#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwj s ASN 1723N 0.00 7.44 0.37 1.45 3.84 -1.26 -4.63 114.94 122.15 3hwj s ASN 1723Ca 0.00 1.72 0.14 0.00 0.21 0.00 0.00 52.86 54.93 3hwj s ASN 1723Cb 0.00 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.17 3hwj s ASN 1723CO 0.00 0.18 1.77 0.03 -2.79 0.00 0.00 177.10 176.29 3hwj h ARG 1724N 4.21 0.48 -5.89 0.43 3.08 0.48 -3.45 114.38 113.73 3hwj h ARG 1724Ca -0.47 -0.03 -0.67 0.00 0.07 0.00 0.00 59.98 58.89 3hwj h ARG 1724Cb 1.20 -0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.03 3hwj h ARG 1724CO 0.66 0.32 -0.57 -0.06 -1.07 0.00 0.00 179.97 179.26 3hwj s PHE 1725N -5.61 3.32 -0.49 3.04 0.08 -1.26 -4.45 117.98 112.62 3hwj s PHE 1725Ca -0.10 0.29 0.24 0.00 0.12 0.00 0.00 56.93 57.48 3hwj s PHE 1725Cb 0.25 -1.81 0.41 0.00 -0.57 0.00 0.00 43.02 41.30 3hwj s PHE 1725CO 0.80 0.57 1.57 1.79 -0.10 0.00 0.00 175.22 179.85 3hwj h THR 1726N 3.79 0.00 -3.53 0.64 1.35 -1.30 -3.48 112.91 110.37 3hwj h THR 1726Ca -0.51 -0.86 -0.05 0.00 -0.55 0.00 0.00 66.41 64.44 3hwj h THR 1726Cb 1.20 1.78 -0.08 0.00 -1.73 0.00 0.00 68.15 69.32 3hwj h THR 1726CO 0.58 0.00 -0.04 -1.59 -0.25 0.00 0.00 175.52 174.22 3hwj s LYS 1727N -3.20 1.67 0.13 4.72 -2.85 -0.97 -5.03 119.74 114.21 3hwj s LYS 1727Ca 0.07 -1.26 0.08 0.00 -1.00 0.00 0.00 55.97 53.86 3hwj s LYS 1727Cb 0.08 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 3hwj s LYS 1727CO 0.67 -0.71 -0.13 0.99 0.10 0.00 0.00 175.35 176.26 3hwj s THR 1728N -3.80 3.09 0.71 3.79 2.01 -1.26 -0.83 115.64 119.35 3hwj s THR 1728Ca 0.21 -1.49 -0.15 0.00 0.31 0.00 0.00 61.69 60.57 3hwj s THR 1728Cb -0.02 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3hwj s THR 1728CO 0.10 0.03 1.16 -0.94 -0.69 0.00 0.00 174.62 174.28 3hwj s SER 1729N -2.38 4.52 0.11 3.53 1.04 -0.52 -4.79 113.70 115.22 3hwj s SER 1729Ca 0.21 2.19 -0.30 0.00 0.48 0.00 0.00 55.95 58.53 3hwj s SER 1729Cb -0.10 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.38 3hwj s SER 1729CO 0.13 -2.04 1.23 0.00 0.98 0.00 0.00 173.24 173.54 3hwj s GLN 1730N -4.04 4.44 1.44 4.02 0.00 -1.26 -4.85 119.66 119.40 3hwj s GLN 1730Ca 0.71 1.86 0.00 0.00 -0.00 0.00 0.00 55.36 57.92 3hwj s GLN 1730Cb -0.25 -3.29 0.00 0.00 0.00 0.00 0.00 33.01 29.47 3hwj s GLN 1730CO 0.44 -0.22 0.00 0.41 0.00 0.00 0.00 175.29 175.92 3hwj n GLY 1731N 2.89 -1.25 3.26 2.60 0.00 -1.26 -4.45 105.19 106.98 3hwj n GLY 1731Ca 0.08 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3hwj n GLY 1731CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwj s ARG 1732N -0.76 3.74 0.00 1.61 0.52 -1.26 -4.46 118.95 118.33 3hwj s ARG 1732Ca 0.00 -3.06 0.18 0.00 -0.52 0.00 0.00 55.73 52.33 3hwj s ARG 1732Cb 0.00 -4.32 0.18 0.00 0.52 0.00 0.00 34.95 31.33 3hwj s ARG 1732CO 0.00 -1.25 1.10 -1.13 0.02 0.00 0.00 175.30 174.04 3hwj n SER 1733N 2.88 2.58 -4.59 0.23 3.41 -1.15 -4.52 113.62 112.47 3hwj n SER 1733Ca 0.20 -1.77 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 3hwj n SER 1733Cb 0.40 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 3hwj n SER 1733CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3hwj s TRP 1734N -1.43 3.10 0.28 7.33 -0.11 0.20 -4.89 118.94 123.43 3hwj s TRP 1734Ca 0.22 0.57 -0.29 0.00 1.22 0.00 0.00 56.10 57.82 3hwj s TRP 1734Cb 0.15 -3.45 -0.10 0.00 -1.50 0.00 0.00 33.47 28.58 3hwj s TRP 1734CO 0.22 -0.76 1.28 -0.80 -4.62 0.00 0.00 176.95 172.27 3hwj s ASN 1735N 1.86 6.89 0.27 5.86 0.01 -1.26 -1.25 114.94 127.31 3hwj s ASN 1735Ca 0.32 2.54 0.25 0.00 -0.71 0.00 0.00 52.86 55.26 3hwj s ASN 1735Cb -0.13 -2.63 0.67 0.00 0.41 0.00 0.00 41.25 39.57 3hwj s ASN 1735CO 0.17 -0.47 1.72 0.71 -1.51 0.00 0.00 177.10 177.72 3hwj h THR 1736N 3.25 0.00 -2.87 1.60 1.35 -1.83 -3.48 112.91 110.94 3hwj h THR 1736Ca -0.47 -0.62 -0.31 0.00 -0.55 0.00 0.00 66.41 64.46 3hwj h THR 1736Cb 1.22 1.61 -0.05 0.00 -1.73 0.00 0.00 68.15 69.20 3hwj h THR 1736CO 0.69 0.00 -0.36 0.61 -0.25 0.00 0.00 175.52 176.22 3hwj n GLY 1737N 1.25 0.09 4.00 5.82 0.00 -1.26 -2.64 105.19 112.45 3hwj n GLY 1737Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3hwj n GLY 1737CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hwj n ASN 1738N -1.53 -2.63 0.00 1.61 5.15 -1.26 -1.79 115.26 114.80 3hwj n ASN 1738Ca -0.17 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.64 3hwj n ASN 1738Cb 0.59 -2.37 0.00 0.00 -0.53 0.00 0.00 39.78 37.47 3hwj n ASN 1738CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwj n GLY 1739N -2.07 0.62 3.73 8.20 0.00 -0.59 -4.98 105.19 110.10 3hwj n GLY 1739Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3hwj n GLY 1739CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hwj s SER 1740N -2.84 6.91 0.23 1.61 0.15 -0.74 -4.62 113.70 114.40 3hwj s SER 1740Ca 0.00 2.35 -0.30 0.00 0.70 0.00 0.00 55.95 58.70 3hwj s SER 1740Cb 0.00 -2.60 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 3hwj s SER 1740CO 0.00 -0.53 1.01 -2.16 1.20 0.00 0.00 173.24 172.76 3hwj s PRO 1741N 0.17 4.74 -0.11 5.44 0.04 -1.26 -4.62 135.00 139.40 3hwj s PRO 1741Ca 0.58 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 3hwj s PRO 1741Cb -0.36 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 3hwj s PRO 1741CO 0.36 0.34 -0.10 -0.51 0.04 0.00 0.00 177.00 177.13 3hwj s ASP 1742N -0.82 4.32 0.03 6.66 1.01 0.19 -1.39 116.67 126.68 3hwj s ASP 1742Ca 0.44 -0.20 -0.06 0.00 0.71 0.00 0.00 52.55 53.43 3hwj s ASP 1742Cb -0.28 -1.46 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 3hwj s ASP 1742CO 0.35 0.23 0.11 0.00 0.21 0.00 0.00 175.17 176.07 3hwj s ALA 1743N -0.02 -0.15 -0.01 5.23 0.00 -1.26 0.11 121.76 125.66 3hwj s ALA 1743Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3hwj s ALA 1743Cb -0.14 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3hwj s ALA 1743CO 0.03 -0.30 -0.03 -1.50 0.00 0.00 0.00 175.76 173.97 3hwj s ILE 1744N -2.33 0.23 0.09 0.00 1.10 -0.59 -4.52 121.20 115.19 3hwj s ILE 1744Ca -0.07 -0.10 -0.23 0.00 -0.51 0.00 0.00 60.65 59.74 3hwj s ILE 1744Cb -0.03 -0.22 -0.07 0.00 0.15 0.00 0.00 42.46 42.30 3hwj s ILE 1744CO -0.03 0.08 0.70 0.00 -2.11 0.00 0.00 174.94 173.58 3hwj s PHE 1746N -0.74 0.53 0.01 0.00 -0.12 0.16 -1.34 117.98 116.48 3hwj s PHE 1746Ca 0.34 -0.90 -0.16 0.00 -0.05 0.00 0.00 56.93 56.16 3hwj s PHE 1746Cb -0.21 -0.37 0.03 0.00 -0.63 0.00 0.00 43.02 41.84 3hwj s PHE 1746CO 0.23 -0.29 0.34 0.00 -0.05 0.00 0.00 175.22 175.45 3hwj s ALA 1747N -3.22 -0.84 0.14 1.99 0.00 -0.35 -0.31 121.76 119.17 3hwj s ALA 1747Ca 0.02 0.28 0.10 0.00 0.00 0.00 0.00 51.96 52.36 3hwj s ALA 1747Cb 0.03 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3hwj s ALA 1747CO -0.07 -0.34 -0.23 0.14 0.00 0.00 0.00 175.76 175.26 3hwj s VAL 1748N -1.87 2.51 0.33 0.00 -7.23 -1.26 -0.86 120.40 112.02 3hwj s VAL 1748Ca -0.10 -1.73 0.23 0.00 -1.81 0.00 0.00 61.98 58.57 3hwj s VAL 1748Cb -0.03 -2.15 0.22 0.00 0.56 0.00 0.00 36.38 34.99 3hwj s VAL 1748CO 0.01 0.04 1.94 -0.78 -0.31 0.00 0.00 175.10 176.01 3hwj h ASP 1749N 3.66 0.00 -4.41 4.85 3.58 -1.81 0.24 116.42 122.53 3hwj h ASP 1749Ca -0.50 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 56.68 3hwj h ASP 1749Cb 1.18 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.08 3hwj h ASP 1749CO 0.44 0.22 -0.69 -0.54 -2.88 0.00 0.00 179.24 175.78 3hwj s LYS 1750N -4.05 0.98 0.63 0.28 -0.14 -1.26 -4.82 119.74 111.35 3hwj s LYS 1750Ca -0.02 -1.43 -0.06 0.00 -1.36 0.00 0.00 55.97 53.11 3hwj s LYS 1750Cb 0.13 -0.33 0.03 0.00 -1.68 0.00 0.00 37.83 35.97 3hwj s LYS 1750CO 0.64 -0.03 0.93 -1.25 -0.76 0.00 0.00 175.35 174.88 3hwj s PRO 1751N -3.84 2.64 0.00 -1.68 0.04 -1.26 -4.28 135.00 126.62 3hwj s PRO 1751Ca 0.17 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.06 3hwj s PRO 1751Cb 0.05 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3hwj s PRO 1751CO -0.01 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.55 3hwj n GLY 1752N -2.69 0.78 3.73 0.56 0.00 -1.26 -4.87 105.19 101.44 3hwj n GLY 1752Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3hwj n GLY 1752CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwj s ILE 1753N -3.09 4.15 -0.13 -0.61 -1.09 -1.26 0.51 121.20 119.68 3hwj s ILE 1753Ca 0.00 1.72 0.01 0.00 -2.23 0.00 0.00 60.65 60.14 3hwj s ILE 1753Cb 0.00 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.80 3hwj s ILE 1753CO 0.00 0.23 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.12 3hwj s VAL 1754N 0.27 1.42 -0.14 2.92 1.01 -0.21 -1.72 120.40 123.95 3hwj s VAL 1754Ca 0.51 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 3hwj s VAL 1754Cb -0.27 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3hwj s VAL 1754CO 0.32 0.43 0.61 -0.69 0.00 0.00 0.00 175.10 175.77 3hwj s VAL 1755N 1.39 5.07 -0.81 2.92 1.01 0.12 -2.21 120.40 127.90 3hwj s VAL 1755Ca 0.02 1.20 0.12 0.00 0.00 0.00 0.00 61.98 63.31 3hwj s VAL 1755Cb -0.13 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 3hwj s VAL 1755CO -0.08 0.21 0.60 1.33 0.00 0.00 0.00 175.10 177.16 3hwj n VAL 1756N 4.15 0.00 -0.32 2.92 0.24 -0.14 -0.57 118.33 124.61 3hwj n VAL 1756Ca -0.03 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3hwj n VAL 1756Cb 0.51 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 3hwj n VAL 1756CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hwj n GLY 1757N 1.16 -2.03 3.10 7.63 0.00 -1.18 -0.55 105.19 113.31 3hwj n GLY 1757Ca 0.03 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 3hwj n GLY 1757CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwj s PHE 1758N -2.09 0.21 0.00 1.61 0.08 -0.48 -0.58 117.98 116.73 3hwj s PHE 1758Ca 0.00 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.52 3hwj s PHE 1758Cb 0.00 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.26 3hwj s PHE 1758CO 0.00 -0.33 0.20 0.00 -0.10 0.00 0.00 175.22 174.99 3hwj s ALA 1759N -2.39 3.94 0.03 5.36 0.00 -0.12 -0.27 121.76 128.29 3hwj s ALA 1759Ca -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3hwj s ALA 1759Cb -0.03 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 3hwj s ALA 1759CO -0.04 0.73 -0.07 0.14 0.00 0.00 0.00 175.76 176.53 3hwj s VAL 1760N -1.34 0.47 0.47 0.00 -7.23 0.08 -3.19 120.40 109.66 3hwj s VAL 1760Ca 0.28 -0.84 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 3hwj s VAL 1760Cb -0.13 -0.51 -0.08 0.00 0.56 0.00 0.00 36.38 36.22 3hwj s VAL 1760CO 0.19 -0.26 1.06 -0.31 -0.31 0.00 0.00 175.10 175.47 3hwj s TYR 1761N -1.05 3.02 0.00 2.82 2.02 -1.26 -1.22 117.35 121.68 3hwj s TYR 1761Ca -0.07 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 3hwj s TYR 1761Cb -0.08 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 3hwj s TYR 1761CO 0.00 -0.91 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 3hwj n GLY 1762N 0.01 6.47 0.00 0.71 0.00 -0.19 -4.83 105.19 107.36 3hwj n GLY 1762Ca 0.08 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3hwj n GLY 1762CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwj n GLY 1763N 2.43 3.27 2.36 -0.02 0.00 -1.26 -1.25 105.19 110.73 3hwj n GLY 1763Ca 0.00 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 3hwj n GLY 1763CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwj n GLY 1764N -0.77 -0.24 4.74 -0.02 0.00 -1.25 -4.48 105.19 103.16 3hwj n GLY 1764Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3hwj n GLY 1764CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwj n GLY 1765N -1.00 -0.73 3.72 -0.02 0.00 -1.26 -4.40 105.19 101.50 3hwj n GLY 1765Ca -0.21 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3hwj n GLY 1765CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwj s ILE 1766N 0.00 3.65 0.05 -0.61 1.01 -1.26 -4.51 121.20 119.53 3hwj s ILE 1766Ca 0.00 1.27 0.08 0.00 0.00 0.00 0.00 60.65 62.01 3hwj s ILE 1766Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3hwj s ILE 1766CO 0.00 0.15 -0.23 -1.00 0.00 0.00 0.00 174.94 173.86 3hwj s HIS 1767N 0.57 2.42 -0.15 3.97 3.76 0.11 -4.74 115.29 121.24 3hwj s HIS 1767Ca 0.57 -0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 55.04 3hwj s HIS 1767Cb -0.33 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 31.91 3hwj s HIS 1767CO 0.33 0.19 0.18 -1.21 -0.85 0.00 0.00 174.74 173.38 3hwj s GLU 1768N -1.37 3.86 0.06 1.40 2.02 -0.73 -1.56 118.70 122.39 3hwj s GLU 1768Ca 0.13 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.06 3hwj s GLU 1768Cb -0.10 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 3hwj s GLU 1768CO 0.04 0.52 -0.10 1.52 0.02 0.00 0.00 175.26 177.26 3hwj s TYR 1769N -0.32 0.90 -0.13 1.61 -0.85 -0.64 -0.60 117.35 117.32 3hwj s TYR 1769Ca 0.13 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 3hwj s TYR 1769Cb -0.12 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.71 3hwj s TYR 1769CO 0.03 -0.04 -0.21 -2.00 -1.52 0.00 0.00 175.55 171.81 3hwj s GLU 1770N -1.97 3.08 -0.10 -3.49 2.12 0.11 -1.66 118.70 116.79 3hwj s GLU 1770Ca -0.04 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.46 3hwj s GLU 1770Cb -0.08 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.89 3hwj s GLU 1770CO 0.01 0.05 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.50 3hwj s LEU 1771N 0.68 1.42 -0.02 2.70 0.20 -0.04 0.12 118.68 123.72 3hwj s LEU 1771Ca -0.10 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 54.45 3hwj s LEU 1771Cb -0.16 -0.87 -0.01 0.00 -0.43 0.00 0.00 46.19 44.72 3hwj s LEU 1771CO 0.01 -0.05 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.16 3hwj s GLU 1772N 1.27 1.44 -0.12 1.98 2.12 -0.09 -1.27 118.70 124.02 3hwj s GLU 1772Ca -0.03 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 54.70 3hwj s GLU 1772Cb -0.14 -1.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.88 3hwj s GLU 1772CO -0.04 0.29 0.01 0.08 -0.54 0.00 0.00 175.26 175.07 3hwj s VAL 1773N -0.19 4.40 0.15 3.70 1.01 0.67 -1.20 120.40 128.94 3hwj s VAL 1773Ca 0.02 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3hwj s VAL 1773Cb -0.08 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3hwj s VAL 1773CO 0.00 0.55 -0.08 -0.76 0.00 0.00 0.00 175.10 174.81 3hwj s LEU 1774N -0.35 2.46 -0.01 3.92 1.02 0.16 -0.00 118.68 125.89 3hwj s LEU 1774Ca 0.07 -1.05 0.04 0.00 0.02 0.00 0.00 54.13 53.21 3hwj s LEU 1774Cb -0.12 -0.28 -0.01 0.00 0.02 0.00 0.00 46.19 45.80 3hwj s LEU 1774CO 0.02 -0.38 -0.12 0.54 0.02 0.00 0.00 176.35 176.43 3hwj s VAL 1775N -3.40 0.94 0.44 -1.59 0.11 0.61 -0.79 120.40 116.72 3hwj s VAL 1775Ca 0.18 -0.51 -0.22 0.00 -2.93 0.00 0.00 61.98 58.50 3hwj s VAL 1775Cb 0.03 -0.79 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 3hwj s VAL 1775CO 0.01 0.27 1.01 -0.62 -3.33 0.00 0.00 175.10 172.44 3hwj s ASP 1776N -0.25 6.67 0.00 3.54 2.15 -0.71 -0.82 116.67 127.24 3hwj s ASP 1776Ca 0.04 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.91 3hwj s ASP 1776Cb -0.05 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 3hwj s ASP 1776CO -0.00 -0.55 0.00 -2.11 -0.17 0.00 0.00 175.17 172.33 3hwj n ARG 1789N -0.56 0.00 -4.78 4.34 1.85 -1.26 -4.81 116.66 111.44 3hwj n ARG 1789Ca 0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.59 3hwj n ARG 1789Cb 0.52 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.78 3hwj n ARG 1789CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3hwj s TRP 1790N 0.00 2.73 -0.16 2.89 0.52 -1.26 -5.12 118.94 118.53 3hwj s TRP 1790Ca 0.00 -0.94 -0.06 0.00 0.02 0.00 0.00 56.10 55.12 3hwj s TRP 1790Cb 0.00 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 3hwj s TRP 1790CO 0.00 -0.39 0.03 0.99 0.02 0.00 0.00 176.95 177.60 3hwj s THR 1791N 0.55 4.52 0.05 2.01 2.01 0.00 -4.90 115.64 119.89 3hwj s THR 1791Ca -0.11 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 3hwj s THR 1791Cb -0.16 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 3hwj s THR 1791CO 0.04 0.49 1.10 -0.55 -0.69 0.00 0.00 174.62 175.01 3hwj s SER 1792N 0.19 7.22 -0.10 3.53 0.15 -1.26 -0.29 113.70 123.14 3hwj s SER 1792Ca 0.02 1.89 0.11 0.00 0.70 0.00 0.00 55.95 58.67 3hwj s SER 1792Cb -0.13 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.45 3hwj s SER 1792CO 0.01 -0.36 0.08 0.18 1.20 0.00 0.00 173.24 174.36 3hwj n LEU 1793N 3.74 0.00 -3.64 3.45 4.77 1.00 -4.96 117.00 121.36 3hwj n LEU 1793Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 3hwj n LEU 1793Cb 0.48 0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 3hwj n LEU 1793CO 0.54 0.24 0.76 -0.70 -1.33 0.00 0.00 177.39 176.89 3hwj s GLU 1794N -2.39 0.38 -0.04 3.23 2.56 -1.20 -4.99 118.70 116.26 3hwj s GLU 1794Ca -0.06 0.56 -0.00 0.00 0.00 0.00 0.00 54.97 55.47 3hwj s GLU 1794Cb 0.04 0.13 0.03 0.00 2.00 0.00 0.00 34.13 36.33 3hwj s GLU 1794CO 0.48 -0.06 0.01 -1.17 -0.56 0.00 0.00 175.26 173.96 3hwj s LEU 1795N 0.84 0.91 0.09 2.70 2.96 -1.26 -0.24 118.68 124.67 3hwj s LEU 1795Ca -0.03 -0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 3hwj s LEU 1795Cb -0.04 -0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 3hwj s LEU 1795CO -0.12 -0.14 -0.24 0.68 -1.32 0.00 0.00 176.35 175.22 3hwj s VAL 1796N 1.36 1.96 0.05 1.68 -7.23 -0.39 -4.89 120.40 112.94 3hwj s VAL 1796Ca -0.05 -1.52 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3hwj s VAL 1796Cb -0.13 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 3hwj s VAL 1796CO -0.02 0.12 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.17 3hwj s LYS 1797N -1.69 1.12 0.00 4.82 1.02 -1.26 -0.86 119.74 122.88 3hwj s LYS 1797Ca 0.10 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.23 3hwj s LYS 1797Cb -0.10 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 3hwj s LYS 1797CO 0.04 0.29 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 3hwj n GLY 1798N 1.81 0.94 3.09 -3.33 0.00 -0.66 -4.98 105.19 102.05 3hwj n GLY 1798Ca -0.18 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 3hwj n GLY 1798CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hwj s THR 1799N -2.18 0.39 0.12 2.61 -4.23 -1.26 -1.62 115.64 109.47 3hwj s THR 1799Ca 0.00 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.75 3hwj s THR 1799Cb 0.00 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.62 3hwj s THR 1799CO 0.00 -0.80 0.36 -0.72 -0.54 0.00 0.00 174.62 172.92 3hwj s TYR 1800N -3.10 -0.14 -0.01 3.99 -0.85 -0.60 -4.98 117.35 111.66 3hwj s TYR 1800Ca 0.03 -0.19 -0.04 0.00 -0.52 0.00 0.00 57.07 56.34 3hwj s TYR 1800Cb 0.02 0.20 -0.00 0.00 0.38 0.00 0.00 41.96 42.55 3hwj s TYR 1800CO -0.06 -0.67 0.08 -0.08 -1.52 0.00 0.00 175.55 173.31 3hwj s THR 1801N -3.76 0.06 -0.36 -3.49 -1.32 -1.26 0.10 115.64 105.61 3hwj s THR 1801Ca 0.03 -0.52 0.08 0.00 -1.21 0.00 0.00 61.69 60.07 3hwj s THR 1801Cb 0.02 -0.30 0.20 0.00 -1.51 0.00 0.00 72.50 70.91 3hwj s THR 1801CO -0.11 -0.29 1.15 0.35 -2.21 0.00 0.00 174.62 173.51 3hwj n THR 1802N 2.00 1.24 0.18 5.08 -2.24 -1.26 -4.76 114.28 114.51 3hwj n THR 1802Ca -0.20 -1.25 0.02 0.00 -2.27 0.00 0.00 64.05 60.35 3hwj n THR 1802Cb 0.57 0.33 0.32 0.00 -2.10 0.00 0.00 70.33 69.45 3hwj n THR 1802CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwj h ASP 1803N 0.90 0.00 -0.25 3.42 5.19 -1.87 -2.91 116.42 120.90 3hwj h ASP 1803Ca 0.00 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.30 3hwj h ASP 1803Cb 0.74 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.19 3hwj h ASP 1803CO 0.02 0.42 0.14 -0.90 -3.12 0.00 0.00 179.24 175.81 3hwj n ASP 1804N -4.02 3.00 -3.65 6.45 5.68 -1.26 -4.89 116.55 117.86 3hwj n ASP 1804Ca -0.02 -2.40 -0.15 0.00 -0.50 0.00 0.00 54.79 51.72 3hwj n ASP 1804Cb 0.45 -0.58 -0.08 0.00 -1.14 0.00 0.00 41.12 39.77 3hwj n ASP 1804CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3hwj s SER 1805N 0.23 -0.45 0.33 -1.12 1.04 -1.10 -5.01 113.70 107.63 3hwj s SER 1805Ca 0.15 0.52 0.26 0.00 0.48 0.00 0.00 55.95 57.36 3hwj s SER 1805Cb 0.13 0.54 1.10 0.00 0.10 0.00 0.00 66.02 67.88 3hwj s SER 1805CO 0.03 -0.48 1.78 1.55 0.98 0.00 0.00 173.24 177.11 3hwj h PRO 1806N 3.72 0.00 -6.89 4.02 0.13 -1.90 -3.43 132.00 127.65 3hwj h PRO 1806Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 3hwj h PRO 1806Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 3hwj h PRO 1806CO 0.36 0.00 0.45 0.45 -0.23 0.00 0.00 178.00 179.03 3hwj s SER 1807N -4.56 6.93 -0.07 1.44 0.15 -1.26 -4.96 113.70 111.37 3hwj s SER 1807Ca 0.03 2.18 0.12 0.00 0.70 0.00 0.00 55.95 58.98 3hwj s SER 1807Cb 0.09 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.26 3hwj s SER 1807CO 0.42 -0.38 1.32 0.47 1.20 0.00 0.00 173.24 176.27 3hwj n ASP 1808N 0.48 3.25 -4.02 5.45 8.00 -1.26 -4.81 116.55 123.63 3hwj n ASP 1808Ca 0.02 -2.28 -0.26 0.00 0.71 0.00 0.00 54.79 52.98 3hwj n ASP 1808Cb 0.47 -0.46 -0.17 0.00 -0.02 0.00 0.00 41.12 40.94 3hwj n ASP 1808CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hwj s ILE 1809N -1.73 1.21 0.15 0.53 1.01 -1.26 -1.02 121.20 120.09 3hwj s ILE 1809Ca 0.33 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.54 3hwj s ILE 1809Cb 0.21 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 3hwj s ILE 1809CO 0.16 0.38 0.04 0.00 0.00 0.00 0.00 174.94 175.51 3hwj s ALA 1810N 0.80 3.32 -0.19 9.38 0.00 -0.35 -4.96 121.76 129.76 3hwj s ALA 1810Ca -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 3hwj s ALA 1810Cb -0.15 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 3hwj s ALA 1810CO 0.02 0.53 -0.08 -1.21 0.00 0.00 0.00 175.76 175.02 3hwj s GLU 1811N -2.86 3.35 -0.25 0.00 2.02 -1.26 -0.74 118.70 118.96 3hwj s GLU 1811Ca 0.28 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 3hwj s GLU 1811Cb -0.10 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 3hwj s GLU 1811CO 0.20 -0.09 0.17 0.42 0.02 0.00 0.00 175.26 175.99 3hwj s ILE 1812N 1.15 5.34 0.09 -1.63 -1.09 0.62 -4.97 121.20 120.72 3hwj s ILE 1812Ca 0.02 0.19 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 3hwj s ILE 1812Cb -0.14 -3.51 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 3hwj s ILE 1812CO -0.02 0.32 0.50 -0.60 -1.23 0.00 0.00 174.94 173.91 3hwj s ARG 1813N 1.24 3.99 0.52 2.79 3.52 -1.26 -1.38 118.95 128.36 3hwj s ARG 1813Ca 0.08 0.49 -0.18 0.00 -0.13 0.00 0.00 55.73 55.99 3hwj s ARG 1813Cb -0.14 -3.07 -0.07 0.00 -1.56 0.00 0.00 34.95 30.10 3hwj s ARG 1813CO 0.06 0.57 1.02 -0.51 -0.81 0.00 0.00 175.30 175.63 3hwj s LEU 1814N -1.57 3.70 0.17 -0.88 1.43 0.28 -4.93 118.68 116.88 3hwj s LEU 1814Ca 0.32 1.77 -0.02 0.00 -1.03 0.00 0.00 54.13 55.16 3hwj s LEU 1814Cb -0.16 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.55 3hwj s LEU 1814CO 0.18 -0.78 1.41 0.44 0.23 0.00 0.00 176.35 177.83 3hwj h ASP 1815N 1.11 0.51 -3.73 2.29 3.32 -1.90 -3.43 116.42 114.60 3hwj h ASP 1815Ca -0.48 -0.34 -0.57 0.00 0.02 0.00 0.00 57.03 55.66 3hwj h ASP 1815Cb 1.21 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 40.28 3hwj h ASP 1815CO 0.59 1.09 -0.84 -0.54 -1.72 0.00 0.00 179.24 177.83 3hwj s LYS 1816N -3.59 1.92 0.69 3.56 1.02 -1.26 -5.14 119.74 116.94 3hwj s LYS 1816Ca -0.06 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.17 3hwj s LYS 1816Cb 0.10 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 3hwj s LYS 1816CO 0.85 0.19 1.18 0.14 -0.92 0.00 0.00 175.35 176.79 3hwj s VAL 1817N 0.20 2.59 -0.28 3.17 -7.23 -1.26 -4.99 120.40 112.61 3hwj s VAL 1817Ca -0.08 0.30 0.03 0.00 -1.81 0.00 0.00 61.98 60.42 3hwj s VAL 1817Cb -0.13 -2.89 0.07 0.00 0.56 0.00 0.00 36.38 33.98 3hwj s VAL 1817CO 0.03 -0.15 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.91 3hwj s VAL 1818N -2.00 2.21 0.04 1.32 1.01 0.27 -4.94 120.40 118.31 3hwj s VAL 1818Ca 0.73 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.64 3hwj s VAL 1818Cb -0.27 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3hwj s VAL 1818CO 0.42 -0.14 1.18 -2.84 0.00 0.00 0.00 175.10 173.72 3hwj s PRO 1819N 1.07 4.43 0.00 2.72 0.02 -1.26 0.13 135.00 142.11 3hwj s PRO 1819Ca -0.05 1.73 -0.09 0.00 0.02 0.00 0.00 61.00 62.60 3hwj s PRO 1819Cb -0.20 -3.40 -0.05 0.00 0.02 0.00 0.00 34.50 30.88 3hwj s PRO 1819CO -0.05 -0.27 0.31 -0.51 -0.33 0.00 0.00 177.00 176.14 3hwj s LEU 1820N 1.26 4.39 0.07 -5.54 1.43 -0.70 -4.97 118.68 114.63 3hwj s LEU 1820Ca 0.58 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 54.06 3hwj s LEU 1820Cb -0.28 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 3hwj s LEU 1820CO 0.28 0.28 1.01 -0.54 0.23 0.00 0.00 176.35 177.60 3hwj s LYS 1821N -1.53 4.61 0.28 1.70 1.02 -1.26 -4.50 119.74 120.06 3hwj s LYS 1821Ca 0.26 1.50 -0.30 0.00 0.02 0.00 0.00 55.97 57.45 3hwj s LYS 1821Cb -0.14 -3.39 -0.13 0.00 -0.52 0.00 0.00 37.83 33.65 3hwj s LYS 1821CO 0.14 0.06 1.34 -1.91 -0.92 0.00 0.00 175.35 174.06 3hwj n GLU 1822N 3.24 2.03 -2.54 1.68 2.13 -1.26 -2.86 120.64 123.06 3hwj n GLU 1822Ca 0.04 0.72 -0.19 0.00 0.66 0.00 0.00 57.16 58.39 3hwj n GLU 1822Cb 0.49 -2.33 -0.00 0.00 0.27 0.00 0.00 31.44 29.87 3hwj n GLU 1822CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3hwj n ASN 1823N 1.58 -5.43 -4.32 4.31 5.03 0.86 -4.98 115.26 112.31 3hwj n ASN 1823Ca 0.09 -0.02 -0.32 0.00 0.87 0.00 0.00 54.58 55.20 3hwj n ASN 1823Cb 0.33 -4.51 -0.16 0.00 -1.02 0.00 0.00 39.78 34.43 3hwj n ASN 1823CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hwj s VAL 1824N -2.96 2.33 -0.18 2.41 1.01 -1.14 -5.01 120.40 116.86 3hwj s VAL 1824Ca 0.06 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3hwj s VAL 1824Cb -0.03 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3hwj s VAL 1824CO 0.07 0.57 1.25 -0.75 0.00 0.00 0.00 175.10 176.24 3hwj s LYS 1825N -0.30 4.21 0.29 2.72 2.20 -1.26 -4.44 119.74 123.15 3hwj s LYS 1825Ca 0.01 1.60 0.07 0.00 -0.36 0.00 0.00 55.97 57.29 3hwj s LYS 1825Cb -0.13 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 3hwj s LYS 1825CO 0.02 -0.74 0.21 0.71 -0.36 0.00 0.00 175.35 175.20 3hwj s TYR 1826N 3.56 2.98 -0.00 4.03 2.02 0.57 -1.74 117.35 128.77 3hwj s TYR 1826Ca 0.54 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 3hwj s TYR 1826Cb -0.21 -1.53 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3hwj s TYR 1826CO 0.15 0.40 -0.09 0.00 -1.57 0.00 0.00 175.55 174.44 3hwj s ALA 1827N -2.22 0.76 -0.08 3.71 0.00 0.03 -0.66 121.76 123.30 3hwj s ALA 1827Ca 0.36 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.93 3hwj s ALA 1827Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3hwj s ALA 1827CO 0.25 0.18 -0.18 0.54 0.00 0.00 0.00 175.76 176.55 3hwj s VAL 1828N -0.29 2.72 -0.07 0.00 0.11 -0.56 0.39 120.40 122.70 3hwj s VAL 1828Ca 0.03 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 3hwj s VAL 1828Cb -0.04 -2.07 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 3hwj s VAL 1828CO -0.00 0.56 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.63 3hwj s ARG 1829N -0.20 1.49 -0.14 1.54 3.52 -0.34 -1.54 118.95 123.28 3hwj s ARG 1829Ca -0.01 -0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 3hwj s ARG 1829Cb -0.13 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 31.94 3hwj s ARG 1829CO 0.03 -0.03 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.25 3hwj s LEU 1830N 0.82 3.05 -0.21 -0.88 2.96 0.12 -0.91 118.68 123.63 3hwj s LEU 1830Ca -0.12 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3hwj s LEU 1830Cb -0.15 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.82 3hwj s LEU 1830CO 0.02 0.17 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.00 3hwj s ARG 1831N 0.33 3.26 0.07 1.98 0.52 0.12 -0.63 118.95 124.59 3hwj s ARG 1831Ca -0.06 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 3hwj s ARG 1831Cb -0.15 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 3hwj s ARG 1831CO 0.04 -0.20 -0.22 1.21 0.02 0.00 0.00 175.30 176.15 3hwj s ASN 1832N 1.42 2.62 -0.04 0.23 2.47 -1.26 0.08 114.94 120.47 3hwj s ASN 1832Ca 0.06 -0.60 0.01 0.00 0.42 0.00 0.00 52.86 52.74 3hwj s ASN 1832Cb -0.14 -0.19 0.02 0.00 -1.45 0.00 0.00 41.25 39.49 3hwj s ASN 1832CO -0.06 0.14 -0.03 -0.31 -3.72 0.00 0.00 177.10 173.12 3hwj s TYR 1833N -0.94 0.57 -5.00 0.43 2.02 0.23 -1.55 117.35 113.11 3hwj s TYR 1833Ca 0.08 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 3hwj s TYR 1833Cb -0.09 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 3hwj s TYR 1833CO 0.03 -0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 3hwj n GLY 1834N 4.04 0.97 3.93 0.71 0.00 -1.26 -1.76 105.19 111.81 3hwj n GLY 1834Ca -0.26 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.61 3hwj n GLY 1834CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hwj s SER 1835N -4.00 4.19 0.35 1.61 0.01 -1.26 -4.65 113.70 109.95 3hwj s SER 1835Ca 0.00 0.36 -0.28 0.00 1.31 0.00 0.00 55.95 57.34 3hwj s SER 1835Cb 0.00 -0.76 -0.12 0.00 0.21 0.00 0.00 66.02 65.35 3hwj s SER 1835CO 0.00 -2.03 1.28 0.54 0.41 0.00 0.00 173.24 173.44 3hwj n ARG 1836N -3.24 2.09 -4.31 12.44 1.74 -1.26 -4.69 116.66 119.44 3hwj n ARG 1836Ca 0.11 0.73 -0.25 0.00 -0.77 0.00 0.00 57.85 57.68 3hwj n ARG 1836Cb 0.60 -2.32 -0.08 0.00 -1.02 0.00 0.00 32.46 29.64 3hwj n ARG 1836CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3hwj s THR 1837N -1.10 2.56 1.15 0.55 -4.23 -0.38 -3.97 115.64 110.22 3hwj s THR 1837Ca 0.56 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 3hwj s THR 1837Cb -0.57 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 70.67 3hwj s THR 1837CO 0.62 -0.15 0.85 0.00 -0.54 0.00 0.00 174.62 175.40 3hwj n ALA 1838N -1.01 -2.97 -2.87 3.99 0.00 -0.38 -0.63 120.51 116.64 3hwj n ALA 1838Ca -0.04 -1.15 -0.10 0.00 0.00 0.00 0.00 53.44 52.16 3hwj n ALA 1838Cb 0.63 -1.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.08 3hwj n ALA 1838CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hwj s ASN 1839N -2.32 -0.01 0.33 0.00 2.20 -1.26 -4.66 114.94 109.21 3hwj s ASN 1839Ca 0.66 -1.01 0.04 0.00 -0.94 0.00 0.00 52.86 51.61 3hwj s ASN 1839Cb -0.23 0.51 -0.02 0.00 -2.00 0.00 0.00 41.25 39.51 3hwj s ASN 1839CO 0.65 -1.02 0.49 -0.83 -2.94 0.00 0.00 177.10 173.45 3hwj s GLY 1840N -3.04 1.41 0.23 0.45 0.00 0.03 -1.44 107.32 104.97 3hwj s GLY 1840Ca 0.25 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 3hwj s GLY 1840CO 0.08 -1.13 0.25 -0.35 0.00 0.00 0.00 173.10 171.95 3hwj s ASP 1841N -4.09 0.22 -0.97 1.64 -1.08 -0.01 -1.68 116.67 110.71 3hwj s ASP 1841Ca 0.41 -1.29 -0.05 0.00 -0.52 0.00 0.00 52.55 51.10 3hwj s ASP 1841Cb -0.09 0.46 0.01 0.00 -1.46 0.00 0.00 42.92 41.83 3hwj s ASP 1841CO 0.33 -0.96 0.63 0.61 0.52 0.00 0.00 175.17 176.30 3hwj n GLY 1842N -0.34 -0.08 0.00 2.66 0.00 -0.67 -2.29 105.19 104.46 3hwj n GLY 1842Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hwj n GLY 1842CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwj n GLY 1843N -1.41 -2.92 0.00 -0.02 0.00 0.18 -2.19 105.19 98.83 3hwj n GLY 1843Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3hwj n GLY 1843CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hwj n THR 1845N -0.68 0.00 -4.61 2.61 -2.24 -1.26 -4.59 114.28 103.50 3hwj n THR 1845Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 3hwj n THR 1845Cb 0.00 -0.24 -0.17 0.00 -2.10 0.00 0.00 70.33 67.82 3hwj n THR 1845CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hwj s THR 1846N -1.29 1.31 -0.21 4.28 -4.23 -1.26 -0.45 115.64 113.80 3hwj s THR 1846Ca 0.00 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3hwj s THR 1846Cb 0.00 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.69 3hwj s THR 1846CO 0.00 0.40 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.67 3hwj s VAL 1847N 0.73 1.77 -0.30 2.29 1.01 0.37 -5.00 120.40 121.27 3hwj s VAL 1847Ca -0.13 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 3hwj s VAL 1847Cb -0.16 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3hwj s VAL 1847CO 0.03 0.17 0.56 -1.58 0.00 0.00 0.00 175.10 174.27 3hwj s GLN 1848N 1.34 3.89 0.51 2.72 2.00 -1.26 -0.93 119.66 127.92 3hwj s GLN 1848Ca -0.02 0.19 -0.11 0.00 -2.00 0.00 0.00 55.36 53.42 3hwj s GLN 1848Cb -0.17 -3.72 -0.05 0.00 0.80 0.00 0.00 33.01 29.87 3hwj s GLN 1848CO -0.08 -0.51 0.89 0.00 -0.50 0.00 0.00 175.29 175.09 3hwj h PRO 1850N 0.51 0.00 0.00 0.00 0.11 -1.97 -2.42 132.00 128.23 3hwj h PRO 1850Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hwj h PRO 1850Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hwj h PRO 1850CO 0.62 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3hwj n ASP 1851N -3.10 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 110.94 3hwj n ASP 1851Ca 0.01 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 3hwj n ASP 1851Cb 0.32 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3hwj n ASP 1851CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hwj n GLY 1852N 0.35 2.35 3.72 6.12 0.00 -0.91 -5.08 105.19 111.74 3hwj n GLY 1852Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3hwj n GLY 1852CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwj s VAL 1853N -2.48 3.68 -0.27 1.61 1.01 -1.26 -4.77 120.40 117.92 3hwj s VAL 1853Ca 0.00 1.23 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 3hwj s VAL 1853Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3hwj s VAL 1853CO 0.00 0.11 0.26 -0.89 0.00 0.00 0.00 175.10 174.58 3hwj s THR 1854N 0.89 5.26 -0.08 3.92 2.01 -1.26 0.18 115.64 126.56 3hwj s THR 1854Ca 0.60 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.77 3hwj s THR 1854Cb -0.33 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 3hwj s THR 1854CO 0.31 0.23 0.46 -0.36 -0.69 0.00 0.00 174.62 174.57 3hwj s PHE 1855N 1.76 3.58 -0.19 4.92 0.08 -0.11 -2.10 117.98 125.93 3hwj s PHE 1855Ca 0.11 0.93 -0.03 0.00 0.12 0.00 0.00 56.93 58.05 3hwj s PHE 1855Cb -0.16 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.80 3hwj s PHE 1855CO 0.10 0.31 -0.06 0.99 -0.10 0.00 0.00 175.22 176.46 3hwj s THR 1856N 0.10 3.42 -0.12 0.64 2.01 -0.04 -0.48 115.64 121.16 3hwj s THR 1856Ca 0.25 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 3hwj s THR 1856Cb -0.16 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 3hwj s THR 1856CO 0.11 0.46 0.02 -0.36 -0.69 0.00 0.00 174.62 174.16 3hwj s PHE 1857N 1.02 3.18 0.07 4.92 0.08 0.41 -1.21 117.98 126.45 3hwj s PHE 1857Ca 0.00 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 3hwj s PHE 1857Cb -0.15 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3hwj s PHE 1857CO 0.00 0.32 0.12 -1.54 -0.10 0.00 0.00 175.22 174.02 3hwj s SER 1858N -0.37 0.23 0.30 1.36 1.04 -0.45 -4.66 113.70 111.15 3hwj s SER 1858Ca 0.08 -0.73 -0.29 0.00 0.48 0.00 0.00 55.95 55.49 3hwj s SER 1858Cb -0.12 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 3hwj s SER 1858CO 0.02 -0.66 1.18 -0.89 0.98 0.00 0.00 173.24 173.87 3hwj s THR 1859N -3.70 3.19 0.01 2.02 2.01 -1.26 -0.98 115.64 116.93 3hwj s THR 1859Ca 0.04 1.20 0.05 0.00 0.31 0.00 0.00 61.69 63.29 3hwj s THR 1859Cb 0.05 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 3hwj s THR 1859CO -0.10 0.28 -0.15 0.00 -0.69 0.00 0.00 174.62 173.97 3hwj h SER 1861N 4.72 0.00 0.71 0.00 4.64 -1.95 -3.04 113.55 118.63 3hwj h SER 1861Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hwj h SER 1861Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3hwj h SER 1861CO 0.50 0.24 0.00 0.18 -0.87 0.00 0.00 176.83 176.87 3hwj n LEU 1862N -3.76 0.00 -4.65 5.97 4.77 -1.26 -4.74 117.00 113.32 3hwj n LEU 1862Ca -0.01 0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 56.08 3hwj n LEU 1862Cb 0.34 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 3hwj n LEU 1862CO 0.34 -0.14 0.01 -0.55 -1.33 0.00 0.00 177.39 175.72 3hwj s SER 1863N -2.99 6.30 0.00 -1.43 0.15 -1.15 -4.64 113.70 109.95 3hwj s SER 1863Ca 0.10 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.10 3hwj s SER 1863Cb 0.14 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3hwj s SER 1863CO 0.38 -0.06 0.29 -1.54 1.20 0.00 0.00 173.24 173.51 3hwj n SER 1864N 4.61 0.57 -0.54 5.45 3.41 -0.48 -4.76 113.62 121.88 3hwj n SER 1864Ca -0.10 -0.94 0.14 0.00 -0.26 0.00 0.00 58.87 57.71 3hwj n SER 1864Cb 0.51 0.06 0.47 0.00 -0.26 0.00 0.00 64.21 64.99 3hwj n SER 1864CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hwj n ASN 1865N -0.06 1.68 0.00 4.04 5.15 -0.57 -4.94 115.26 120.56 3hwj n ASN 1865Ca 0.00 -1.56 0.00 0.00 -0.60 0.00 0.00 54.58 52.42 3hwj n ASN 1865Cb 0.08 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 3hwj n ASN 1865CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwj n GLY 1866N 1.19 1.97 3.75 8.20 0.00 -1.26 -4.97 105.19 114.07 3hwj n GLY 1866Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hwj n GLY 1866CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hwj s THR 1867N -2.01 2.36 0.00 2.61 2.01 -1.26 -4.79 115.64 114.56 3hwj s THR 1867Ca 0.00 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3hwj s THR 1867Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3hwj s THR 1867CO 0.00 0.05 0.00 -0.46 -0.69 0.00 0.00 174.62 173.52 3hwj n ASN 1868N 2.25 0.00 0.21 3.53 0.23 -0.38 -4.70 115.26 116.40 3hwj n ASN 1868Ca 0.07 -0.73 0.14 0.00 -0.53 0.00 0.00 54.58 53.53 3hwj n ASN 1868Cb 0.39 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 38.84 3hwj n ASN 1868CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3hwj h GLN 1869N 0.00 0.00 0.08 -3.83 -0.00 -1.90 -3.25 115.11 106.20 3hwj h GLN 1869Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.29 3hwj h GLN 1869Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.44 3hwj h GLN 1869CO 0.00 0.00 -2.10 2.41 -0.00 0.00 0.00 178.83 179.14 3hwj n THR 1870N -4.18 1.68 -3.89 1.86 -1.04 -1.26 -4.12 114.28 103.32 3hwj n THR 1870Ca 0.00 -0.66 -0.09 0.00 -2.04 0.00 0.00 64.05 61.26 3hwj n THR 1870Cb 0.24 -1.52 -0.07 0.00 -1.82 0.00 0.00 70.33 67.16 3hwj n THR 1870CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hwj s ARG 1871N -2.55 1.03 0.00 -2.82 1.70 -1.23 -0.65 118.95 114.43 3hwj s ARG 1871Ca -0.23 -1.04 0.00 0.00 -0.47 0.00 0.00 55.73 53.99 3hwj s ARG 1871Cb 0.07 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 3hwj s ARG 1871CO 0.74 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 175.00 3hwj n GLY 1872N -0.16 0.14 3.99 3.88 0.00 -0.67 -1.26 105.19 111.12 3hwj n GLY 1872Ca -0.11 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 3hwj n GLY 1872CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hwj s GLN 1873N 0.00 2.38 -0.64 1.61 -1.52 -1.26 -0.79 119.66 119.44 3hwj s GLN 1873Ca 0.00 -1.05 -0.00 0.00 -1.95 0.00 0.00 55.36 52.36 3hwj s GLN 1873Cb 0.00 -2.53 0.00 0.00 -0.22 0.00 0.00 33.01 30.26 3hwj s GLN 1873CO 0.00 -0.80 0.61 -0.89 -0.25 0.00 0.00 175.29 173.95 3hwj n ILE 1874N -2.34 -9.00 0.22 1.08 5.41 -1.26 -4.94 119.36 108.54 3hwj n ILE 1874Ca 0.10 -0.21 0.09 0.00 1.00 0.00 0.00 62.75 63.74 3hwj n ILE 1874Cb 0.60 -6.49 0.51 0.00 -0.71 0.00 0.00 39.64 33.55 3hwj n ILE 1874CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hwj h PRO 1875N 0.40 0.00 -3.22 0.38 0.13 -1.86 -3.46 132.00 124.38 3hwj h PRO 1875Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 3hwj h PRO 1875Cb 1.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.94 3hwj h PRO 1875CO 0.26 0.24 -0.30 1.14 -0.23 0.00 0.00 178.00 179.10 3hwj s GLN 1876N -3.85 0.69 -0.11 0.86 -2.07 -1.25 0.11 119.66 114.04 3hwj s GLN 1876Ca -0.01 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 3hwj s GLN 1876Cb 0.12 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 3hwj s GLN 1876CO 0.64 -0.20 -0.12 0.42 -1.32 0.00 0.00 175.29 174.71 3hwj s ILE 1877N -1.83 3.19 -0.25 3.63 1.01 -1.26 -0.95 121.20 124.75 3hwj s ILE 1877Ca -0.10 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 3hwj s ILE 1877Cb -0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3hwj s ILE 1877CO 0.01 0.54 0.10 -0.76 0.00 0.00 0.00 174.94 174.83 3hwj s LEU 1878N 0.06 3.65 0.17 2.97 1.43 0.25 -4.96 118.68 122.26 3hwj s LEU 1878Ca -0.04 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3hwj s LEU 1878Cb -0.14 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 3hwj s LEU 1878CO 0.04 -0.00 0.31 -0.72 0.23 0.00 0.00 176.35 176.21 3hwj s TYR 1879N 1.45 0.31 0.12 0.29 -0.85 -1.26 -0.97 117.35 116.44 3hwj s TYR 1879Ca 0.06 -0.68 0.02 0.00 -0.52 0.00 0.00 57.07 55.95 3hwj s TYR 1879Cb -0.15 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.16 3hwj s TYR 1879CO 0.05 -0.74 -0.05 1.52 -1.52 0.00 0.00 175.55 174.81 3hwj s TYR 1880N -3.95 0.97 -0.08 -3.49 -0.85 -0.94 -4.95 117.35 104.06 3hwj s TYR 1880Ca 0.15 -0.94 -0.15 0.00 -0.52 0.00 0.00 57.07 55.61 3hwj s TYR 1880Cb 0.03 -0.56 -0.05 0.00 0.38 0.00 0.00 41.96 41.76 3hwj s TYR 1880CO -0.01 -0.17 0.37 1.03 -1.52 0.00 0.00 175.55 175.26 3hwj s ARG 1881N -3.86 4.08 0.00 -3.49 0.52 -1.26 -1.04 118.95 113.90 3hwj s ARG 1881Ca 0.15 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 3hwj s ARG 1881Cb 0.05 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3hwj s ARG 1881CO -0.03 0.45 0.50 -1.13 0.02 0.00 0.00 175.30 175.11