0.01 -0.83 0.00 0.00 0.00 174.94 174.38 2qg1 s GLY 1727N 0.98 1.68 -0.15 6.18 0.00 -1.26 -0.10 107.32 114.65 2qg1 s GLY 1727Ca -0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 44.72 43.17 2qg1 s GLY 1727CO -0.00 0.55 -0.07 1.08 0.00 0.00 0.00 173.10 174.66 2qg1 s LEU 1728N 1.40 3.04 -0.51 0.66 1.43 -0.18 -4.93 118.68 119.60 2qg1 s LEU 1728Ca 0.02 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 2qg1 s LEU 1728Cb -0.17 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2qg1 s LEU 1728CO -0.02 0.15 0.90 -1.10 0.23 0.00 0.00 176.35 176.50 2qg1 s GLN 1729N 0.48 3.38 0.17 1.70 -1.52 -1.26 -0.59 119.66 122.02 2qg1 s GLN 1729Ca -0.05 -0.16 -0.30 0.00 -1.95 0.00 0.00 55.36 52.90 2qg1 s GLN 1729Cb -0.15 -4.00 -0.08 0.00 -0.22 0.00 0.00 33.01 28.56 2qg1 s GLN 1729CO 0.03 -1.35 1.15 0.21 -0.25 0.00 0.00 175.29 175.08 2qg1 s LYS 1730N 3.73 4.54 -0.00 2.91 2.20 -0.25 -4.99 119.74 127.87 2qg1 s LYS 1730Ca 0.31 1.78 0.06 0.00 -0.36 0.00 0.00 55.97 57.76 2qg1 s LYS 1730Cb -0.12 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 2qg1 s LYS 1730CO 0.21 -0.02 -0.18 0.15 -0.36 0.00 0.00 175.35 175.15 2qg1 s LYS 1731N -0.19 2.24 0.41 4.03 1.02 -1.26 -4.19 119.74 121.80 2qg1 s LYS 1731Ca 0.51 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.38 2qg1 s LYS 1731Cb -0.31 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.67 2qg1 s LYS 1731CO 0.35 0.58 1.35 -2.30 -0.92 0.00 0.00 175.35 174.41 2qg1 n PRO 1732N 2.00 2.16 -0.96 -1.68 -0.02 -1.26 -2.83 135.00 132.41 2qg1 n PRO 1732Ca -0.16 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2qg1 n PRO 1732Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2qg1 n PRO 1732CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qg1 n GLY 1733N 0.69 1.01 3.09 -1.23 0.00 -1.26 -5.00 105.19 102.49 2qg1 n GLY 1733Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2qg1 n GLY 1733CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qg1 s LYS 1734N -0.03 0.62 0.75 1.61 -2.85 -1.13 -5.17 119.74 113.55 2qg1 s LYS 1734Ca 0.00 -1.06 -0.03 0.00 -1.00 0.00 0.00 55.97 53.88 2qg1 s LYS 1734Cb 0.00 -0.06 0.14 0.00 -2.06 0.00 0.00 37.83 35.85 2qg1 s LYS 1734CO 0.00 -0.03 1.04 0.20 0.10 0.00 0.00 175.35 176.65 2qg1 s GLY 1735N -2.43 1.76 0.23 0.59 0.00 -1.26 -4.53 107.32 101.68 2qg1 s GLY 1735Ca 0.01 -1.65 0.23 0.00 0.00 0.00 0.00 44.72 43.31 2qg1 s GLY 1735CO -0.04 -1.06 1.70 1.04 0.00 0.00 0.00 173.10 174.74 2qg1 n LEU 1736N -2.96 0.63 -0.52 0.66 4.77 -1.26 -4.61 117.00 113.70 2qg1 n LEU 1736Ca 0.15 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 2qg1 n LEU 1736Cb 0.60 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2qg1 n LEU 1736CO 0.43 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 2qg1 n GLY 1737N 0.17 0.93 3.27 -0.72 0.00 -1.26 -1.04 105.19 106.54 2qg1 n GLY 1737Ca 0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2qg1 n GLY 1737CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qg1 s LEU 1738N -1.05 0.81 0.26 0.99 0.05 -1.26 -1.18 118.68 117.30 2qg1 s LEU 1738Ca 0.00 -0.35 0.11 0.00 0.05 0.00 0.00 54.13 53.94 2qg1 s LEU 1738Cb 0.00 1.48 -0.05 0.00 -2.05 0.00 0.00 46.19 45.58 2qg1 s LEU 1738CO 0.00 -0.74 -0.13 -0.94 -0.55 0.00 0.00 176.35 174.00 2qg1 s SER 1739N -2.55 3.97 0.09 1.48 1.04 0.01 -4.96 113.70 112.77 2qg1 s SER 1739Ca 0.01 -0.86 0.05 0.00 0.48 0.00 0.00 55.95 55.63 2qg1 s SER 1739Cb 0.02 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.58 2qg1 s SER 1739CO -0.09 0.03 -0.13 0.27 0.98 0.00 0.00 173.24 174.31 2qg1 s ILE 1740N -2.35 1.09 -0.02 -1.02 -4.36 -1.26 -0.58 121.20 112.70 2qg1 s ILE 1740Ca 0.30 -1.50 -0.18 0.00 -0.26 0.00 0.00 60.65 59.01 2qg1 s ILE 1740Cb -0.06 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.43 2qg1 s ILE 1740CO 0.16 -0.38 0.38 0.54 0.24 0.00 0.00 174.94 175.88 2qg1 s VAL 1741N -1.86 0.05 0.92 8.37 0.11 0.06 -4.85 120.40 123.21 2qg1 s VAL 1741Ca 0.03 -0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 58.54 2qg1 s VAL 1741Cb -0.07 -0.70 0.16 0.00 -1.53 0.00 0.00 36.38 34.24 2qg1 s VAL 1741CO 0.02 -0.22 1.25 -0.83 -3.33 0.00 0.00 175.10 171.99 2qg1 s GLY 1742N -1.34 1.69 0.13 6.54 0.00 -1.26 -0.62 107.32 112.46 2qg1 s GLY 1742Ca -0.13 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 43.72 2qg1 s GLY 1742CO 0.05 -0.29 -0.19 0.54 0.00 0.00 0.00 173.10 173.22 2qg1 s LYS 1743N -5.72 1.15 0.24 2.90 1.02 -1.25 -4.90 119.74 113.18 2qg1 s LYS 1743Ca 0.69 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 55.46 2qg1 s LYS 1743Cb -0.07 -1.27 0.27 0.00 -0.52 0.00 0.00 37.83 36.24 2qg1 s LYS 1743CO 0.52 0.27 1.58 -0.09 -0.92 0.00 0.00 175.35 176.71 2qg1 h ARG 1744N 3.69 0.26 -0.13 1.68 9.65 -2.00 -3.35 114.38 124.18 2qg1 h ARG 1744Ca -0.43 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 2qg1 h ARG 1744Cb 1.19 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2qg1 h ARG 1744CO 0.46 0.76 0.00 0.09 2.80 0.00 0.00 179.97 184.07 2qg1 n ASN 1745N -3.90 2.37 -3.82 -3.80 5.03 -1.26 -4.98 115.26 104.89 2qg1 n ASN 1745Ca -0.02 -2.02 -0.12 0.00 0.87 0.00 0.00 54.58 53.28 2qg1 n ASN 1745Cb 0.59 -0.10 -0.11 0.00 -1.02 0.00 0.00 39.78 39.15 2qg1 n ASN 1745CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qg1 s ASP 1746N -1.04 -0.13 0.76 6.41 1.01 -1.26 -5.16 116.67 117.27 2qg1 s ASP 1746Ca 0.09 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 53.43 2qg1 s ASP 1746Cb 0.05 0.34 0.05 0.00 1.01 0.00 0.00 42.92 44.36 2qg1 s ASP 1746CO 0.06 -0.19 1.09 0.28 0.21 0.00 0.00 175.17 176.61 2qg1 s THR 1747N -0.47 3.39 0.00 -1.27 -1.32 -1.26 -3.95 115.64 110.75 2qg1 s THR 1747Ca -0.06 0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 2qg1 s THR 1747Cb -0.04 -3.22 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 2qg1 s THR 1747CO 0.01 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.44 2qg1 n GLY 1748N -2.16 -3.26 2.98 6.08 0.00 -1.17 -4.92 105.19 102.75 2qg1 n GLY 1748Ca 0.07 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 43.86 2qg1 n GLY 1748CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qg1 s VAL 1749N -0.60 0.54 0.04 1.61 1.01 -1.26 -4.23 120.40 117.51 2qg1 s VAL 1749Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2qg1 s VAL 1749Cb 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2qg1 s VAL 1749CO 0.00 0.16 -0.10 -0.36 0.00 0.00 0.00 175.10 174.80 2qg1 s PHE 1750N -0.13 0.86 -0.06 5.22 0.08 0.21 -1.18 117.98 122.99 2qg1 s PHE 1750Ca 0.02 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 2qg1 s PHE 1750Cb -0.03 -0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 2qg1 s PHE 1750CO -0.00 -0.02 1.49 0.08 -0.10 0.00 0.00 175.22 176.67 2qg1 s VAL 1751N -1.10 3.76 -0.26 -0.44 1.01 0.96 -0.76 120.40 123.57 2qg1 s VAL 1751Ca -0.05 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.93 2qg1 s VAL 1751Cb -0.09 -3.65 -0.16 0.00 0.00 0.00 0.00 36.38 32.48 2qg1 s VAL 1751CO 0.01 -0.06 -0.24 -0.24 0.00 0.00 0.00 175.10 174.56 2qg1 n SER 1752N 6.50 1.98 -3.87 3.32 2.88 0.25 -0.32 113.62 124.37 2qg1 n SER 1752Ca 0.15 -0.08 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 2qg1 n SER 1752Cb 0.43 -0.47 -0.12 0.00 -0.75 0.00 0.00 64.21 63.31 2qg1 n SER 1752CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2qg1 s ASP 1753N -6.65 -0.02 -0.23 -3.46 2.15 -1.20 -4.86 116.67 102.41 2qg1 s ASP 1753Ca -0.35 -0.01 0.01 0.00 0.43 0.00 0.00 52.55 52.62 2qg1 s ASP 1753Cb 0.10 0.19 0.04 0.00 -0.30 0.00 0.00 42.92 42.94 2qg1 s ASP 1753CO 0.59 -0.16 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.66 2qg1 s ILE 1754N -0.55 2.30 -0.17 4.11 1.01 -1.26 -0.81 121.20 125.82 2qg1 s ILE 1754Ca -0.06 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.07 2qg1 s ILE 1754Cb -0.04 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2qg1 s ILE 1754CO 0.00 0.24 1.60 -0.69 0.00 0.00 0.00 174.94 176.09 2qg1 s VAL 1755N 1.23 3.71 -0.08 2.92 1.01 -0.33 -4.93 120.40 123.93 2qg1 s VAL 1755Ca -0.01 0.82 -0.36 0.00 0.00 0.00 0.00 61.98 62.43 2qg1 s VAL 1755Cb -0.17 -3.66 -0.14 0.00 0.00 0.00 0.00 36.38 32.42 2qg1 s VAL 1755CO -0.08 -0.22 1.74 0.29 0.00 0.00 0.00 175.10 176.83 2qg1 n LYS 1756N 7.45 1.80 0.00 2.72 4.01 -1.26 -1.63 118.16 131.25 2qg1 n LYS 1756Ca 0.18 0.66 0.00 0.00 -0.51 0.00 0.00 58.31 58.64 2qg1 n LYS 1756Cb 0.45 -2.43 0.00 0.00 -0.51 0.00 0.00 35.03 32.54 2qg1 n LYS 1756CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qg1 n GLY 1757N 3.98 2.58 3.64 0.72 0.00 -1.26 -5.08 105.19 109.77 2qg1 n GLY 1757Ca 0.22 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2qg1 n GLY 1757CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qg1 s GLY 1758N -1.29 1.61 0.15 -0.02 0.00 -0.65 -4.71 107.32 102.41 2qg1 s GLY 1758Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 2qg1 s GLY 1758CO 0.00 -0.10 1.78 -2.22 0.00 0.00 0.00 173.10 172.56 2qg1 h ILE 1759N -2.45 1.13 -0.53 0.90 2.04 -1.81 -1.20 117.51 115.60 2qg1 h ILE 1759Ca -0.45 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2qg1 h ILE 1759Cb 1.29 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2qg1 h ILE 1759CO 0.35 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.94 2qg1 h ALA 1760N 1.12 0.68 0.14 1.87 0.00 -1.31 -1.27 119.26 120.48 2qg1 h ALA 1760Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qg1 h ALA 1760Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qg1 h ALA 1760CO -0.03 0.18 -0.17 0.22 0.00 0.00 0.00 179.25 179.46 2qg1 h ASP 1761N 0.71 -0.45 -0.26 0.00 3.58 -1.73 -3.01 116.42 115.26 2qg1 h ASP 1761Ca 0.19 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 2qg1 h ASP 1761Cb 0.02 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2qg1 h ASP 1761CO -0.03 -0.25 -0.01 0.00 -2.88 0.00 0.00 179.24 176.07 2qg1 h ALA 1762N 0.47 1.31 -0.03 -0.78 0.00 -1.05 -2.32 119.26 116.85 2qg1 h ALA 1762Ca 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2qg1 h ALA 1762Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qg1 h ALA 1762CO -0.06 0.47 -0.28 0.22 0.00 0.00 0.00 179.25 179.60 2qg1 h ASP 1763N 0.55 0.05 -0.12 0.00 1.82 -1.18 -3.47 116.42 114.08 2qg1 h ASP 1763Ca 0.12 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 2qg1 h ASP 1763Cb 0.36 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2qg1 h ASP 1763CO 0.01 0.33 -0.05 0.61 -1.61 0.00 0.00 179.24 178.54 2qg1 n GLY 1764N -0.68 0.58 0.07 -0.78 0.00 -0.88 -4.89 105.19 98.61 2qg1 n GLY 1764Ca -0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 2qg1 n GLY 1764CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qg1 n ARG 1765N -2.86 0.18 -2.16 1.61 1.74 -1.26 -5.04 116.66 108.87 2qg1 n ARG 1765Ca -0.02 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 2qg1 n ARG 1765Cb 0.09 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2qg1 n ARG 1765CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qg1 s LEU 1766N -5.46 3.94 0.01 0.55 2.96 -1.26 -5.05 118.68 114.37 2qg1 s LEU 1766Ca -0.10 2.38 0.04 0.00 -0.22 0.00 0.00 54.13 56.23 2qg1 s LEU 1766Cb 0.03 -4.30 -0.01 0.00 0.50 0.00 0.00 46.19 42.40 2qg1 s LEU 1766CO 0.16 -1.09 -0.12 -0.04 -1.32 0.00 0.00 176.35 173.94 2qg1 s MET 1767N -2.83 0.86 0.16 1.98 -1.94 -1.26 -4.97 119.30 111.30 2qg1 s MET 1767Ca 0.67 -0.55 -0.34 0.00 -1.71 0.00 0.00 55.69 53.76 2qg1 s MET 1767Cb -0.30 -0.83 -0.14 0.00 2.01 0.00 0.00 34.83 35.57 2qg1 s MET 1767CO 0.36 0.22 1.59 1.04 -0.01 0.00 0.00 175.02 178.22 2qg1 n GLN 1768N 2.38 2.19 0.00 2.03 6.02 -1.26 -1.71 117.38 127.02 2qg1 n GLN 1768Ca -0.16 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2qg1 n GLN 1768Cb 0.56 -2.57 0.00 0.00 1.02 0.00 0.00 30.24 29.25 2qg1 n GLN 1768CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qg1 n GLY 1769N 3.47 2.45 3.74 1.08 0.00 0.57 -5.01 105.19 111.49 2qg1 n GLY 1769Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qg1 n GLY 1769CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qg1 n ASP 1770N 0.00 3.29 -4.76 1.61 8.00 -0.69 -4.41 116.55 119.60 2qg1 n ASP 1770Ca 0.00 1.21 -0.39 0.00 0.71 0.00 0.00 54.79 56.32 2qg1 n ASP 1770Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 39.49 2qg1 n ASP 1770CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2qg1 s GLN 1771N -1.91 4.39 -0.27 -1.24 0.74 -0.14 -0.03 119.66 121.19 2qg1 s GLN 1771Ca 0.55 0.87 -0.21 0.00 0.05 0.00 0.00 55.36 56.62 2qg1 s GLN 1771Cb -0.52 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.23 2qg1 s GLN 1771CO 0.62 0.35 0.67 0.42 -0.55 0.00 0.00 175.29 176.80 2qg1 s ILE 1772N -0.19 4.93 -0.21 -2.34 1.01 -0.33 -0.80 121.20 123.27 2qg1 s ILE 1772Ca 0.34 1.11 0.06 0.00 0.00 0.00 0.00 60.65 62.16 2qg1 s ILE 1772Cb -0.19 -4.00 -0.21 0.00 0.01 0.00 0.00 42.46 38.07 2qg1 s ILE 1772CO 0.20 -0.07 -0.02 0.18 0.00 0.00 0.00 174.94 175.23 2qg1 n LEU 1773N 5.86 1.96 -3.73 2.97 4.77 0.73 -4.45 117.00 125.12 2qg1 n LEU 1773Ca 0.01 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 2qg1 n LEU 1773Cb 0.49 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 2qg1 n LEU 1773CO 0.45 0.77 0.09 -0.32 -1.33 0.00 0.00 177.39 177.06 2qg1 s MET 1774N -2.52 0.56 -0.13 3.23 0.00 -1.09 -0.99 119.30 118.37 2qg1 s MET 1774Ca -0.25 0.37 -0.00 0.00 0.00 0.00 0.00 55.69 55.81 2qg1 s MET 1774Cb 0.08 0.27 0.03 0.00 0.00 0.00 0.00 34.83 35.20 2qg1 s MET 1774CO 0.70 -0.10 -0.08 0.08 0.00 0.00 0.00 175.02 175.62 2qg1 s VAL 1775N -0.24 1.11 -1.55 10.11 1.01 0.14 -1.49 120.40 129.49 2qg1 s VAL 1775Ca -0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2qg1 s VAL 1775Cb -0.03 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.20 2qg1 s VAL 1775CO 0.02 0.31 0.05 0.59 0.00 0.00 0.00 175.10 176.07 2qg1 n ASN 1776N 4.91 0.79 0.00 3.32 3.02 0.42 -1.15 115.26 126.57 2qg1 n ASN 1776Ca -0.13 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2qg1 n ASN 1776Cb 0.49 -1.70 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 2qg1 n ASN 1776CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qg1 n GLY 1777N -2.51 1.68 3.68 7.41 0.00 -1.26 -5.01 105.19 109.18 2qg1 n GLY 1777Ca -0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2qg1 n GLY 1777CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qg1 s GLU 1778N -0.42 4.19 0.04 1.61 2.12 -0.30 -5.04 118.70 120.90 2qg1 s GLU 1778Ca 0.00 0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2qg1 s GLU 1778Cb 0.00 -3.52 -0.07 0.00 0.26 0.00 0.00 34.13 30.79 2qg1 s GLU 1778CO 0.00 -0.01 1.60 0.34 -0.54 0.00 0.00 175.26 176.65 2qg1 s ASP 1779N 0.98 6.66 -0.09 -1.70 2.15 -1.26 -0.68 116.67 122.73 2qg1 s ASP 1779Ca 0.19 2.37 0.14 0.00 0.43 0.00 0.00 52.55 55.69 2qg1 s ASP 1779Cb -0.15 -2.56 0.29 0.00 -0.30 0.00 0.00 42.92 40.21 2qg1 s ASP 1779CO 0.08 -0.86 1.14 1.33 -0.17 0.00 0.00 175.17 176.69 2qg1 n VAL 1780N 4.83 1.10 0.10 1.11 0.24 -0.16 -4.82 118.33 120.73 2qg1 n VAL 1780Ca 0.15 -1.72 0.08 0.00 -2.04 0.00 0.00 64.34 60.82 2qg1 n VAL 1780Cb 0.41 0.22 0.55 0.00 -1.47 0.00 0.00 33.84 33.56 2qg1 n VAL 1780CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2qg1 h ARG 1781N 0.51 0.24 -0.26 7.34 3.08 -1.75 -2.14 114.38 121.38 2qg1 h ARG 1781Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qg1 h ARG 1781Cb 1.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2qg1 h ARG 1781CO 0.02 0.16 0.00 -1.71 -1.07 0.00 0.00 179.97 177.37 2qg1 n ASN 1782N -4.49 3.11 -4.88 7.04 4.05 -1.26 -3.07 115.26 115.76 2qg1 n ASN 1782Ca 0.02 -2.40 -0.31 0.00 0.45 0.00 0.00 54.58 52.35 2qg1 n ASN 1782Cb 0.16 -0.32 0.03 0.00 1.23 0.00 0.00 39.78 40.88 2qg1 n ASN 1782CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qg1 s ALA 1783N -1.70 3.02 0.43 5.20 0.00 -0.81 -4.76 121.76 123.13 2qg1 s ALA 1783Ca 0.27 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.97 2qg1 s ALA 1783Cb 0.19 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 2qg1 s ALA 1783CO 0.11 -0.88 0.73 0.95 0.00 0.00 0.00 175.76 176.67 2qg1 s THR 1784N -3.25 4.91 0.23 0.00 -4.23 -1.26 -4.17 115.64 107.87 2qg1 s THR 1784Ca 0.56 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.24 2qg1 s THR 1784Cb -0.11 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.10 2qg1 s THR 1784CO 0.53 -0.68 1.74 -0.61 -0.54 0.00 0.00 174.62 175.06 2qg1 h GLN 1785N 0.71 0.43 -0.53 3.99 4.15 -1.93 -1.19 115.11 120.74 2qg1 h GLN 1785Ca -0.47 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 58.82 2qg1 h GLN 1785Cb 1.20 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2qg1 h GLN 1785CO 0.63 0.28 -0.07 1.05 -1.93 0.00 0.00 178.83 178.80 2qg1 h GLU 1786N 0.44 0.99 0.12 1.69 9.09 -1.97 0.63 114.58 125.57 2qg1 h GLU 1786Ca 0.37 -0.35 -0.01 0.00 0.05 0.00 0.00 59.36 59.43 2qg1 h GLU 1786Cb 0.51 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 2qg1 h GLU 1786CO -0.36 1.02 -0.06 0.00 0.05 0.00 0.00 179.01 179.67 2qg1 h ALA 1787N 0.93 -0.16 -0.82 1.06 0.00 -1.82 -1.20 119.26 117.25 2qg1 h ALA 1787Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2qg1 h ALA 1787Cb 0.62 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2qg1 h ALA 1787CO 0.04 -0.53 0.35 0.28 0.00 0.00 0.00 179.25 179.40 2qg1 h VAL 1788N -0.29 1.26 -0.33 0.00 2.07 -1.19 -1.52 116.25 116.25 2qg1 h VAL 1788Ca -0.02 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2qg1 h VAL 1788Cb 0.24 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2qg1 h VAL 1788CO 0.03 0.33 0.16 0.00 0.02 0.00 0.00 177.57 178.11 2qg1 h ALA 1789N 1.20 0.42 -0.89 1.67 0.00 -0.82 -0.90 119.26 119.94 2qg1 h ALA 1789Ca 0.28 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2qg1 h ALA 1789Cb 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2qg1 h ALA 1789CO -0.03 -0.02 0.59 0.00 0.00 0.00 0.00 179.25 179.79 2qg1 h ALA 1790N 1.02 1.15 0.03 0.00 0.00 -1.06 -0.08 119.26 120.31 2qg1 h ALA 1790Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qg1 h ALA 1790Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2qg1 h ALA 1790CO -0.01 0.51 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 2qg1 h LEU 1791N 1.19 -0.04 -0.88 0.00 5.85 -0.98 -0.56 115.31 119.89 2qg1 h LEU 1791Ca 0.34 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2qg1 h LEU 1791Cb -0.10 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2qg1 h LEU 1791CO -0.08 0.03 0.37 -0.07 -0.34 0.00 0.00 178.44 178.34 2qg1 h LEU 1792N -0.09 1.08 -1.02 2.25 3.38 -0.83 -1.68 115.31 118.39 2qg1 h LEU 1792Ca -0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2qg1 h LEU 1792Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2qg1 h LEU 1792CO 0.01 0.92 0.09 0.11 0.09 0.00 0.00 178.44 179.66 2qg1 h LYS 1793N 1.16 0.80 0.00 1.13 1.57 -0.74 -3.03 116.57 117.47 2qg1 h LYS 1793Ca 0.28 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2qg1 h LYS 1793Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2qg1 h LYS 1793CO -0.03 0.74 -0.31 0.00 -0.57 0.00 0.00 179.45 179.28 2qg1 s SER 1795N -3.32 6.84 0.13 0.00 0.01 -0.66 -5.06 113.70 111.63 2qg1 s SER 1795Ca 0.11 1.78 0.06 0.00 1.31 0.00 0.00 55.95 59.21 2qg1 s SER 1795Cb 0.17 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2qg1 s SER 1795CO 0.64 -0.43 -0.13 -0.76 0.41 0.00 0.00 173.24 172.96 2qg1 s LEU 1796N -3.10 2.43 0.00 2.44 1.43 -1.26 -5.01 118.68 115.61 2qg1 s LEU 1796Ca 0.62 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2qg1 s LEU 1796Cb -0.12 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2qg1 s LEU 1796CO 0.16 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.18 2qg1 n GLY 1797N 0.39 1.48 3.69 -3.19 0.00 -1.26 -4.70 105.19 101.60 2qg1 n GLY 1797Ca -0.14 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2qg1 n GLY 1797CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qg1 s THR 1798N 0.00 4.81 -0.27 2.61 2.01 -1.26 -1.09 115.64 122.45 2qg1 s THR 1798Ca 0.00 1.96 -0.07 0.00 0.31 0.00 0.00 61.69 63.89 2qg1 s THR 1798Cb 0.00 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2qg1 s THR 1798CO 0.00 0.03 0.08 -0.69 -0.69 0.00 0.00 174.62 173.35 2qg1 s VAL 1799N 1.91 4.18 -0.31 3.82 1.01 0.24 -4.95 120.40 126.30 2qg1 s VAL 1799Ca 0.47 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2qg1 s VAL 1799Cb -0.18 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2qg1 s VAL 1799CO 0.18 0.22 0.22 -0.89 0.00 0.00 0.00 175.10 174.83 2qg1 s THR 1800N 1.57 5.29 -0.12 3.92 2.01 -1.26 -1.01 115.64 126.05 2qg1 s THR 1800Ca 0.05 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 2qg1 s THR 1800Cb -0.16 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2qg1 s THR 1800CO 0.03 0.12 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.26 2qg1 s LEU 1801N 1.75 3.20 -0.21 4.42 1.43 0.86 -0.43 118.68 129.69 2qg1 s LEU 1801Ca 0.07 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2qg1 s LEU 1801Cb -0.17 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2qg1 s LEU 1801CO 0.11 0.25 0.14 -1.61 0.23 0.00 0.00 176.35 175.46 2qg1 s GLU 1802N -0.12 4.13 0.14 1.70 0.41 -0.55 -0.10 118.70 124.31 2qg1 s GLU 1802Ca 0.02 -0.25 0.06 0.00 -0.41 0.00 0.00 54.97 54.40 2qg1 s GLU 1802Cb -0.13 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.73 2qg1 s GLU 1802CO 0.03 0.22 -0.14 0.14 -0.49 0.00 0.00 175.26 175.01 2qg1 s VAL 1803N 0.60 1.43 -0.14 2.63 -7.23 -0.32 -0.19 120.40 117.19 2qg1 s VAL 1803Ca 0.08 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2qg1 s VAL 1803Cb -0.12 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.15 2qg1 s VAL 1803CO 0.00 -0.45 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.33 2qg1 s GLY 1804N -2.65 1.44 0.14 2.32 0.00 0.02 -1.40 107.32 107.18 2qg1 s GLY 1804Ca 0.12 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 2qg1 s GLY 1804CO 0.04 -0.10 1.25 0.50 0.00 0.00 0.00 173.10 174.79 2qg1 s ARG 1805N 0.61 4.42 -0.28 2.90 1.81 0.59 -0.97 118.95 128.03 2qg1 s ARG 1805Ca -0.10 1.91 -0.04 0.00 -1.72 0.00 0.00 55.73 55.78 2qg1 s ARG 1805Cb -0.16 -3.27 0.02 0.00 -0.45 0.00 0.00 34.95 31.10 2qg1 s ARG 1805CO 0.03 -0.23 0.02 0.42 -0.68 0.00 0.00 175.30 174.86 2qg1 s ILE 1806N 0.53 3.41 0.54 1.52 -1.09 -1.26 -4.50 121.20 120.35 2qg1 s ILE 1806Ca 0.58 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.98 2qg1 s ILE 1806Cb -0.33 -2.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2qg1 s ILE 1806CO 0.33 0.07 0.84 -0.94 -1.23 0.00 0.00 174.94 174.01 2qg1 s SER 1807N 1.39 5.86 -0.22 3.58 1.04 -1.26 -4.95 113.70 119.14 2qg1 s SER 1807Ca 0.00 0.77 -0.04 0.00 0.48 0.00 0.00 55.95 57.16 2qg1 s SER 1807Cb -0.18 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 2qg1 s SER 1807CO -0.00 -0.86 -0.05 -0.89 0.98 0.00 0.00 173.24 172.42 2qg1 s THR 1808N -2.87 3.31 0.18 2.02 2.01 -1.26 -5.10 115.64 113.93 2qg1 s THR 1808Ca 0.51 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2qg1 s THR 1808Cb -0.10 -2.51 -0.07 0.00 0.01 0.00 0.00 72.50 69.82 2qg1 s THR 1808CO 0.45 0.41 1.00 -0.31 -0.69 0.00 0.00 174.62 175.48 2qg1 s TYR 1809N 1.47 3.80 0.00 4.92 1.51 -1.26 -5.37 117.35 122.41 2qg1 s TYR 1809Ca 0.06 1.78 0.00 0.00 -1.01 0.00 0.00 57.07 57.90 2qg1 s TYR 1809Cb -0.14 -3.10 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 2qg1 s TYR 1809CO -0.04 0.03 0.08 1.33 -1.11 0.00 0.00 175.55 175.84