#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwj h ARG 1724N 0.00 0.00 -6.25 1.20 0.11 -0.85 -3.43 114.38 105.16 3hwj h ARG 1724Ca 0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 3hwj h ARG 1724Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3hwj h ARG 1724CO 0.00 0.00 -0.34 -0.06 0.10 0.00 0.00 179.97 179.67 3hwj s PHE 1725N -3.70 3.48 -1.22 4.08 0.08 -1.26 -4.51 117.98 114.92 3hwj s PHE 1725Ca -0.01 0.25 0.14 0.00 0.12 0.00 0.00 56.93 57.43 3hwj s PHE 1725Cb 0.09 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.74 3hwj s PHE 1725CO 0.37 0.36 0.76 0.25 -0.10 0.00 0.00 175.22 176.85 3hwj n THR 1726N -0.99 0.00 -3.93 0.64 -2.24 -0.85 -4.97 114.28 101.94 3hwj n THR 1726Ca -0.06 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.29 3hwj n THR 1726Cb 0.55 1.15 -0.09 0.00 -2.10 0.00 0.00 70.33 69.83 3hwj n THR 1726CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hwj s LYS 1727N -1.78 0.59 -0.02 -0.78 1.02 -0.12 -4.96 119.74 113.69 3hwj s LYS 1727Ca 0.11 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.40 3hwj s LYS 1727Cb 0.11 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.64 3hwj s LYS 1727CO 0.38 -0.15 -0.18 0.99 -0.92 0.00 0.00 175.35 175.47 3hwj s THR 1728N -2.62 1.41 0.49 2.17 2.01 -1.26 -1.52 115.64 116.32 3hwj s THR 1728Ca -0.05 -0.74 -0.22 0.00 0.31 0.00 0.00 61.69 60.99 3hwj s THR 1728Cb -0.01 -1.18 -0.08 0.00 0.01 0.00 0.00 72.50 71.23 3hwj s THR 1728CO -0.05 0.40 1.02 -1.54 -0.69 0.00 0.00 174.62 173.77 3hwj n SER 1729N 2.80 1.22 -0.22 3.53 3.41 -0.57 -4.90 113.62 118.88 3hwj n SER 1729Ca -0.16 0.95 -0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3hwj n SER 1729Cb 0.54 -1.39 0.03 0.00 -0.26 0.00 0.00 64.21 63.13 3hwj n SER 1729CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3hwj h GLN 1730N 1.19 1.02 0.00 4.33 4.15 -2.00 -3.46 115.11 120.35 3hwj h GLN 1730Ca -0.47 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 58.70 3hwj h GLN 1730Cb 1.34 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3hwj h GLN 1730CO 0.55 0.93 0.00 0.41 -1.93 0.00 0.00 178.83 178.79 3hwj n GLY 1731N -0.62 6.04 3.09 2.39 0.00 -1.26 -5.10 105.19 109.73 3hwj n GLY 1731Ca 0.04 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 1.64 2.45 0.00 1.61 0.52 -1.26 -4.25 118.95 119.66 3hwj s ARG 1732Ca 0.00 -2.42 0.00 0.00 -0.52 0.00 0.00 55.73 52.79 3hwj s ARG 1732Cb 0.00 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.78 3hwj s ARG 1732CO 0.00 -1.15 0.49 -1.13 0.02 0.00 0.00 175.30 173.53 3hwj n SER 1733N 3.64 0.99 -4.58 0.23 3.41 -1.01 -4.70 113.62 111.61 3hwj n SER 1733Ca 0.06 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.25 3hwj n SER 1733Cb 0.38 0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.07 3.10 0.30 7.33 -0.11 -0.35 -4.89 118.94 124.24 3hwj s TRP 1734Ca 0.00 0.51 -0.29 0.00 1.22 0.00 0.00 56.10 57.55 3hwj s TRP 1734Cb 0.00 -3.44 -0.10 0.00 -1.50 0.00 0.00 33.47 28.44 3hwj s TRP 1734CO 0.01 -0.77 1.14 -0.80 -4.62 0.00 0.00 176.95 171.91 3hwj s ASN 1735N 1.88 7.10 0.42 5.86 -0.87 -1.26 -1.13 114.94 126.94 3hwj s ASN 1735Ca 0.31 2.35 0.29 0.00 -1.57 0.00 0.00 52.86 54.24 3hwj s ASN 1735Cb -0.13 -2.63 1.12 0.00 -0.02 0.00 0.00 41.25 39.59 3hwj s ASN 1735CO 0.18 -0.27 1.85 0.71 -2.57 0.00 0.00 177.10 176.99 3hwj h THR 1736N 3.00 0.00 -2.91 1.60 1.35 -1.82 -3.46 112.91 110.66 3hwj h THR 1736Ca -0.47 -0.45 -0.39 0.00 -0.55 0.00 0.00 66.41 64.55 3hwj h THR 1736Cb 1.22 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3hwj h THR 1736CO 0.66 0.00 -0.51 0.61 -0.25 0.00 0.00 175.52 176.03 3hwj n GLY 1737N 0.19 -0.44 4.12 5.82 0.00 -1.26 -2.81 105.19 110.81 3hwj n GLY 1737Ca 0.02 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.79 -1.54 0.00 1.61 5.15 -1.26 -0.56 115.26 116.87 3hwj n ASN 1738Ca -0.22 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 3hwj n ASN 1738Cb 0.67 -2.77 0.00 0.00 -0.53 0.00 0.00 39.78 37.16 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 -1.78 0.15 3.69 8.20 0.00 -0.43 -4.95 105.19 110.07 3hwj n GLY 1739Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.29 6.57 0.09 1.61 0.15 0.28 -4.42 113.70 115.68 3hwj s SER 1740Ca 0.00 2.54 -0.31 0.00 0.70 0.00 0.00 55.95 58.88 3hwj s SER 1740Cb 0.00 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 3hwj s SER 1740CO 0.00 -0.91 1.67 -2.16 1.20 0.00 0.00 173.24 173.04 3hwj s PRO 1741N 2.67 4.19 0.05 5.44 0.04 -1.26 -4.46 135.00 141.67 3hwj s PRO 1741Ca 0.75 2.38 -0.19 0.00 0.04 0.00 0.00 61.00 63.99 3hwj s PRO 1741Cb -0.41 -3.54 -0.06 0.00 0.04 0.00 0.00 34.50 30.52 3hwj s PRO 1741CO 0.33 -0.74 0.55 -0.51 0.04 0.00 0.00 177.00 176.67 3hwj s ASP 1742N 2.30 7.01 0.01 6.66 1.01 0.01 -0.07 116.67 133.61 3hwj s ASP 1742Ca 0.75 1.20 -0.11 0.00 0.71 0.00 0.00 52.55 55.10 3hwj s ASP 1742Cb -0.41 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3hwj s ASP 1742CO 0.33 0.26 0.22 0.00 0.21 0.00 0.00 175.17 176.19 3hwj s ALA 1743N -0.99 -0.49 -0.00 5.23 0.00 -1.26 0.92 121.76 125.16 3hwj s ALA 1743Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.17 3hwj s ALA 1743Cb -0.19 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3hwj s ALA 1743CO 0.18 -0.29 0.05 -1.50 0.00 0.00 0.00 175.76 174.19 3hwj s ILE 1744N -1.88 0.06 0.02 0.00 1.10 -0.13 -4.55 121.20 115.83 3hwj s ILE 1744Ca -0.10 -0.47 0.01 0.00 -0.51 0.00 0.00 60.65 59.58 3hwj s ILE 1744Cb -0.04 -0.23 -0.04 0.00 0.15 0.00 0.00 42.46 42.30 3hwj s ILE 1744CO 0.00 -0.26 0.08 0.00 -2.11 0.00 0.00 174.94 172.65 3hwj s PHE 1746N -1.26 -0.18 0.17 0.00 -0.12 0.12 -0.89 117.98 115.82 3hwj s PHE 1746Ca 0.25 0.05 -0.13 0.00 -0.05 0.00 0.00 56.93 57.05 3hwj s PHE 1746Cb -0.12 0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3hwj s PHE 1746CO 0.17 -0.56 0.38 0.00 -0.05 0.00 0.00 175.22 175.15 3hwj s ALA 1747N -2.74 -0.43 0.16 1.99 0.00 -0.58 0.31 121.76 120.46 3hwj s ALA 1747Ca -0.04 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.41 3hwj s ALA 1747Cb -0.00 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3hwj s ALA 1747CO -0.04 -0.70 -0.11 0.14 0.00 0.00 0.00 175.76 175.05 3hwj s VAL 1748N -3.91 1.27 -0.13 0.00 -7.23 -1.26 -0.94 120.40 108.20 3hwj s VAL 1748Ca 0.12 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 3hwj s VAL 1748Cb 0.02 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 3hwj s VAL 1748CO -0.03 -0.72 -0.10 -2.24 -0.31 0.00 0.00 175.10 171.70 3hwj h ASP 1749N 2.75 0.00 -2.90 4.85 3.04 -1.95 0.70 116.42 122.90 3hwj h ASP 1749Ca -0.37 -0.04 -0.59 0.00 -3.24 0.00 0.00 57.03 52.80 3hwj h ASP 1749Cb 1.20 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 39.62 3hwj h ASP 1749CO 0.63 0.73 0.09 0.29 -2.04 0.00 0.00 179.24 178.93 3hwj n LYS 1750N -4.65 1.24 -2.11 4.15 5.02 -1.26 -4.40 118.16 116.16 3hwj n LYS 1750Ca -0.06 0.45 -0.28 0.00 -2.02 0.00 0.00 58.31 56.39 3hwj n LYS 1750Cb 0.22 -1.95 0.05 0.00 -0.02 0.00 0.00 35.03 33.33 3hwj n LYS 1750CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hwj s PRO 1751N -1.91 2.70 -0.70 1.97 0.04 -1.26 -4.50 135.00 131.33 3hwj s PRO 1751Ca 0.63 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.84 3hwj s PRO 1751Cb -0.58 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3hwj s PRO 1751CO 0.57 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3hwj n GLY 1752N -2.88 0.46 3.74 0.56 0.00 -1.26 -4.54 105.19 101.27 3hwj n GLY 1752Ca 0.06 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.33 5.09 -0.14 -0.61 1.01 -1.26 0.20 121.20 123.17 3hwj s ILE 1753Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 60.65 61.77 3hwj s ILE 1753Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3hwj s ILE 1753CO 0.00 0.34 -0.18 -0.69 0.00 0.00 0.00 174.94 174.42 3hwj s VAL 1754N 0.40 1.76 -0.01 2.92 1.01 -0.65 0.16 120.40 126.00 3hwj s VAL 1754Ca 0.29 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3hwj s VAL 1754Cb -0.16 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 3hwj s VAL 1754CO 0.13 0.49 0.45 0.68 0.00 0.00 0.00 175.10 176.86 3hwj s VAL 1755N 1.08 5.00 -0.02 2.92 -7.23 -0.39 -1.69 120.40 120.07 3hwj s VAL 1755Ca -0.03 0.94 0.07 0.00 -1.81 0.00 0.00 61.98 61.15 3hwj s VAL 1755Cb -0.14 -3.77 -0.10 0.00 0.56 0.00 0.00 36.38 32.92 3hwj s VAL 1755CO -0.05 0.52 0.12 1.33 -0.31 0.00 0.00 175.10 176.71 3hwj n VAL 1756N 2.20 0.11 -2.42 1.32 0.24 0.46 -1.28 118.33 118.96 3hwj n VAL 1756Ca -0.12 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3hwj n VAL 1756Cb 0.52 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 2.22 -0.58 3.10 7.63 0.00 -1.05 -0.20 105.19 116.31 3hwj n GLY 1757Ca -0.04 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.29 0.77 -0.10 1.61 0.08 -0.31 0.18 117.98 116.92 3hwj s PHE 1758Ca 0.00 -0.62 -0.12 0.00 0.12 0.00 0.00 56.93 56.32 3hwj s PHE 1758Cb 0.00 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.95 3hwj s PHE 1758CO 0.00 -0.09 0.27 0.00 -0.10 0.00 0.00 175.22 175.30 3hwj s ALA 1759N -2.02 3.72 0.16 5.36 0.00 -0.09 0.24 121.76 129.13 3hwj s ALA 1759Ca -0.03 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.55 3hwj s ALA 1759Cb -0.06 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3hwj s ALA 1759CO -0.01 0.38 -0.16 0.14 0.00 0.00 0.00 175.76 176.12 3hwj s VAL 1760N -0.48 1.61 0.18 0.00 -7.23 0.44 -3.25 120.40 111.66 3hwj s VAL 1760Ca 0.18 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.15 3hwj s VAL 1760Cb -0.14 -1.79 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 3hwj s VAL 1760CO 0.06 -0.44 0.83 -0.31 -0.31 0.00 0.00 175.10 174.94 3hwj s TYR 1761N -2.37 3.92 0.00 2.82 2.02 -1.26 -0.29 117.35 122.20 3hwj s TYR 1761Ca 0.15 1.72 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 3hwj s TYR 1761Cb -0.04 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 3hwj s TYR 1761CO 0.05 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 3hwj n GLY 1762N 1.63 5.13 0.00 0.71 0.00 0.26 -4.78 105.19 108.14 3hwj n GLY 1762Ca -0.04 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 5.00 2.56 2.85 -0.02 0.00 -1.26 -1.35 105.19 112.97 3hwj n GLY 1763Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 1.08 -0.02 7.00 -0.02 0.00 -1.23 -4.36 105.19 107.64 3hwj n GLY 1764Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.47 -0.15 3.72 -0.02 0.00 -1.26 -3.68 105.19 102.32 3hwj n GLY 1765Ca -0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 4.31 -0.17 -0.61 -1.09 -1.26 -4.51 121.20 117.87 3hwj s ILE 1766Ca 0.00 1.76 0.01 0.00 -2.23 0.00 0.00 60.65 60.19 3hwj s ILE 1766Cb 0.00 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3hwj s ILE 1766CO 0.00 0.19 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.71 3hwj s HIS 1767N 0.59 2.76 0.11 3.97 3.76 -0.32 -4.66 115.29 121.50 3hwj s HIS 1767Ca 0.53 -1.53 -0.25 0.00 -0.15 0.00 0.00 55.06 53.65 3hwj s HIS 1767Cb -0.26 -1.90 -0.07 0.00 1.11 0.00 0.00 32.58 31.46 3hwj s HIS 1767CO 0.30 -0.75 0.78 -1.83 -0.85 0.00 0.00 174.74 172.39 3hwj s GLU 1768N 1.18 4.54 0.05 1.40 1.03 -1.19 -1.75 118.70 123.95 3hwj s GLU 1768Ca 0.02 1.13 -0.08 0.00 0.03 0.00 0.00 54.97 56.07 3hwj s GLU 1768Cb -0.14 -3.31 -0.00 0.00 -0.80 0.00 0.00 34.13 29.88 3hwj s GLU 1768CO -0.10 0.43 0.15 1.52 -1.33 0.00 0.00 175.26 175.93 3hwj s TYR 1769N -0.61 0.14 -0.09 4.83 -0.85 -0.39 -0.77 117.35 119.61 3hwj s TYR 1769Ca 0.37 -0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 3hwj s TYR 1769Cb -0.22 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.05 3hwj s TYR 1769CO 0.25 -0.43 -0.13 -2.00 -1.52 0.00 0.00 175.55 171.72 3hwj s GLU 1770N -2.85 1.92 -0.03 -3.49 2.12 -0.10 -1.86 118.70 114.41 3hwj s GLU 1770Ca -0.03 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 54.90 3hwj s GLU 1770Cb 0.00 -1.64 -0.01 0.00 0.26 0.00 0.00 34.13 32.74 3hwj s GLU 1770CO -0.06 -0.04 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.23 3hwj s LEU 1771N 0.90 2.03 -0.07 2.70 2.96 -0.24 -1.05 118.68 125.91 3hwj s LEU 1771Ca -0.09 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3hwj s LEU 1771Cb -0.15 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.39 3hwj s LEU 1771CO 0.01 0.26 0.17 -0.70 -1.32 0.00 0.00 176.35 174.77 3hwj s GLU 1772N -0.42 0.17 -0.07 1.98 2.12 -0.39 -0.76 118.70 121.32 3hwj s GLU 1772Ca 0.06 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.71 3hwj s GLU 1772Cb -0.10 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 3hwj s GLU 1772CO 0.00 -0.08 -0.09 0.08 -0.54 0.00 0.00 175.26 174.63 3hwj s VAL 1773N 0.55 3.55 0.15 3.70 1.01 0.38 -1.63 120.40 128.11 3hwj s VAL 1773Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3hwj s VAL 1773Cb -0.05 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3hwj s VAL 1773CO -0.03 0.59 -0.09 -0.76 0.00 0.00 0.00 175.10 174.82 3hwj s LEU 1774N -0.72 2.49 0.07 3.92 1.02 0.80 -0.94 118.68 125.32 3hwj s LEU 1774Ca 0.11 -1.03 0.05 0.00 0.02 0.00 0.00 54.13 53.28 3hwj s LEU 1774Cb -0.11 -0.30 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 3hwj s LEU 1774CO 0.01 -0.37 -0.15 0.54 0.02 0.00 0.00 176.35 176.41 3hwj s VAL 1775N -3.38 1.16 -0.33 -1.59 0.11 -0.95 -0.70 120.40 114.72 3hwj s VAL 1775Ca 0.17 -1.29 -0.27 0.00 -2.93 0.00 0.00 61.98 57.66 3hwj s VAL 1775Cb 0.03 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 3hwj s VAL 1775CO 0.01 -0.18 2.20 -0.62 -3.33 0.00 0.00 175.10 173.18 3hwj s ASP 1776N -1.68 5.20 -0.37 3.54 2.15 -0.53 -1.46 116.67 123.53 3hwj s ASP 1776Ca -0.01 1.51 0.06 0.00 0.43 0.00 0.00 52.55 54.54 3hwj s ASP 1776Cb -0.10 -2.51 0.52 0.00 -0.30 0.00 0.00 42.92 40.53 3hwj s ASP 1776CO 0.02 -2.22 1.58 -0.90 -0.17 0.00 0.00 175.17 173.48 3hwj n ASP 1777N 12.80 3.67 -1.59 -0.34 3.85 -1.26 -4.94 116.55 128.73 3hwj n ASP 1777Ca 0.30 -3.76 -0.01 0.00 -0.71 0.00 0.00 54.79 50.61 3hwj n ASP 1777Cb 0.48 -0.68 -0.00 0.00 -1.35 0.00 0.00 41.12 39.57 3hwj n ASP 1777CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hwj n SER 1778N -1.05 -0.59 0.04 -1.12 3.41 -1.26 -4.82 113.62 108.23 3hwj n SER 1778Ca 0.43 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 3hwj n SER 1778Cb 1.09 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3hwj n SER 1778CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hwj n ARG 1789N -1.61 0.00 -4.08 4.33 5.12 -1.26 -5.20 116.66 113.95 3hwj n ARG 1789Ca -0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 3hwj n ARG 1789Cb 0.21 -0.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.94 3hwj n ARG 1789CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3hwj s TRP 1790N -2.00 3.38 -0.08 -1.55 0.52 -1.26 -4.44 118.94 113.51 3hwj s TRP 1790Ca 0.00 0.33 0.03 0.00 0.02 0.00 0.00 56.10 56.48 3hwj s TRP 1790Cb 0.00 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 3hwj s TRP 1790CO 0.00 0.54 -0.16 0.95 0.02 0.00 0.00 176.95 178.31 3hwj s THR 1791N -0.75 1.41 0.04 2.01 -4.23 -0.54 -4.87 115.64 108.72 3hwj s THR 1791Ca 0.12 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 3hwj s THR 1791Cb -0.12 -1.26 -0.07 0.00 1.34 0.00 0.00 72.50 72.40 3hwj s THR 1791CO 0.03 0.41 1.53 -0.55 -0.54 0.00 0.00 174.62 175.50 3hwj s SER 1792N 0.57 6.72 -0.20 3.99 0.15 -1.26 -2.24 113.70 121.43 3hwj s SER 1792Ca -0.16 2.32 0.16 0.00 0.70 0.00 0.00 55.95 58.97 3hwj s SER 1792Cb -0.16 -2.56 -0.24 0.00 -1.71 0.00 0.00 66.02 61.34 3hwj s SER 1792CO 0.05 -0.80 0.06 0.18 1.20 0.00 0.00 173.24 173.93 3hwj n LEU 1793N 5.40 0.42 -3.64 3.45 4.77 -0.12 -4.97 117.00 122.31 3hwj n LEU 1793Ca 0.14 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 3hwj n LEU 1793Cb 0.42 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 3hwj n LEU 1793CO 0.61 0.55 0.65 -0.70 -1.33 0.00 0.00 177.39 177.17 3hwj s GLU 1794N -2.50 0.54 -0.02 3.23 2.56 -1.19 -5.01 118.70 116.31 3hwj s GLU 1794Ca -0.13 0.72 -0.00 0.00 0.00 0.00 0.00 54.97 55.56 3hwj s GLU 1794Cb 0.06 0.23 0.03 0.00 2.00 0.00 0.00 34.13 36.45 3hwj s GLU 1794CO 0.80 -0.08 0.04 -1.17 -0.56 0.00 0.00 175.26 174.29 3hwj s LEU 1795N 0.58 0.99 0.18 2.70 2.96 -1.26 -0.47 118.68 124.36 3hwj s LEU 1795Ca -0.01 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 3hwj s LEU 1795Cb -0.05 -0.05 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 3hwj s LEU 1795CO -0.08 -0.14 -0.17 0.68 -1.32 0.00 0.00 176.35 175.32 3hwj s VAL 1796N 1.16 1.83 0.17 1.68 -7.23 0.06 -4.89 120.40 113.18 3hwj s VAL 1796Ca -0.08 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 3hwj s VAL 1796Cb -0.13 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3hwj s VAL 1796CO -0.03 -0.39 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.78 3hwj s LYS 1797N -3.03 1.13 0.00 4.82 1.02 -1.26 -1.08 119.74 121.33 3hwj s LYS 1797Ca 0.18 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.65 3hwj s LYS 1797Cb -0.04 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 3hwj s LYS 1797CO 0.07 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 3hwj n GLY 1798N -0.25 -1.10 3.25 -3.33 0.00 -0.78 -4.99 105.19 97.99 3hwj n GLY 1798Ca -0.08 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.00 1.38 0.12 2.61 -4.23 -1.26 -1.27 115.64 109.99 3hwj s THR 1799Ca 0.00 -1.74 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 3hwj s THR 1799Cb 0.00 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.26 3hwj s THR 1799CO 0.00 -0.41 0.20 -0.72 -0.54 0.00 0.00 174.62 173.15 3hwj s TYR 1800N -2.14 0.33 -0.18 3.99 -0.85 -0.72 -5.00 117.35 112.77 3hwj s TYR 1800Ca 0.10 -0.73 -0.16 0.00 -0.52 0.00 0.00 57.07 55.76 3hwj s TYR 1800Cb -0.05 -0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.23 3hwj s TYR 1800CO 0.03 -0.60 0.47 -0.08 -1.52 0.00 0.00 175.55 173.86 3hwj s THR 1801N -3.92 -0.00 -0.22 -3.49 -1.32 -1.26 -1.17 115.64 104.25 3hwj s THR 1801Ca 0.11 0.01 0.16 0.00 -1.21 0.00 0.00 61.69 60.77 3hwj s THR 1801Cb 0.05 -0.67 0.45 0.00 -1.51 0.00 0.00 72.50 70.82 3hwj s THR 1801CO -0.06 0.01 1.34 0.35 -2.21 0.00 0.00 174.62 174.05 3hwj n THR 1802N 3.07 2.08 0.10 5.08 -2.24 -1.26 -4.80 114.28 116.31 3hwj n THR 1802Ca -0.15 -1.88 -0.15 0.00 -2.27 0.00 0.00 64.05 59.60 3hwj n THR 1802Cb 0.57 -0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.38 0.40 -0.51 3.42 5.19 -1.87 -2.75 116.42 121.68 3hwj h ASP 1803Ca 0.00 -0.42 -0.05 0.00 -0.62 0.00 0.00 57.03 55.93 3hwj h ASP 1803Cb 1.27 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.62 3hwj h ASP 1803CO 0.15 1.33 0.07 0.47 -3.12 0.00 0.00 179.24 178.14 3hwj n ASP 1804N -3.53 4.68 -4.38 6.45 8.00 -1.26 -4.91 116.55 121.60 3hwj n ASP 1804Ca -0.08 -2.82 -0.29 0.00 0.71 0.00 0.00 54.79 52.31 3hwj n ASP 1804Cb 1.01 -0.67 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 3hwj n ASP 1804CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hwj s SER 1805N -0.65 3.26 0.34 -2.24 0.15 -1.04 -5.02 113.70 108.50 3hwj s SER 1805Ca 0.44 -0.73 0.26 0.00 0.70 0.00 0.00 55.95 56.63 3hwj s SER 1805Cb 0.34 -0.22 1.06 0.00 -1.71 0.00 0.00 66.02 65.49 3hwj s SER 1805CO 0.12 0.18 1.79 -0.65 1.20 0.00 0.00 173.24 175.88 3hwj h PRO 1806N 4.01 0.00 -6.99 5.44 0.11 -1.91 -3.44 132.00 129.21 3hwj h PRO 1806Ca -0.50 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.15 3hwj h PRO 1806Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hwj h PRO 1806CO 0.40 0.00 0.35 0.45 -0.21 0.00 0.00 178.00 178.99 3hwj s SER 1807N -4.69 7.03 0.00 -2.05 0.15 -1.26 -4.96 113.70 107.92 3hwj s SER 1807Ca 0.04 1.78 0.25 0.00 0.70 0.00 0.00 55.95 58.71 3hwj s SER 1807Cb 0.09 -2.56 0.56 0.00 -1.71 0.00 0.00 66.02 62.40 3hwj s SER 1807CO 0.45 -0.29 1.46 0.47 1.20 0.00 0.00 173.24 176.53 3hwj n ASP 1808N -0.21 2.46 -4.42 5.45 8.00 -1.26 -4.81 116.55 121.77 3hwj n ASP 1808Ca 0.05 -1.82 -0.28 0.00 0.71 0.00 0.00 54.79 53.46 3hwj n ASP 1808Cb 0.52 -0.06 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 3hwj n ASP 1808CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hwj s ILE 1809N -1.88 2.35 -0.07 0.53 -4.36 -1.26 -0.57 121.20 115.93 3hwj s ILE 1809Ca 0.33 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 3hwj s ILE 1809Cb 0.20 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.82 3hwj s ILE 1809CO 0.31 -0.04 -0.19 0.00 0.24 0.00 0.00 174.94 175.26 3hwj s ALA 1810N -1.44 1.75 0.11 2.27 0.00 0.60 -4.91 121.76 120.13 3hwj s ALA 1810Ca 0.18 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 3hwj s ALA 1810Cb -0.09 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 3hwj s ALA 1810CO 0.09 0.27 0.91 -1.21 0.00 0.00 0.00 175.76 175.82 3hwj s GLU 1811N 0.23 4.66 -0.13 0.00 2.02 -1.26 -0.42 118.70 123.80 3hwj s GLU 1811Ca -0.10 1.36 0.03 0.00 0.02 0.00 0.00 54.97 56.28 3hwj s GLU 1811Cb -0.15 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.73 3hwj s GLU 1811CO 0.05 0.26 -0.21 0.42 0.02 0.00 0.00 175.26 175.79 3hwj s ILE 1812N -0.13 1.96 0.13 -1.63 1.01 0.14 -4.96 121.20 117.72 3hwj s ILE 1812Ca 0.44 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.20 3hwj s ILE 1812Cb -0.23 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3hwj s ILE 1812CO 0.28 0.53 0.16 -0.13 0.00 0.00 0.00 174.94 175.78 3hwj s ARG 1813N 0.75 3.04 0.26 2.79 0.52 -1.26 -1.16 118.95 123.89 3hwj s ARG 1813Ca -0.09 -0.74 -0.24 0.00 -0.52 0.00 0.00 55.73 54.14 3hwj s ARG 1813Cb -0.16 -2.76 -0.09 0.00 0.52 0.00 0.00 34.95 32.47 3hwj s ARG 1813CO 0.00 0.52 0.84 -0.51 0.02 0.00 0.00 175.30 176.17 3hwj s LEU 1814N -2.92 4.39 0.01 2.53 1.43 0.72 -4.95 118.68 119.89 3hwj s LEU 1814Ca 0.32 1.66 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 3hwj s LEU 1814Cb -0.11 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 3hwj s LEU 1814CO 0.24 0.02 1.04 0.44 0.23 0.00 0.00 176.35 178.32 3hwj h ASP 1815N 3.46 -0.31 -3.55 2.29 3.32 -1.90 -3.41 116.42 116.32 3hwj h ASP 1815Ca -0.47 0.01 -0.52 0.00 0.02 0.00 0.00 57.03 56.07 3hwj h ASP 1815Cb 1.19 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3hwj h ASP 1815CO 0.65 -0.20 0.22 -0.54 -1.72 0.00 0.00 179.24 177.65 3hwj s LYS 1816N -3.59 4.62 0.47 3.56 -0.14 -1.26 -5.07 119.74 118.33 3hwj s LYS 1816Ca -0.05 1.23 -0.19 0.00 -1.36 0.00 0.00 55.97 55.59 3hwj s LYS 1816Cb 0.01 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.76 3hwj s LYS 1816CO 0.16 0.47 0.97 0.08 -0.76 0.00 0.00 175.35 176.27 3hwj s VAL 1817N -0.82 4.37 -0.34 3.17 1.01 -1.26 -4.99 120.40 121.54 3hwj s VAL 1817Ca 0.38 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.73 3hwj s VAL 1817Cb -0.23 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.62 3hwj s VAL 1817CO 0.27 -0.45 0.06 -0.69 0.00 0.00 0.00 175.10 174.29 3hwj s VAL 1818N -2.33 2.49 0.46 2.92 1.01 -0.40 -4.97 120.40 119.59 3hwj s VAL 1818Ca 0.61 -2.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.22 3hwj s VAL 1818Cb -0.10 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 3hwj s VAL 1818CO 0.21 -0.52 1.12 -2.84 0.00 0.00 0.00 175.10 173.07 3hwj s PRO 1819N 0.99 3.79 -0.22 2.72 0.02 -1.26 -1.26 135.00 139.78 3hwj s PRO 1819Ca 0.07 1.65 -0.03 0.00 0.02 0.00 0.00 61.00 62.71 3hwj s PRO 1819Cb -0.20 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 31.98 3hwj s PRO 1819CO -0.07 -0.50 -0.07 -0.51 -0.33 0.00 0.00 177.00 175.53 3hwj s LEU 1820N -3.11 2.83 0.28 -5.54 1.02 0.12 -4.92 118.68 109.36 3hwj s LEU 1820Ca 0.64 -0.51 -0.29 0.00 0.02 0.00 0.00 54.13 53.98 3hwj s LEU 1820Cb -0.25 -1.69 -0.10 0.00 0.02 0.00 0.00 46.19 44.17 3hwj s LEU 1820CO 0.30 -0.04 1.40 -1.59 0.02 0.00 0.00 176.35 176.45 3hwj s LYS 1821N 1.43 4.28 0.59 1.70 -2.85 -1.26 -4.33 119.74 119.29 3hwj s LYS 1821Ca 0.05 2.29 -0.17 0.00 -1.00 0.00 0.00 55.97 57.14 3hwj s LYS 1821Cb -0.14 -3.09 -0.04 0.00 -2.06 0.00 0.00 37.83 32.50 3hwj s LYS 1821CO -0.05 -0.36 1.10 -2.00 0.10 0.00 0.00 175.35 174.14 3hwj s GLU 1822N -0.91 3.19 -1.08 1.78 2.12 -1.26 -3.74 118.70 118.79 3hwj s GLU 1822Ca 0.56 1.44 -0.12 0.00 0.36 0.00 0.00 54.97 57.21 3hwj s GLU 1822Cb -0.42 -2.00 0.12 0.00 0.26 0.00 0.00 34.13 32.10 3hwj s GLU 1822CO 0.48 -0.95 0.30 0.09 -0.54 0.00 0.00 175.26 174.63 3hwj n ASN 1823N -1.79 -0.81 -4.31 -1.70 5.03 0.24 -4.95 115.26 106.98 3hwj n ASN 1823Ca 0.10 -0.74 -0.31 0.00 0.87 0.00 0.00 54.58 54.50 3hwj n ASN 1823Cb 0.52 -0.94 -0.16 0.00 -1.02 0.00 0.00 39.78 38.18 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 -2.57 2.13 0.01 2.41 1.01 -1.25 -4.99 120.40 117.16 3hwj s VAL 1824Ca 0.41 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3hwj s VAL 1824Cb -0.24 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3hwj s VAL 1824CO 0.60 0.58 1.16 -1.59 0.00 0.00 0.00 175.10 175.85 3hwj s LYS 1825N -0.45 4.42 0.25 2.72 0.00 -1.26 -4.47 119.74 120.95 3hwj s LYS 1825Ca 0.05 1.67 0.09 0.00 0.00 0.00 0.00 55.97 57.79 3hwj s LYS 1825Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 37.83 34.23 3hwj s LYS 1825CO 0.01 -0.30 -0.02 0.71 0.00 0.00 0.00 175.35 175.75 3hwj s TYR 1826N 1.50 2.68 0.06 1.78 2.02 0.15 -1.45 117.35 124.09 3hwj s TYR 1826Ca 0.56 -0.22 0.06 0.00 -0.37 0.00 0.00 57.07 57.11 3hwj s TYR 1826Cb -0.26 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 3hwj s TYR 1826CO 0.26 0.60 -0.18 0.00 -1.57 0.00 0.00 175.55 174.67 3hwj s ALA 1827N -2.21 1.50 -0.04 3.71 0.00 0.12 0.11 121.76 124.95 3hwj s ALA 1827Ca 0.30 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3hwj s ALA 1827Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3hwj s ALA 1827CO 0.19 0.30 -0.18 0.54 0.00 0.00 0.00 175.76 176.60 3hwj s VAL 1828N -0.98 1.53 -0.03 0.00 0.11 -0.24 -0.14 120.40 120.65 3hwj s VAL 1828Ca 0.04 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 3hwj s VAL 1828Cb -0.09 -1.30 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 3hwj s VAL 1828CO 0.02 0.44 -0.02 -0.60 -3.33 0.00 0.00 175.10 171.61 3hwj s ARG 1829N -0.06 0.41 -0.16 1.54 3.52 -0.65 -0.96 118.95 122.60 3hwj s ARG 1829Ca -0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 3hwj s ARG 1829Cb -0.11 -0.52 0.03 0.00 -1.56 0.00 0.00 34.95 32.79 3hwj s ARG 1829CO 0.02 -0.08 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.14 3hwj s LEU 1830N 0.78 1.76 -0.29 -0.88 2.96 0.26 -1.27 118.68 122.01 3hwj s LEU 1830Ca -0.08 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.16 3hwj s LEU 1830Cb -0.12 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 3hwj s LEU 1830CO -0.01 -0.10 0.12 -0.13 -1.32 0.00 0.00 176.35 174.91 3hwj s ARG 1831N 1.51 3.43 0.01 1.98 0.52 -0.22 -0.81 118.95 125.37 3hwj s ARG 1831Ca 0.03 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.64 3hwj s ARG 1831Cb -0.14 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 3hwj s ARG 1831CO -0.09 -0.34 -0.13 1.21 0.02 0.00 0.00 175.30 175.97 3hwj s ASN 1832N 1.60 1.55 -0.00 0.23 2.47 -1.26 -0.93 114.94 118.61 3hwj s ASN 1832Ca 0.05 -0.31 0.07 0.00 0.42 0.00 0.00 52.86 53.09 3hwj s ASN 1832Cb -0.16 -0.15 -0.02 0.00 -1.45 0.00 0.00 41.25 39.47 3hwj s ASN 1832CO 0.05 0.11 -0.21 -0.31 -3.72 0.00 0.00 177.10 173.02 3hwj s TYR 1833N -0.49 1.86 -1.00 0.43 2.02 0.05 -1.32 117.35 118.90 3hwj s TYR 1833Ca 0.04 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 3hwj s TYR 1833Cb -0.06 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.33 3hwj s TYR 1833CO 0.00 0.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.39 3hwj n GLY 1834N 2.38 0.59 3.90 0.71 0.00 -1.26 -3.20 105.19 108.31 3hwj n GLY 1834Ca -0.16 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.37 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 4.68 0.27 1.61 0.01 -1.24 -4.41 113.70 110.63 3hwj s SER 1835Ca 0.00 0.76 -0.30 0.00 1.31 0.00 0.00 55.95 57.72 3hwj s SER 1835Cb 0.00 -1.32 -0.13 0.00 0.21 0.00 0.00 66.02 64.78 3hwj s SER 1835CO 0.00 -1.77 1.45 0.54 0.41 0.00 0.00 173.24 173.86 3hwj n ARG 1836N -3.20 2.26 -3.79 12.44 1.74 -1.26 -4.61 116.66 120.24 3hwj n ARG 1836Ca 0.08 0.80 -0.25 0.00 -0.77 0.00 0.00 57.85 57.71 3hwj n ARG 1836Cb 0.60 -2.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.56 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 -0.23 1.75 0.93 0.55 -4.23 -0.28 -3.54 115.64 110.59 3hwj s THR 1837Ca 0.65 -1.44 -0.12 0.00 -1.18 0.00 0.00 61.69 59.60 3hwj s THR 1837Cb -0.59 -2.19 0.15 0.00 1.34 0.00 0.00 72.50 71.21 3hwj s THR 1837CO 0.52 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.71 3hwj s ALA 1838N -2.75 1.56 0.20 3.99 0.00 -0.46 -1.21 121.76 123.10 3hwj s ALA 1838Ca 0.38 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 3hwj s ALA 1838Cb -0.03 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3hwj s ALA 1838CO 0.23 -2.41 0.22 0.54 0.00 0.00 0.00 175.76 174.34 3hwj s ASN 1839N -3.82 0.10 0.22 0.00 4.22 -1.26 -4.67 114.94 109.73 3hwj s ASN 1839Ca 0.64 -1.24 0.06 0.00 -2.14 0.00 0.00 52.86 50.18 3hwj s ASN 1839Cb -0.16 0.43 -0.03 0.00 1.28 0.00 0.00 41.25 42.76 3hwj s ASN 1839CO 0.55 -0.91 0.23 -0.83 -2.04 0.00 0.00 177.10 174.10 3hwj s GLY 1840N -3.11 1.44 0.00 0.45 0.00 0.92 -1.51 107.32 105.52 3hwj s GLY 1840Ca 0.33 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3hwj s GLY 1840CO 0.10 -1.33 0.00 2.09 0.00 0.00 0.00 173.10 173.96 3hwj n ASP 1841N -1.02 0.00 -2.03 1.64 5.75 -0.57 -1.09 116.55 119.22 3hwj n ASP 1841Ca -0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.59 3hwj n ASP 1841Cb 0.57 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.70 3hwj n ASP 1841CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwj n GLY 1842N 0.00 0.20 0.00 6.12 0.00 -0.97 -0.95 105.19 109.59 3hwj n GLY 1842Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.21 -1.59 0.81 -0.02 0.00 -0.49 -2.65 105.19 100.04 3hwj n GLY 1843Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3hwj n GLY 1843CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hwj n THR 1845N -0.51 0.00 -4.82 2.61 -1.04 -1.26 -4.66 114.28 104.60 3hwj n THR 1845Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 3hwj n THR 1845Cb 0.00 -0.54 -0.14 0.00 -1.82 0.00 0.00 70.33 67.82 3hwj n THR 1845CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hwj s THR 1846N -1.70 2.14 -0.29 12.58 -4.23 -1.26 0.11 115.64 122.99 3hwj s THR 1846Ca 0.00 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 3hwj s THR 1846Cb 0.00 -1.84 0.10 0.00 1.34 0.00 0.00 72.50 72.10 3hwj s THR 1846CO 0.00 0.32 0.12 -0.69 -0.54 0.00 0.00 174.62 173.82 3hwj s VAL 1847N -0.85 0.26 -0.30 2.29 1.01 0.99 -4.98 120.40 118.83 3hwj s VAL 1847Ca 0.12 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 3hwj s VAL 1847Cb -0.10 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.09 3hwj s VAL 1847CO 0.03 -0.69 1.17 -1.58 0.00 0.00 0.00 175.10 174.03 3hwj s GLN 1848N 1.94 4.03 0.72 2.72 0.74 -1.26 -1.39 119.66 127.16 3hwj s GLN 1848Ca 0.09 1.19 -0.11 0.00 0.05 0.00 0.00 55.36 56.58 3hwj s GLN 1848Cb -0.16 -3.79 0.03 0.00 1.10 0.00 0.00 33.01 30.18 3hwj s GLN 1848CO -0.32 -0.95 1.07 0.00 -0.55 0.00 0.00 175.29 174.54 3hwj h PRO 1850N -0.83 0.30 0.00 0.00 0.13 -1.96 -1.56 132.00 128.07 3hwj h PRO 1850Ca -0.44 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3hwj h PRO 1850Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hwj h PRO 1850CO 0.57 0.61 0.14 -3.47 -0.23 0.00 0.00 178.00 175.62 3hwj n ASP 1851N -4.67 0.00 0.00 1.44 2.03 -1.26 -4.77 116.55 109.32 3hwj n ASP 1851Ca -0.06 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3hwj n ASP 1851Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 3hwj n ASP 1851CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hwj n GLY 1852N -0.52 2.92 3.72 0.27 0.00 -0.59 -5.03 105.19 105.96 3hwj n GLY 1852Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3hwj n GLY 1852CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hwj s VAL 1853N -2.12 3.82 -0.13 1.61 -7.23 -1.26 -4.70 120.40 110.39 3hwj s VAL 1853Ca 0.00 1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 61.48 3hwj s VAL 1853Cb 0.00 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 3hwj s VAL 1853CO 0.00 0.12 -0.03 0.42 -0.31 0.00 0.00 175.10 175.30 3hwj s THR 1854N 0.91 3.98 -0.17 5.32 -4.23 -1.26 -0.24 115.64 119.96 3hwj s THR 1854Ca 0.59 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 3hwj s THR 1854Cb -0.31 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 3hwj s THR 1854CO 0.30 0.53 0.08 -0.36 -0.54 0.00 0.00 174.62 174.64 3hwj s PHE 1855N -0.05 3.33 -0.18 3.99 0.08 -0.48 -3.44 117.98 121.23 3hwj s PHE 1855Ca 0.02 0.21 -0.08 0.00 0.12 0.00 0.00 56.93 57.20 3hwj s PHE 1855Cb -0.13 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3hwj s PHE 1855CO 0.02 0.31 0.09 0.99 -0.10 0.00 0.00 175.22 176.54 3hwj s THR 1856N 0.00 5.09 -0.04 0.64 2.01 -0.11 -0.00 115.64 123.22 3hwj s THR 1856Ca 0.07 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.16 3hwj s THR 1856Cb -0.12 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3hwj s THR 1856CO 0.00 0.48 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.98 3hwj s PHE 1857N 0.14 2.90 -0.01 4.92 0.08 0.31 -1.53 117.98 124.79 3hwj s PHE 1857Ca 0.07 -0.02 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 3hwj s PHE 1857Cb -0.12 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3hwj s PHE 1857CO -0.00 0.34 0.03 -1.54 -0.10 0.00 0.00 175.22 173.95 3hwj s SER 1858N -1.04 0.01 0.51 1.36 1.04 -0.07 -4.74 113.70 110.77 3hwj s SER 1858Ca 0.14 -0.03 -0.23 0.00 0.48 0.00 0.00 55.95 56.31 3hwj s SER 1858Cb -0.11 0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.04 3hwj s SER 1858CO 0.04 -0.08 1.33 -0.89 0.98 0.00 0.00 173.24 174.62 3hwj s THR 1859N -0.30 2.28 0.01 2.02 2.01 -1.26 -1.80 115.64 118.60 3hwj s THR 1859Ca -0.03 0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 3hwj s THR 1859Cb -0.02 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.38 3hwj s THR 1859CO -0.00 0.00 0.18 0.00 -0.69 0.00 0.00 174.62 174.12 3hwj h SER 1861N 3.97 0.00 -0.25 0.00 4.64 -1.97 -2.09 113.55 117.85 3hwj h SER 1861Ca -0.31 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.08 3hwj h SER 1861Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3hwj h SER 1861CO 0.43 0.00 0.26 -0.07 -0.87 0.00 0.00 176.83 176.57 3hwj h LEU 1862N 0.00 0.00 -7.13 5.97 3.38 -1.95 -3.35 115.31 112.22 3hwj h LEU 1862Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 3hwj h LEU 1862Cb 0.57 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3hwj h LEU 1862CO 0.00 0.00 2.53 -0.24 0.09 0.00 0.00 178.44 180.82 3hwj n SER 1863N -3.86 4.55 0.27 -0.43 2.88 -0.79 -4.60 113.62 111.65 3hwj n SER 1863Ca 0.03 -2.90 0.12 0.00 -1.33 0.00 0.00 58.87 54.80 3hwj n SER 1863Cb 0.40 -1.70 0.78 0.00 -0.75 0.00 0.00 64.21 62.93 3hwj n SER 1863CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hwj h SER 1864N 6.93 0.00 0.27 -3.46 0.02 -0.64 -2.99 113.55 113.68 3hwj h SER 1864Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3hwj h SER 1864Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3hwj h SER 1864CO 1.62 0.06 -0.23 -3.20 -1.14 0.00 0.00 176.83 173.94 3hwj n ASN 1865N -3.90 0.89 0.00 3.07 5.15 0.81 -4.91 115.26 116.37 3hwj n ASN 1865Ca -0.03 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 53.15 3hwj n ASN 1865Cb 0.15 0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 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 1.33 0.71 3.75 8.20 0.00 -1.13 -4.95 105.19 113.09 3hwj n GLY 1866Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3hwj n GLY 1866CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hwj n THR 1867N -1.07 2.17 -3.92 2.61 -1.04 -1.26 -4.91 114.28 106.86 3hwj n THR 1867Ca 0.00 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.45 3hwj n THR 1867Cb 0.00 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 66.67 3hwj n THR 1867CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hwj n ASN 1868N 0.41 -0.35 -0.28 8.00 0.23 -0.64 -4.64 115.26 118.00 3hwj n ASN 1868Ca 0.03 -1.70 0.26 0.00 -0.53 0.00 0.00 54.58 52.64 3hwj n ASN 1868Cb 0.39 0.72 0.61 0.00 -2.08 0.00 0.00 39.78 39.42 3hwj n ASN 1868CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3hwj h GLN 1869N 0.00 0.22 0.08 -3.83 4.20 -1.92 -3.23 115.11 110.63 3hwj h GLN 1869Ca -0.09 -0.01 -0.37 0.00 0.06 0.00 0.00 58.65 58.24 3hwj h GLN 1869Cb 0.41 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3hwj h GLN 1869CO 0.12 0.14 -2.10 2.41 -0.67 0.00 0.00 178.83 178.73 3hwj n THR 1870N -4.43 1.69 -3.82 -0.54 -1.04 -1.26 -4.25 114.28 100.64 3hwj n THR 1870Ca 0.23 -0.65 -0.11 0.00 -2.04 0.00 0.00 64.05 61.48 3hwj n THR 1870Cb 0.95 -1.57 -0.08 0.00 -1.82 0.00 0.00 70.33 67.80 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 0.71 0.00 -2.82 1.70 -1.22 -1.39 118.95 113.37 3hwj s ARG 1871Ca -0.24 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 54.47 3hwj s ARG 1871Cb 0.07 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 3hwj s ARG 1871CO 0.74 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 175.16 3hwj n GLY 1872N 0.75 0.21 3.81 3.88 0.00 -0.25 -1.61 105.19 111.97 3hwj n GLY 1872Ca -0.19 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 3hwj n GLY 1872CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hwj s GLN 1873N -0.24 2.22 -0.93 1.61 2.00 -1.26 -0.05 119.66 123.01 3hwj s GLN 1873Ca 0.00 -2.08 -0.04 0.00 -2.00 0.00 0.00 55.36 51.24 3hwj s GLN 1873Cb 0.00 -1.89 -0.05 0.00 0.80 0.00 0.00 33.01 31.88 3hwj s GLN 1873CO 0.00 -0.38 0.83 -0.89 -0.50 0.00 0.00 175.29 174.35 3hwj n ILE 1874N -1.44 -9.45 0.13 -2.34 5.41 -1.26 -4.94 119.36 105.46 3hwj n ILE 1874Ca -0.07 -0.96 0.16 0.00 1.00 0.00 0.00 62.75 62.88 3hwj n ILE 1874Cb 0.65 -6.64 0.71 0.00 -0.71 0.00 0.00 39.64 33.65 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 -0.54 0.00 -2.39 0.38 0.13 -1.87 -3.46 132.00 124.25 3hwj h PRO 1875Ca -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 3hwj h PRO 1875Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3hwj h PRO 1875CO 0.39 0.00 -0.03 -1.14 -0.23 0.00 0.00 178.00 176.98 3hwj s GLN 1876N -4.94 0.74 -0.17 0.86 0.74 -1.25 -0.11 119.66 115.53 3hwj s GLN 1876Ca -0.05 0.55 -0.08 0.00 0.05 0.00 0.00 55.36 55.84 3hwj s GLN 1876Cb 0.18 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.60 3hwj s GLN 1876CO 0.67 -0.14 0.09 0.42 -0.55 0.00 0.00 175.29 175.78 3hwj s ILE 1877N -0.21 5.06 -0.17 -2.34 1.01 -1.26 -0.91 121.20 122.39 3hwj s ILE 1877Ca -0.04 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 3hwj s ILE 1877Cb -0.03 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 3hwj s ILE 1877CO 0.03 0.50 0.20 -0.76 0.00 0.00 0.00 174.94 174.91 3hwj s LEU 1878N -0.01 4.26 0.22 2.97 1.43 0.48 -4.93 118.68 123.09 3hwj s LEU 1878Ca 0.08 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 3hwj s LEU 1878Cb -0.12 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3hwj s LEU 1878CO 0.00 0.19 0.46 -0.72 0.23 0.00 0.00 176.35 176.51 3hwj s TYR 1879N 0.16 0.24 0.13 0.29 -0.85 -1.26 -0.40 117.35 115.66 3hwj s TYR 1879Ca 0.13 -0.60 0.04 0.00 -0.52 0.00 0.00 57.07 56.12 3hwj s TYR 1879Cb -0.12 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 3hwj s TYR 1879CO 0.02 -0.93 -0.09 1.52 -1.52 0.00 0.00 175.55 174.54 3hwj s TYR 1880N -3.97 1.17 0.25 -3.49 -0.85 -0.68 -4.93 117.35 104.85 3hwj s TYR 1880Ca 0.18 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 55.92 3hwj s TYR 1880Cb -0.00 -0.61 -0.04 0.00 0.38 0.00 0.00 41.96 41.68 3hwj s TYR 1880CO 0.04 0.03 0.46 0.50 -1.52 0.00 0.00 175.55 175.06 3hwj s ARG 1881N -3.75 3.54 0.00 -3.49 3.52 -1.26 -1.63 118.95 115.88 3hwj s ARG 1881Ca 0.15 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3hwj s ARG 1881Cb 0.03 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 3hwj s ARG 1881CO -0.01 0.31 0.00 0.45 -0.81 0.00 0.00 175.30 175.25