6 PRO PSI -35.00 -19.00 7 GLU PHI -75.00 -55.00 7 GLU PSI -54.00 -28.00 8 ALA PHI -75.00 -55.00 8 ALA PSI -53.00 -27.00 9 ALA PHI -78.00 -58.00 9 ALA PSI -49.00 -29.00 10 ARG PHI -71.00 -51.00 10 ARG PSI -54.00 -34.00 11 LEU PHI -72.00 -52.00 11 LEU PSI -52.00 -32.00 12 ARG PHI -76.00 -56.00 12 ARG PSI -48.00 -28.00 13 PHE PHI -74.00 -54.00 13 PHE PSI -49.00 -29.00 14 ARG PHI -91.00 -61.00 14 ARG PSI -34.00 -4.00 15 CYS PHI -106.00 -66.00 15 CYS PSI -51.00 -5.00 16 PHE PHI -112.00 -54.00 16 PHE PSI 120.00 140.00 17 HIS PHI -128.00 -90.00 17 HIS PSI 99.00 143.00 18 TYR PHI -106.00 -68.00 18 TYR PSI 120.00 140.00 20 GLU PHI -70.00 -50.00 20 GLU PSI -38.00 -16.00 21 ALA PHI -80.00 -58.00 21 ALA PSI -50.00 -30.00 22 THR PHI -112.00 -82.00 22 THR PSI -15.00 15.00 24 PRO PSI -41.00 -31.00 25 GLN PHI -77.00 -57.00 25 GLN PSI -46.00 -26.00 26 GLU PHI -75.00 -55.00 26 GLU PSI -54.00 -34.00 27 ALA PHI -72.00 -52.00 27 ALA PSI -53.00 -33.00 28 LEU PHI -71.00 -51.00 28 LEU PSI -53.00 -33.00 29 ALA PHI -76.00 -56.00 29 ALA PSI -48.00 -28.00 30 GLN PHI -78.00 -58.00 30 GLN PSI -51.00 -31.00 31 LEU PHI -71.00 -51.00 31 LEU PSI -52.00 -32.00 32 ARG PHI -76.00 -56.00 32 ARG PSI -50.00 -30.00 33 GLU PHI -79.00 -59.00 33 GLU PSI -50.00 -30.00 34 LEU PHI -74.00 -54.00 34 LEU PSI -52.00 -32.00 35 CYS PHI -76.00 -56.00 35 CYS PSI -50.00 -30.00 36 ARG PHI -73.00 -53.00 36 ARG PSI -51.00 -31.00 37 GLN PHI -76.00 -56.00 37 GLN PSI -47.00 -17.00 42 GLU PHI -78.00 -58.00 42 GLU PSI -40.00 -6.00 43 VAL PHI -118.00 -86.00 43 VAL PSI -29.00 -5.00 45 SER PHI -113.00 -71.00 45 SER PSI 155.00 175.00 46 LYS PHI -69.00 -49.00 46 LYS PSI -48.00 -28.00 47 GLU PHI -73.00 -53.00 47 GLU PSI -50.00 -30.00 48 GLN PHI -76.00 -56.00 48 GLN PSI -48.00 -28.00 49 MET PHI -75.00 -55.00 49 MET PSI -52.00 -32.00 50 LEU PHI -73.00 -53.00 50 LEU PSI -52.00 -32.00 51 GLU PHI -75.00 -55.00 51 GLU PSI -54.00 -34.00 52 LEU PHI -74.00 -54.00 52 LEU PSI -51.00 -31.00 53 LEU PHI -77.00 -57.00 53 LEU PSI -51.00 -31.00 54 VAL PHI -78.00 -58.00 54 VAL PSI -55.00 -35.00 55 LEU PHI -70.00 -50.00 55 LEU PSI -57.00 -37.00 56 GLU PHI -73.00 -53.00 56 GLU PSI -52.00 -32.00 57 GLN PHI -74.00 -54.00 57 GLN PSI -46.00 -26.00 58 PHE PHI -74.00 -54.00 58 PHE PSI -55.00 -35.00 59 LEU PHI -72.00 -52.00 59 LEU PSI -49.00 -29.00 60 GLY PHI -80.00 -56.00 60 GLY PSI -46.00 -8.00 # 97 PRO PSI 132.2 154.9 # 98 PRO PSI -46.0 -28.0 # 99 GLU PHI -76.0 -56.0 65 GLU PSI -47.00 -27.00 66 ILE PHI -73.00 -53.00 66 ILE PSI -52.00 -32.00 67 GLN PHI -71.00 -51.00 67 GLN PSI -51.00 -31.00 68 ALA PHI -72.00 -52.00 68 ALA PSI -51.00 -31.00 69 ARG PHI -73.00 -53.00 69 ARG PSI -53.00 -33.00 70 VAL PHI -77.00 -57.00 70 VAL PSI -54.00 -34.00 71 GLN PHI -72.00 -52.00 71 GLN PSI -52.00 -30.00 72 GLY PHI -79.00 -59.00 72 GLY PSI -40.00 -6.00 76 GLY PHI 58.00 92.00 76 GLY PSI -10.00 46.00 78 PRO PSI -44.00 -28.00 79 GLU PHI -75.00 -55.00 79 GLU PSI -51.00 -31.00 80 GLU PHI -74.00 -54.00 80 GLU PSI -54.00 -34.00 81 ALA PHI -76.00 -56.00 81 ALA PSI -49.00 -29.00 82 ALA PHI -73.00 -53.00 82 ALA PSI -50.00 -30.00 83 ALA PHI -74.00 -54.00 83 ALA PSI -50.00 -30.00 84 LEU PHI -79.00 -59.00 84 LEU PSI -48.00 -28.00 85 VAL PHI -74.00 -54.00 85 VAL PSI -53.00 -33.00 86 ASP PHI -69.00 -49.00 86 ASP PSI -52.00 -32.00 87 GLY PHI -84.00 -58.00 87 GLY PSI -50.00 -16.00 88 LEU PHI -91.00 -55.00 88 LEU PSI -55.00 3.00 #second molecule 306 PRO PSI -35.00 -19.00 307 GLU PHI -75.00 -55.00 307 GLU PSI -54.00 -28.00 308 ALA PHI -75.00 -55.00 308 ALA PSI -53.00 -27.00 309 ALA PHI -78.00 -58.00 309 ALA PSI -49.00 -29.00 310 ARG PHI -71.00 -51.00 310 ARG PSI -54.00 -34.00 311 LEU PHI -72.00 -52.00 311 LEU PSI -52.00 -32.00 312 ARG PHI -76.00 -56.00 312 ARG PSI -48.00 -28.00 313 PHE PHI -74.00 -54.00 313 PHE PSI -49.00 -29.00 314 ARG PHI -91.00 -61.00 314 ARG PSI -34.00 -4.00 315 CYS PHI -106.00 -66.00 315 CYS PSI -51.00 -5.00 316 PHE PHI -112.00 -54.00 316 PHE PSI 120.00 140.00 317 HIS PHI -128.00 -90.00 317 HIS PSI 99.00 143.00 318 TYR PHI -106.00 -68.00 318 TYR PSI 120.00 140.00 320 GLU PHI -70.00 -50.00 320 GLU PSI -38.00 -16.00 321 ALA PHI -80.00 -58.00 321 ALA PSI -50.00 -30.00 322 THR PHI -112.00 -82.00 322 THR PSI -15.00 15.00 324 PRO PSI -41.00 -31.00 325 GLN PHI -77.00 -57.00 325 GLN PSI -46.00 -26.00 326 GLU PHI -75.00 -55.00 326 GLU PSI -54.00 -34.00 327 ALA PHI -72.00 -52.00 327 ALA PSI -53.00 -33.00 328 LEU PHI -71.00 -51.00 328 LEU PSI -53.00 -33.00 329 ALA PHI -76.00 -56.00 329 ALA PSI -48.00 -28.00 330 GLN PHI -78.00 -58.00 330 GLN PSI -51.00 -31.00 331 LEU PHI -71.00 -51.00 331 LEU PSI -52.00 -32.00 332 ARG PHI -76.00 -56.00 332 ARG PSI -50.00 -30.00 333 GLU PHI -79.00 -59.00 333 GLU PSI -50.00 -30.00 334 LEU PHI -74.00 -54.00 334 LEU PSI -52.00 -32.00 335 CYS PHI -76.00 -56.00 335 CYS PSI -50.00 -30.00 336 ARG PHI -73.00 -53.00 336 ARG PSI -51.00 -31.00 337 GLN PHI -76.00 -56.00 337 GLN PSI -47.00 -17.00 342 GLU PHI -78.00 -58.00 342 GLU PSI -40.00 -6.00 343 VAL PHI -118.00 -86.00 343 VAL PSI -29.00 -5.00 345 SER PHI -113.00 -71.00 345 SER PSI 155.00 175.00 346 LYS PHI -69.00 -49.00 346 LYS PSI -48.00 -28.00 347 GLU PHI -73.00 -53.00 347 GLU PSI -50.00 -30.00 348 GLN PHI -76.00 -56.00 348 GLN PSI -48.00 -28.00 349 MET PHI -75.00 -55.00 349 MET PSI -52.00 -32.00 350 LEU PHI -73.00 -53.00 350 LEU PSI -52.00 -32.00 351 GLU PHI -75.00 -55.00 351 GLU PSI -54.00 -34.00 352 LEU PHI -74.00 -54.00 352 LEU PSI -51.00 -31.00 353 LEU PHI -77.00 -57.00 353 LEU PSI -51.00 -31.00 354 VAL PHI -78.00 -58.00 354 VAL PSI -55.00 -35.00 355 LEU PHI -70.00 -50.00 355 LEU PSI -57.00 -37.00 356 GLU PHI -73.00 -53.00 356 GLU PSI -52.00 -32.00 357 GLN PHI -74.00 -54.00 357 GLN PSI -46.00 -26.00 358 PHE PHI -74.00 -54.00 358 PHE PSI -55.00 -35.00 359 LEU PHI -72.00 -52.00 359 LEU PSI -49.00 -29.00 360 GLY PHI -80.00 -56.00 360 GLY PSI -46.00 -8.00 #397 PRO PSI 132.2 154.9 #398 PRO PSI -46.0 -28.0 #399 GLU PHI -76.0 -56.0 365 GLU PSI -47.00 -27.00 366 ILE PHI -73.00 -53.00 366 ILE PSI -52.00 -32.00 367 GLN PHI -71.00 -51.00 367 GLN PSI -51.00 -31.00 368 ALA PHI -72.00 -52.00 368 ALA PSI -51.00 -31.00 369 ARG PHI -73.00 -53.00 369 ARG PSI -53.00 -33.00 370 VAL PHI -77.00 -57.00 370 VAL PSI -54.00 -34.00 371 GLN PHI -72.00 -52.00 371 GLN PSI -52.00 -30.00 372 GLY PHI -79.00 -59.00 372 GLY PSI -40.00 -6.00 376 GLY PHI 58.00 92.00 376 GLY PSI -10.00 46.00 378 PRO PSI -44.00 -28.00 379 GLU PHI -75.00 -55.00 379 GLU PSI -51.00 -31.00 380 GLU PHI -74.00 -54.00 380 GLU PSI -54.00 -34.00 381 ALA PHI -76.00 -56.00 381 ALA PSI -49.00 -29.00 382 ALA PHI -73.00 -53.00 382 ALA PSI -50.00 -30.00 383 ALA PHI -74.00 -54.00 383 ALA PSI -50.00 -30.00 384 LEU PHI -79.00 -59.00 384 LEU PSI -48.00 -28.00 385 VAL PHI -74.00 -54.00 385 VAL PSI -53.00 -33.00 386 ASP PHI -69.00 -49.00 386 ASP PSI -52.00 -32.00 387 GLY PHI -84.00 -58.00 387 GLY PSI -50.00 -16.00 388 LEU PHI -91.00 -55.00 388 LEU PSI -55.00 3.00