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1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 3090000.000000 1057 10559.5 4548.7 9162.77 11.2009 25.1646 27.4219 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 3390000.000000 1060 9354.94 6395.92 11624.4 9.94195 25.1336 24.1797 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 2280000.000000 1062 8943.55 3716.77 9269.37 10.1537 27.1455 28.7109 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 2060000.000000 1063 8913.64 4337.67 9399.62 9.4125 23.7098 58.0469 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 2670000.000000 1065 7890.5 6594.11 19102.7 9.56545 19.5621 16.4844 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 2170000.000000 1066 9977.69 6978.1 17579.4 8.81245 29.3432 19.5703 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 2190000.000000 1067 9565.92 4601.31 10827.3 6.80053 23.9574 20.4297 # 1 0 UNDEF UNDEF 0 UNDEF UNDEF 0 UNDEF UNDEF 1770000.000000 1069 9886.87 3980.72 17486.8 8.96541 24.2669 22.5781 # 1 0.8204 7.98643 49.8553 7.93003 18.8193 18.5938 # 1 # choose from 1 correlated columns 1,3 # choose from 10 for remaining column 2 # 72 ILE MG2 5 TYR HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.074576 72 ILE MG2 6 LYS HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.076282 72 ILE MG2 9 THR HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.064902 72 ILE MG2 10 VAL HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.071770 72 ILE MG2 23 GLY HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.069211 72 ILE MG2 42 ASP HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.071770 72 ILE MG2 58 ALA HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.069211 72 ILE MG2 71 MET HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.077603 72 ILE MG2 73 SER HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.068199 72 ILE MG2 86 GLU HN 72 ILE CG2 2860000.000000 275 0.8204 7.98643 49.8553 # asg 1 0.074576 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 10100000.000000 277 1.97879 1.13821 49.8237 10.7302 28.1979 21.4062 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5930000.000000 278 1.97497 2.42288 49.8413 7.16527 23.4622 20.8984 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6430000.000000 279 1.97511 2.62663 49.8548 7.10644 26.4646 21.4062 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 4220000.000000 280 1.97332 3.09831 49.8108 6.17695 26.0622 17.5781 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5650000.000000 281 2.03202 3.05367 50.1803 5.03569 21.5431 16.5234 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9680000.000000 282 2.03235 2.6554 50.1991 5.32983 19.5002 22.5 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 3800000.000000 283 1.97305 7.42808 49.7399 6.82406 21.7907 16.7969 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5680000.000000 286 0.226409 1.28602 46.6538 9.33014 32.4075 20.6641 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6310000.000000 287 0.226409 1.59453 46.7255 8.40066 28.5694 23.125 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 3950000.000000 289 0.228173 2.25398 46.6538 5.60044 28.9408 16.7188 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7040000.000000 290 0.227977 2.67416 46.7208 10.7302 33.2742 24.6094 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6490000.000000 291 0.229525 2.96968 46.6673 8.40066 33.2742 20.5859 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7250000.000000 292 0.229525 3.22839 46.6631 9.33014 30.8599 22.1094 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 3240000.000000 293 0.228663 6.75961 46.6251 6.21225 21.0788 16.6797 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 10100000.000000 294 0.228663 7.15917 46.6753 9.17719 52.2792 25.5078 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5180000.000000 298 0.779814 3.50571 46.6494 8.40066 28.1051 20.8594 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 15800000.000000 299 0.781186 2.48701 46.5801 11.1891 29.4051 29.5703 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 22700000.000000 303 0.474392 0.811447 46.814 13.754 37.4528 29.3359 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 8680000.000000 310 0.958267 5.6527 45.8199 10.6714 26.2789 32.7734 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 4880000.000000 312 0.776934 4.65938 45.8574 7.47117 30.4575 20.3125 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6450000.000000 313 0.778717 4.27271 45.8085 3.7297 31.448 23.9844 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 21200000.000000 314 0.768056 3.91022 45.7513 12.2715 39.6505 31.9922 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 10400000.000000 318 1.23735 0.799125 45.7267 14.4129 30.798 21.6016 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6990000.000000 319 1.42758 0.780513 45.7661 10.6714 26.9908 20.7812 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6810000.000000 320 1.75466 0.751487 45.7392 10.6714 32.5623 23.3984 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 51800000.000000 321 0.781343 1.44445 45.8163 10.5655 29.0337 28.6328 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 14300000.000000 322 0.467278 0.779895 45.8512 10.695 36.9266 28.9844 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 11600000.000000 331 3.91405 4.74424 45.0167 12.9304 28.8789 20.5469 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 16600000.000000 332 4.02578 4.74284 45.0364 13.3305 23.9884 23.4766 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 4430000.000000 336 0.766214 4.38242 44.8149 6.85936 26.0312 16.2109 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 8190000.000000 337 1.31372 0.782369 44.7466 12.1186 28.8789 24.5703 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9550000.000000 338 1.52494 0.779225 44.743 10.9067 31.2313 26.4453 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 503000000.000000 339 4.0332 3.98894 44.9702 16.966 37.8242 27.9297 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 15200000.000000 342 3.00078 0.0354271 44.1127 13.6952 38.1338 30.1953 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6420000.000000 343 3.05869 4.82709 43.9331 9.38897 32.6861 17.6172 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 10200000.000000 344 3.00886 6.15888 43.9942 12.6128 29.9622 31.0547 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9330000.000000 345 3.01564 3.37574 43.8733 10.3302 24.5455 18.7109 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 1880000.000000 347 1.58644 8.74369 43.9406 6.18872 16.9931 12.9688 # 1 # choose from 1 correlated columns 1,3 # choose from 1 for remaining column 2 # 24 LEU HB 51 GLU HN 24 LEU CB 1880000.000000 347 1.58644 8.74369 43.9406 # asg 1 0.090828 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 19200000.000000 348 3.27089 4.74455 43.4653 10.1184 34.3266 30.5078 # 1 # choose from 1 correlated columns 1,3 # choose from 7 for remaining column 2 # 57 ARG HD 24 LEU HA 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.048765 57 ARG HD 25 THR HB 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.031559 57 ARG HD 42 ASP HA 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.032264 57 ARG HD 61 PHE HA 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.022416 57 ARG HD 76 ASP HA 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.039837 57 ARG HD 78 ASP HA 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.031559 57 ARG HD 82 THR HA 57 ARG CD 19200000.000000 348 3.27089 4.74455 43.4653 # asg 1 0.048765 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 26500000.000000 349 3.20105 4.72346 43.3634 8.88305 35.1004 38.125 # 1 # choose from 3 correlated columns 1,3 # choose from 7 for remaining column 2 # 14 ARG HD 24 LEU HA 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.046300 14 ARG HD 25 THR HB 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.040067 14 ARG HD 42 ASP HA 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.061313 14 ARG HD 61 PHE HA 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.050874 14 ARG HD 76 ASP HA 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.042125 14 ARG HD 78 ASP HA 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.040067 14 ARG HD 82 THR HA 14 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 1 0.046300 15 ARG HD 24 LEU HA 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.047267 15 ARG HD 25 THR HB 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.041179 15 ARG HD 42 ASP HA 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.062046 15 ARG HD 61 PHE HA 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.051755 15 ARG HD 76 ASP HA 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.043185 15 ARG HD 78 ASP HA 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.041179 15 ARG HD 82 THR HA 15 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 2 0.047267 21 ARG HD 24 LEU HA 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.091308 21 ARG HD 25 THR HB 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.088311 21 ARG HD 42 ASP HA 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.099764 21 ARG HD 61 PHE HA 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.093710 21 ARG HD 76 ASP HA 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.089264 21 ARG HD 78 ASP HA 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.088311 21 ARG HD 82 THR HA 21 ARG CD 26500000.000000 349 3.20105 4.72346 43.3634 # asg 3 0.091308 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 12900000.000000 355 3.20846 4.95283 43.3163 12.0833 25.6598 28.7891 # 1 # choose from 3 correlated columns 1,3 # choose from 1 for remaining column 2 # 14 ARG HD 47 ILE HA 14 ARG CD 12900000.000000 355 3.20846 4.95283 43.3163 # asg 1 0.017363 15 ARG HD 47 ILE HA 15 ARG CD 12900000.000000 355 3.20846 4.95283 43.3163 # asg 2 0.080637 21 ARG HD 47 ILE HA 21 ARG CD 12900000.000000 355 3.20846 4.95283 43.3163 # asg 3 0.135889 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 11500000.000000 356 3.21091 5.34765 43.3608 9.3772 33.2123 33.125 # 1 # choose from 3 correlated columns 1,3 # choose from 0 for remaining column 2 # # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9750000.000000 362 2.57672 4.17057 42.1025 10.2714 33.8932 21.6797 # 1 # choose from 1 correlated columns 1,3 # choose from 9 for remaining column 2 # 48 ASP HB2 6 LYS HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.155277 48 ASP HB2 8 LYS HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.158760 48 ASP HB2 28 GLN HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.154040 48 ASP HB2 31 GLU HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.154401 48 ASP HB2 33 ARG HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.154401 48 ASP HB2 66 GLU HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.157043 48 ASP HB2 67 GLU HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.161515 48 ASP HB2 71 MET HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.157043 48 ASP HB2 74 GLU HA 48 ASP CB 9750000.000000 362 2.57672 4.17057 42.1025 # asg 1 0.154401 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 13700000.000000 363 2.48457 4.76733 41.9938 12.3539 27.2694 30.3516 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 39200000.000000 369 1.47387 1.82674 41.6582 15.213 35.1004 39.0625 # 1 # choose from 2 correlated columns 1,3 # choose from 9 for remaining column 2 # 38 LEU HB 14 ARG HB1 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.028090 38 LEU HB 14 ARG HB2 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.046529 38 LEU HB 15 ARG HB1 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.025572 38 LEU HB 18 LYS HB 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.038343 38 LEU HB 19 LYS HB1 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.024489 38 LEU HB 21 ARG HB1 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.027596 38 LEU HB 47 ILE HB 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.029427 38 LEU HB 52 LEU HB1 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.041133 38 LEU HB 92 MET HB2 38 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 1 0.033901 52 LEU HB2 14 ARG HB1 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.043849 52 LEU HB2 14 ARG HB2 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.057434 52 LEU HB2 15 ARG HB1 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.042281 52 LEU HB2 18 LYS HB 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.051028 52 LEU HB2 19 LYS HB1 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.041634 52 LEU HB2 21 ARG HB1 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.043534 52 LEU HB2 47 ILE HB 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.044717 52 LEU HB2 52 LEU HB1 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.053157 52 LEU HB2 92 MET HB2 52 LEU CB 39200000.000000 369 1.47387 1.82674 41.6582 # asg 2 0.047781 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 8710000.000000 370 2.50831 4.16593 42.1126 9.87136 33.367 23.4766 # 1 # choose from 1 correlated columns 1,3 # choose from 11 for remaining column 2 # 48 ASP HB2 6 LYS HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.169828 48 ASP HB2 8 LYS HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.174567 48 ASP HB2 28 GLN HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.169220 48 ASP HB2 31 GLU HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.169275 48 ASP HB2 33 ARG HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.169275 48 ASP HB2 34 GLU HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.175295 48 ASP HB2 60 GLY HA1 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.175295 48 ASP HB2 66 GLU HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.171146 48 ASP HB2 67 GLU HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.174781 48 ASP HB2 71 MET HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.171146 48 ASP HB2 74 GLU HA 48 ASP CB 8710000.000000 370 2.50831 4.16593 42.1126 # asg 1 0.169275 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 14600000.000000 371 2.58658 4.75424 42.035 11.648 26.6503 27.3047 # 1 # choose from 1 correlated columns 1,3 # choose from 5 for remaining column 2 # 48 ASP HB2 25 THR HB 48 ASP CB 14600000.000000 371 2.58658 4.75424 42.035 # asg 1 0.096926 48 ASP HB2 42 ASP HA 48 ASP CB 14600000.000000 371 2.58658 4.75424 42.035 # asg 1 0.092036 48 ASP HB2 61 PHE HA 48 ASP CB 14600000.000000 371 2.58658 4.75424 42.035 # asg 1 0.090680 48 ASP HB2 76 ASP HA 48 ASP CB 14600000.000000 371 2.58658 4.75424 42.035 # asg 1 0.100893 48 ASP HB2 78 ASP HA 48 ASP CB 14600000.000000 371 2.58658 4.75424 42.035 # asg 1 0.096926 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5410000.000000 373 2.57264 1.41991 42.0971 8.78892 25.2574 16.9922 # 1 # choose from 1 correlated columns 1,3 # choose from 6 for remaining column 2 # 48 ASP HB2 13 ALA MB 48 ASP CB 5410000.000000 373 2.57264 1.41991 42.0971 # asg 1 0.156335 48 ASP HB2 18 LYS HG 48 ASP CB 5410000.000000 373 2.57264 1.41991 42.0971 # asg 1 0.149486 48 ASP HB2 41 THR MG2 48 ASP CB 5410000.000000 373 2.57264 1.41991 42.0971 # asg 1 0.149486 48 ASP HB2 49 ALA MB 48 ASP CB 5410000.000000 373 2.57264 1.41991 42.0971 # asg 1 0.151179 48 ASP HB2 50 LYS HG 48 ASP CB 5410000.000000 373 2.57264 1.41991 42.0971 # asg 1 0.153482 48 ASP HB2 75 ILE HG1 48 ASP CB 5410000.000000 373 2.57264 1.41991 42.0971 # asg 1 0.150263 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 12600000.000000 374 2.50392 1.65578 42.1056 10.7655 32.6861 30.8594 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9180000.000000 375 2.57684 1.64428 42.0916 9.68311 29.8694 22.4609 # 1 # choose from 1 correlated columns 1,3 # choose from 7 for remaining column 2 # 48 ASP HB2 15 ARG HG 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.147318 48 ASP HB2 18 LYS HD 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.147660 48 ASP HB2 21 ARG HG 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.149961 48 ASP HB2 24 LEU HB 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.145317 48 ASP HB2 29 LYS HD 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.145565 48 ASP HB2 40 ASP HB2 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.147318 48 ASP HB2 77 LYS HG 48 ASP CB 9180000.000000 375 2.57684 1.64428 42.0916 # asg 1 0.145317 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5210000.000000 376 2.51229 1.42398 42.1056 8.96541 24.236 22.8125 # 1 # choose from 1 correlated columns 1,3 # choose from 5 for remaining column 2 # 48 ASP HB2 18 LYS HG 48 ASP CB 5210000.000000 376 2.51229 1.42398 42.1056 # asg 1 0.163127 48 ASP HB2 41 THR MG2 48 ASP CB 5210000.000000 376 2.51229 1.42398 42.1056 # asg 1 0.163127 48 ASP HB2 49 ALA MB 48 ASP CB 5210000.000000 376 2.51229 1.42398 42.1056 # asg 1 0.163440 48 ASP HB2 50 LYS HG 48 ASP CB 5210000.000000 376 2.51229 1.42398 42.1056 # asg 1 0.165327 48 ASP HB2 75 ILE HG1 48 ASP CB 5210000.000000 376 2.51229 1.42398 42.1056 # asg 1 0.162719 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7470000.000000 378 3.33925 8.84206 41.5762 10.7655 24.0193 26.9531 # 1 # choose from 1 correlated columns 1,3 # choose from 3 for remaining column 2 # 84 ASP HB1 27 GLU HN 84 ASP CB 7470000.000000 378 3.33925 8.84206 41.5762 # asg 1 0.034250 84 ASP HB1 85 PHE HN 84 ASP CB 7470000.000000 378 3.33925 8.84206 41.5762 # asg 1 0.036735 84 ASP HB1 89 LEU HN 84 ASP CB 7470000.000000 378 3.33925 8.84206 41.5762 # asg 1 0.052883 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 4650000.000000 379 2.66689 8.84329 41.5907 8.07122 22.5955 23.4375 # 1 # choose from 1 correlated columns 1,3 # choose from 3 for remaining column 2 # 84 ASP HB2 27 GLU HN 84 ASP CB 4650000.000000 379 2.66689 8.84329 41.5907 # asg 1 0.052046 84 ASP HB2 85 PHE HN 84 ASP CB 4650000.000000 379 2.66689 8.84329 41.5907 # asg 1 0.053023 84 ASP HB2 89 LEU HN 84 ASP CB 4650000.000000 379 2.66689 8.84329 41.5907 # asg 1 0.066379 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7890000.000000 391 4.6016 2.70365 41.046 6.71817 33.5837 20.7422 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 12000000.000000 396 3.81711 4.75089 40.3319 11.1185 28.817 30.8203 # 1 # choose from 1 correlated columns 1,3 # choose from 5 for remaining column 2 # 46 THR HB 25 THR HB 46 THR CB 12000000.000000 396 3.81711 4.75089 40.3319 # asg 1 0.107475 46 THR HB 42 ASP HA 46 THR CB 12000000.000000 396 3.81711 4.75089 40.3319 # asg 1 0.104699 46 THR HB 61 PHE HA 46 THR CB 12000000.000000 396 3.81711 4.75089 40.3319 # asg 1 0.103023 46 THR HB 76 ASP HA 46 THR CB 12000000.000000 396 3.81711 4.75089 40.3319 # asg 1 0.110764 46 THR HB 78 ASP HA 46 THR CB 12000000.000000 396 3.81711 4.75089 40.3319 # asg 1 0.107475 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7940000.000000 403 3.04549 4.09164 40.3986 13.8834 28.3527 21.3672 # 1 # choose from 1 correlated columns 1,3 # choose from 14 for remaining column 2 # 61 PHE HB1 22 VAL HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126890 61 PHE HB1 26 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.129480 61 PHE HB1 27 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126093 61 PHE HB1 30 GLN HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126890 61 PHE HB1 34 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.128717 61 PHE HB1 50 LYS HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126093 61 PHE HB1 51 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126890 61 PHE HB1 56 MET HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.125565 61 PHE HB1 60 GLY HA1 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.128717 61 PHE HB1 66 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.134546 61 PHE HB1 67 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.129173 61 PHE HB1 70 LYS HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126093 61 PHE HB1 71 MET HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.134546 61 PHE HB1 87 GLU HA 61 PHE CB 7940000.000000 403 3.04549 4.09164 40.3986 # asg 1 0.126890 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9220000.000000 404 2.97125 4.73377 40.4085 14.86 23.1526 17.6953 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 11700000.000000 408 3.03381 6.17641 40.2874 15.6718 24.886 28.3984 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 8910000.000000 409 3.09515 8.11512 40.2522 10.1302 23.7407 25.9375 # 1 # choose from 1 correlated columns 1,3 # choose from 7 for remaining column 2 # 78 ASP HB1 8 LYS HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.063391 78 ASP HB1 13 ALA HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.062847 78 ASP HB1 14 ARG HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.055050 78 ASP HB1 19 LYS HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.064514 78 ASP HB1 32 ILE HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.063524 78 ASP HB1 61 PHE HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.053157 78 ASP HB1 92 MET HN 78 ASP CB 8910000.000000 409 3.09515 8.11512 40.2522 # asg 1 0.053180 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 8470000.000000 414 3.04899 -0.082584440.3412 10.7655 27.6408 22.1484 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6760000.000000 418 3.25173 4.0454 40.4294 12.1892 17.3026 25.0391 # 1 # choose from 1 correlated columns 1,3 # choose from 11 for remaining column 2 # 88 PHE HB 26 GLU HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.063094 88 PHE HB 27 GLU HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.070462 88 PHE HB 32 ILE HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.061619 88 PHE HB 41 THR HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.063284 88 PHE HB 44 SER HB2 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.066430 88 PHE HB 50 LYS HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.070462 88 PHE HB 56 MET HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.075874 88 PHE HB 70 LYS HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.070462 88 PHE HB 73 SER HB 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.061619 88 PHE HB 80 SER HB2 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.066430 88 PHE HB 88 PHE HA 88 PHE CB 6760000.000000 418 3.25173 4.0454 40.4294 # asg 1 0.073484 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 4980000.000000 419 3.25608 1.2902 40.3275 7.40058 20.7693 28.9062 # 1 # choose from 1 correlated columns 1,3 # choose from 2 for remaining column 2 # 88 PHE HB 68 ILE HG12 88 PHE CB 4980000.000000 419 3.25608 1.2902 40.3275 # asg 1 0.165946 88 PHE HB 89 LEU HG 88 PHE CB 4980000.000000 419 3.25608 1.2902 40.3275 # asg 1 0.161103 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6180000.000000 421 3.01742 8.01005 39.8716 10.8361 25.1336 17.7344 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 12700000.000000 423 3.74342 3.03572 39.6475 12.4363 28.6003 31.1719 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 2860000.000000 424 2.63935 7.47418 40.0599 6.55345 18.2312 16.3672 # 1 # choose from 1 correlated columns 1,3 # choose from 1 for remaining column 2 # 37 ASP HB 38 LEU HN 37 ASP CB 2860000.000000 424 2.63935 7.47418 40.0599 # asg 1 0.059739 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6130000.000000 425 2.36776 0.826244 40.0928 8.67127 24.6384 24.3359 # 1 # choose from 1 correlated columns 1,3 # choose from 9 for remaining column 2 # 76 ASP HB2 24 LEU QD 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.076191 76 ASP HB2 32 ILE MD1 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.077326 76 ASP HB2 38 LEU MD1 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.073174 76 ASP HB2 47 ILE MG2 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.081119 76 ASP HB2 52 LEU QD 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.081119 76 ASP HB2 72 ILE MD1 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.073174 76 ASP HB2 72 ILE MG2 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.070834 76 ASP HB2 75 ILE MD1 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.073174 76 ASP HB2 83 ILE MD1 76 ASP CB 6130000.000000 425 2.36776 0.826244 40.0928 # asg 1 0.073174 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 3030000.000000 426 2.93654 0.823356 40.1083 7.77708 16.4359 20.4688 # 1 # choose from 1 correlated columns 1,3 # choose from 9 for remaining column 2 # 76 ASP HB1 24 LEU QD 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.063464 76 ASP HB1 32 ILE MD1 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.061624 76 ASP HB1 38 LEU MD1 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.056836 76 ASP HB1 47 ILE MG2 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.069717 76 ASP HB1 52 LEU QD 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.069717 76 ASP HB1 72 ILE MD1 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.056836 76 ASP HB1 72 ILE MG2 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.056154 76 ASP HB1 75 ILE MD1 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.056836 76 ASP HB1 83 ILE MD1 76 ASP CB 3030000.000000 426 2.93654 0.823356 40.1083 # asg 1 0.056836 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 12100000.000000 427 3.00927 0.0571837 40.0721 12.8598 29.5599 21.2109 # 1 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 11600000.000000 428 2.63753 4.10525 40.0928 11.9774 22.1622 30.8984 # 1 # choose from 1 correlated columns 1,3 # choose from 15 for remaining column 2 # 37 ASP HB 6 LYS HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.102388 37 ASP HB 22 VAL HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.091722 37 ASP HB 26 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.102166 37 ASP HB 27 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.095015 37 ASP HB 30 GLN HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.091722 37 ASP HB 34 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.092779 37 ASP HB 50 LYS HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.095015 37 ASP HB 51 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.091722 37 ASP HB 56 MET HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.092860 37 ASP HB 60 GLY HA1 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.092779 37 ASP HB 66 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.097969 37 ASP HB 67 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.093118 37 ASP HB 70 LYS HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.095015 37 ASP HB 71 MET HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.097969 37 ASP HB 87 GLU HA 37 ASP CB 11600000.000000 428 2.63753 4.10525 40.0928 # asg 1 0.091722 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5030000.000000 429 3.33253 6.71244 39.2457 7.37705 23.586 20.1172 # 1 # choose from 1 correlated columns 1,3 # choose from 2 for remaining column 2 # 36 PHE HB1 36 PHE HD 36 PHE CB 5030000.000000 429 3.33253 6.71244 39.2457 # asg 1 0.039582 36 PHE HB1 85 PHE HD 36 PHE CB 5030000.000000 429 3.33253 6.71244 39.2457 # asg 1 0.017628 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 5930000.000000 432 2.99998 6.70749 39.3124 13.0481 20.4598 17.9297 # 1 # choose from 1 correlated columns 1,3 # choose from 2 for remaining column 2 # 36 PHE HB2 36 PHE HD 36 PHE CB 5930000.000000 432 2.99998 6.70749 39.3124 # asg 1 0.080314 36 PHE HB2 85 PHE HD 36 PHE CB 5930000.000000 432 2.99998 6.70749 39.3124 # asg 1 0.068551 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 4810000.000000 433 3.00376 6.13748 39.2172 10.7773 23.1526 19.1797 # 1 # choose from 1 correlated columns 1,3 # choose from 0 for remaining column 2 # # 0 NULL NULL 0 NULL NULL 0 NULL NULL 9750000.000000 434 3.00376 4.0107 39.3344 13.0481 35.3171 19.1797 # 1 # choose from 1 correlated columns 1,3 # choose from 10 for remaining column 2 # 36 PHE HB2 23 GLY HA1 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.095059 36 PHE HB2 26 GLU HA 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.102283 36 PHE HB2 32 ILE HA 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.094286 36 PHE HB2 35 ALA HA 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.091977 36 PHE HB2 41 THR HA 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.091672 36 PHE HB2 44 SER HB2 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.090099 36 PHE HB2 73 SER HB 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.094286 36 PHE HB2 80 SER HB2 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.090099 36 PHE HB2 88 PHE HA 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.089799 36 PHE HB2 91 MET HA 36 PHE CB 9750000.000000 434 3.00376 4.0107 39.3344 # asg 1 0.091977 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7150000.000000 435 3.01791 2.0954 39.1049 9.57722 22.3479 39.3359 # 1 # choose from 1 correlated columns 1,3 # choose from 17 for remaining column 2 # 36 PHE HB2 22 VAL HB 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.144720 36 PHE HB2 26 GLU HB 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140398 36 PHE HB2 27 GLU HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140324 36 PHE HB2 33 ARG HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140398 36 PHE HB2 34 GLU HB2 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.142603 36 PHE HB2 53 LYS HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140324 36 PHE HB2 56 MET HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.141798 36 PHE HB2 63 PRO HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140785 36 PHE HB2 64 LYS HB 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140398 36 PHE HB2 66 GLU HB 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140427 36 PHE HB2 67 GLU HB2 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.141060 36 PHE HB2 68 ILE HB 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.147240 36 PHE HB2 71 MET HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.147240 36 PHE HB2 74 GLU HB1 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.144526 36 PHE HB2 86 GLU HB 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.140398 36 PHE HB2 87 GLU HB2 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.141166 36 PHE HB2 91 MET HB2 36 PHE CB 7150000.000000 435 3.01791 2.0954 39.1049 # asg 1 0.144720 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 3700000.000000 436 3.03829 -0.324485 39.3663 5.77692 29.6218 43.9844 # 1 # choose from 1 correlated columns 1,3 # choose from 0 for remaining column 2 # # 0 NULL NULL 0 NULL NULL 0 NULL NULL 6500000.000000 440 2.96978 8.58206 39.2573 9.11836 22.4407 19.4141 # 1 # choose from 1 correlated columns 1,3 # choose from 6 for remaining column 2 # 36 PHE HB2 33 ARG HN 36 PHE CB 6500000.000000 440 2.96978 8.58206 39.2573 # asg 1 0.043754 36 PHE HB2 44 SER HN 36 PHE CB 6500000.000000 440 2.96978 8.58206 39.2573 # asg 1 0.045725 36 PHE HB2 49 ALA HN 36 PHE CB 6500000.000000 440 2.96978 8.58206 39.2573 # asg 1 0.044004 36 PHE HB2 62 GLU HN 36 PHE CB 6500000.000000 440 2.96978 8.58206 39.2573 # asg 1 0.042109 36 PHE HB2 64 LYS HN 36 PHE CB 6500000.000000 440 2.96978 8.58206 39.2573 # asg 1 0.042109 36 PHE HB2 87 GLU HN 36 PHE CB 6500000.000000 440 2.96978 8.58206 39.2573 # asg 1 0.050493 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 11400000.000000 448 2.24339 1.80503 38.6221 11.7421 27.3622 33.6719 # 1 # choose from 2 correlated columns 1,3 # choose from 11 for remaining column 2 # 83 ILE HB 14 ARG HB1 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.042731 83 ILE HB 14 ARG HB2 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.029278 83 ILE HB 15 ARG HB1 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.037819 83 ILE HB 15 ARG HB2 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.054185 83 ILE HB 18 LYS HB 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.024425 83 ILE HB 19 LYS HB1 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.029241 83 ILE HB 21 ARG HB1 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.041893 83 ILE HB 21 ARG HB2 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.050594 83 ILE HB 47 ILE HB 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.023597 83 ILE HB 72 ILE HG1 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.050594 83 ILE HB 92 MET HB2 83 ILE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 1 0.023156 85 PHE HB2 14 ARG HB1 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.156407 85 PHE HB2 14 ARG HB2 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.153279 85 PHE HB2 15 ARG HB1 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.155137 85 PHE HB2 15 ARG HB2 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.159917 85 PHE HB2 18 LYS HB 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.152427 85 PHE HB2 19 LYS HB1 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.153272 85 PHE HB2 21 ARG HB1 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.156180 85 PHE HB2 21 ARG HB2 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.158736 85 PHE HB2 47 ILE HB 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.152296 85 PHE HB2 72 ILE HG1 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.158736 85 PHE HB2 92 MET HB2 85 PHE CB 11400000.000000 448 2.24339 1.80503 38.6221 # asg 2 0.152229 # 0 NULL NULL 0 NULL NULL 0 NULL NULL 7490000.000000 451 1.79887 2.23315 38.8097 12.648 26.3408 28.3984 # 1 # choose from 1 correlated columns 1,3 # choose from 9 for remaining column 2 # 47 ILE HB 30 GLN HB1 47 ILE CB 7490000.000000 451 1.79887 2.23315 38.8097 # asg 1 0.039697 47 ILE HB 30 GLN HB2 47 ILE CB 7490000.000000 451 1.79887 2.23315 38.8097 # asg 1 0.027457 47 ILE HB 34 GLU HB1 47 ILE CB 7490000.000000 451 1.79887 2.23315 38.8097 # asg 1 0.027457 47 ILE HB 67 GLU HB1 47 ILE CB 7490000.000000 451 1.79887 2.23315 38.8097 # asg 1 0.037205 47 ILE HB