Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 819.28 45 0.0814 3.33 485 271.1 0.86 86 9.9120 57.38 2 836.98 37 0.0807 4.16 558 304.7 1.02 10710.1973 42.59 3 852.26 32 0.0759 4.23 615 338.7 1.30 11016.0682127.59 4 858.36 40 0.0787 3.72 686 358.6 0.97 12612.0200 57.97 5 870.99 42 0.0813 4.16 592 312.4 0.98 11811.9936 74.02 6 904.38 45 0.0816 2.80 636 331.4 1.09 11013.0283 92.17 7 911.78 41 0.0776 3.22 719 380.1 1.41 12115.4824 87.20 8 914.33 48 0.0820 2.57 629 337.7 1.10 12212.4623 67.30 9 933.76 51 0.0836 3.62 664 346.0 1.01 10511.3441 49.77 10 955.84 44 0.0831 2.98 650 343.3 1.02 12614.4725 69.36 11 972.23 53 0.0862 3.72 662 336.0 0.98 11512.6676 61.63 12 978.02 48 0.0836 2.56 674 357.0 1.01 12414.0414 61.83 13 1032.76 57 0.0869 3.03 730 381.0 0.98 12813.1529 50.43 14 1038.67 51 0.0840 2.79 778 413.0 1.24 12413.9867 59.47 15 1044.58 64 0.0864 3.57 707 382.7 1.50 11914.0838 79.79 16 1052.86 52 0.0873 3.27 725 376.4 0.98 13214.8930 80.09 17 1057.28 52 0.0866 3.36 714 377.5 1.15 11416.0660135.75 18 1061.69 58 0.0877 3.74 699 369.6 1.01 11915.3000 87.06 19 1069.63 54 0.0878 3.17 769 408.6 1.08 12113.1567 84.79 20 1075.25 53 0.0874 3.39 749 404.7 1.40 12913.8133 70.37 Ave 962.05 48 0.0835 3.37 672 356.5 1.10 11813.4071 74.83 +/- 85.37 8 0.0035 0.49 71 35.3 0.17 10 1.7198 23.22 Min 819.28 32 0.0759 2.56 485 271.1 0.86 86 9.9120 42.59 Max 1075.25 64 0.0878 4.23 778 413.0 1.50 13216.0682135.75 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H GLU 41 - HG2 PRO 409 4.24 6 1.11 2.07 + + + + *+ peak 2045 H ARG 70 - HG2 PRO 109 H ARG 70 - HG2 PRO 409 HG3 PRO 97 - H VAL 104 HG3 PRO 98 - H VAL 104 H VAL 104 - HG2 PRO 109 H VAL 104 - HG3 PRO 397 H VAL 104 - HG3 PRO 398 H VAL 104 - HG2 PRO 409 HB3 HIS 51 - QB ARG 66 QB ARG 66 - HB3 HIS 351 HB3 HIS 51 - HG2 GLN 91 HG2 GLN 91 - HB3 HIS 351 HB3 HIS 51 - HG LEU 96 HG LEU 96 - HB3 HIS 351 Upper HB3 GLU 41 - HB3 PRO 126 3.28 14 2.15 3.46 +* +++ +++++ ++++ peak 3690 HB3 GLU 41 - HB3 PRO 426 HB3 ARG 74 - HB2 PRO 109 HB3 ARG 74 - HB2 PRO 409 HB2 ARG 108 - HB2 PRO 109 Upper QB ARG 46 - QE PHE 47 3.82 8 1.28 2.03 +++ + + +*+ peak 313 QB ARG 46 - QE PHE 347 QE PHE 47 - QB ALA 61 QB ALA 61 - QE PHE 347 QE PHE 47 - HB2 LEU 93 HB2 LEU 93 - QE PHE 347 QE PHE 47 - HB3 ARG 103 HB3 ARG 103 - QE PHE 347 QE PHE 47 - HB3 PRO 112 HB3 PRO 112 - QE PHE 347 Upper QE PHE 47 - HA ARG 74 3.89 7 1.34 2.89 * + + + +++ peak 3625 QE PHE 47 - HA ARG 374 H GLU 67 - HA ARG 74 H GLU 67 - HA ARG 374 H TRP 72 - HA ARG 74 H TRP 72 - HA ARG 374 HZ2 TRP 72 - HA ARG 74 HZ2 TRP 72 - HA ARG 374 HA ARG 74 - H ILE 100 H ILE 100 - HA ARG 374 HA ARG 74 - H ARG 103 H ARG 103 - HA ARG 374 HE21 GLN 71 - QG GLN 107 HE21 GLN 71 - QG GLN 407 H GLN 82 - QG GLN 107 H GLN 82 - QG GLN 407 Upper H HIS 51 - QE TYR 52 4.20 19 2.32 2.89 ++++++++++++* ++++++ peak 57 H HIS 51 - QE TYR 352 QE TYR 52 - H ALA 63 H ALA 63 - QE TYR 352 H GLY 94 - QE TYR 352 QE TYR 52 - H ALA 117 H ALA 117 - QE TYR 352 Upper H TYR 52 - HA GLU 54 4.22 16 1.81 2.31 ++ ++ +++++++++ ++* peak 2614 HA GLU 54 - H TYR 352 H TYR 52 - HD3 PRO 58 HD3 PRO 58 - H TYR 352 H TYR 52 - HD2 PRO 97 HD2 PRO 97 - H TYR 352 QB ALA 63 - HG2 GLN 71 QB ALA 63 - HG2 GLN 371 HB2 LEU 96 - HG2 GLN 371 Upper QE TYR 52 - QB ALA 55 3.41 16 1.52 2.27 ++ +++ ++++++++ *++ peak 8135 QB ALA 55 - QE TYR 352 QE TYR 52 - QB ALA 102 QB ALA 102 - QE TYR 352 QE TYR 52 - QB ALA 115 QB ALA 115 - QE TYR 352 QB ALA 116 - H GLN 359 Upper HA GLU 54 - HA THR 56 4.14 9 1.31 1.94 ++ * + ++ ++ + peak 2060 HA GLU 54 - HA THR 356 HA THR 56 - HD3 PRO 58 QB TYR 52 - QD2 LEU 396 Upper HG2 PRO 58 - HA PRO 112 3.95 8 1.08 2.02 + ++ + +*+ + peak 8271 HG2 PRO 58 - HA PRO 412 HB2 GLN 64 - HA PRO 112 HB2 GLN 64 - HA PRO 412 HG3 GLU 85 - HA PRO 112 HG3 GLU 85 - HA PRO 412 HB2 LEU 89 - HA PRO 112 HB2 LEU 89 - HA PRO 412 HG2 PRO 97 - HA PRO 112 HG2 PRO 97 - HA PRO 412 HA PRO 112 - HG3 GLU 114 HG3 GLU 114 - HA PRO 412 QD1 LEU 87 - QD2 LEU 373 Upper HD3 PRO 58 - HG13 ILE 400 3.79 14 1.81 2.77 *+ + + ++++++ ++++ peak 8263 HA ARG 66 - HG13 ILE 100 HA ARG 66 - HG13 ILE 400 HA LYS 80 - HG13 ILE 100 HA LYS 80 - HG13 ILE 400 HA3 GLY 94 - HG13 ILE 100 HA3 GLY 94 - HG13 ILE 400 HG13 ILE 100 - HA VAL 104 HA VAL 104 - HG13 ILE 400 HG13 ILE 100 - HD3 PRO 112 HD3 PRO 112 - HG13 ILE 400 HB2 PRO 58 - QD1 LEU 68 QD1 LEU 68 - HB2 PRO 358 Upper HA GLN 59 - QB ALA 61 3.39 7 1.17 2.21 ++++ * + + peak 8318 HA GLN 59 - QB ALA 361 QB ALA 61 - HA PRO 112 HA PRO 112 - QB ALA 361 HA GLN 82 - QD1 LEU 84 HA GLN 82 - QD1 LEU 384 QD1 LEU 84 - HA LEU 89 HA LEU 89 - QD1 LEU 384 Upper H ALA 61 - HA LEU 96 3.48 13 1.45 2.65 ++ +* ++++ +++ + + peak 3638 H ALA 61 - HA LEU 396 H GLY 94 - HA LEU 96 H GLY 94 - HA LEU 396 HA LEU 96 - H ALA 117 H ALA 117 - HA LEU 396 HA GLN 71 - HD2 ARG 408 HD2 PRO 75 - HD2 ARG 108 HD2 PRO 75 - HD2 ARG 408 HD2 ARG 108 - HB3 SER 111 HB3 SER 111 - HD2 ARG 408 Upper QD1 LEU 65 - H GLN 71 3.76 7 1.34 2.58 + ++ + + * + peak 893 QD1 LEU 65 - H GLN 371 HB3 LEU 73 - H GLN 371 H GLN 71 - QD1 LEU 84 QD1 LEU 84 - H GLN 371 QB ALA 55 - H ALA 61 QB ALA 55 - H ALA 361 H ALA 61 - QB ALA 102 QB ALA 102 - H ALA 361 H ALA 61 - QB ALA 115 QB ALA 115 - H ALA 361 Upper QB ARG 66 - H SER 79 3.63 17 2.12 2.97 +++++ +++++++* ++++ peak 1033 QB ARG 66 - H SER 379 H SER 79 - HB2 LYS 80 HB2 LYS 80 - H SER 379 Upper H LEU 68 - HA LEU 96 4.37 8 1.19 2.02 + + +* ++ + + peak 3990 H LEU 68 - HA LEU 396 H LEU 89 - HA LEU 396 HA LEU 96 - H GLN 101 H GLN 101 - HA LEU 396 H GLN 91 - HG LEU 422 H ALA 115 - HG LEU 122 H ALA 115 - HG LEU 422 Upper HA CYS 69 - HB3 LEU 73 3.50 10 1.18 2.34 *+ ++++++ + + peak 8116 HB3 LEU 73 - HA CYS 369 HA CYS 69 - QG1 VAL 88 QG1 VAL 88 - HA CYS 369 HA CYS 69 - QD1 LEU 93 QD1 LEU 93 - HA CYS 369 HA CYS 69 - QD1 LEU 118 QD1 LEU 118 - HA CYS 369 HA CYS 69 - QD2 LEU 118 QD2 LEU 118 - HA CYS 369 QD1 ILE 100 - HG3 PRO 358 Upper HA GLN 71 - H ARG 108 3.58 13 1.97 4.16 +++ * + +++ + ++++ peak 1014 HA GLN 71 - H ARG 408 HD2 PRO 75 - H ARG 108 HD2 PRO 75 - H ARG 408 HA GLN 105 - H ARG 408 H ARG 108 - HB3 SER 111 HB3 SER 111 - H ARG 408 H ARG 108 - HA PRO 112 HA PRO 112 - H ARG 408 QB ALA 61 - H GLU 376 H GLU 76 - HB3 PRO 109 HB3 PRO 109 - H GLU 376 Upper HA GLN 71 - QG ARG 108 3.53 11 1.67 3.72 ++ *++ + + ++ + + peak 3660 HA GLN 71 - QG ARG 408 HD2 PRO 75 - QG ARG 108 HD2 PRO 75 - QG ARG 408 HB3 SER 79 - QG ARG 108 HB3 SER 79 - QG ARG 408 HA ILE 100 - QG ARG 108 HA ILE 100 - QG ARG 408 QG ARG 108 - HB3 SER 111 HB3 SER 111 - QG ARG 408 QA GLY 121 - QG ARG 408 H ARG 48 - HA ARG 108 H ARG 48 - HA ARG 408 H ARG 74 - HA GLN 107 H ARG 74 - HA ARG 108 H ARG 74 - HA GLN 407 H ARG 74 - HA ARG 408 Upper HB2 TRP 72 - H ARG 74 4.40 9 1.28 2.75 * ++ +++ ++ + peak 3688 H ARG 74 - HB2 TRP 372 HD2 ARG 70 - HB3 PRO 109 HD2 ARG 70 - HB3 PRO 409 HA LEU 73 - HB3 PRO 109 HA LEU 73 - HB3 PRO 409 QD ARG 74 - HB3 PRO 109 QD ARG 74 - HB3 PRO 409 HD3 PRO 75 - HB3 PRO 109 HD3 PRO 75 - HB3 PRO 409 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 14 1.80 2.32 * + ++ ++++ ++++++ peak 214 HB3 TRP 72 - HZ3 TRP 372 Upper HE1 TRP 72 - HB2 LEU 86 3.29 10 1.50 3.74 ++ ++ ++++*+ peak 8164 HB2 LEU 86 - HE1 TRP 372 HE1 TRP 72 - HG LEU 86 HG LEU 86 - HE1 TRP 372 HG LEU 87 - HE1 TRP 372 QB ALA 95 - QE PHE 350 Upper QG1 VAL 77 - QG ARG 108 3.38 7 1.23 3.14 + * +++++ peak 3266 QG1 VAL 77 - QG ARG 408 QG2 VAL 77 - QG ARG 108 QG2 VAL 77 - QG ARG 408 HB2 LEU 45 - QD2 LEU 93 HB2 LEU 45 - QD2 LEU 393 HB2 LEU 62 - QD2 LEU 93 HB2 LEU 62 - QD2 LEU 393 HG2 ARG 70 - QD2 LEU 93 HG2 ARG 70 - QD2 LEU 393 QD2 LEU 93 - HG3 PRO 109 HG3 PRO 109 - QD2 LEU 393 Upper QD PHE 92 - HG2 PRO 97 4.82 11 1.40 1.92 ++ ++ + *+ + ++ + peak 3431 QD PHE 92 - HG2 PRO 397 H LEU 96 - HG2 PRO 97 H LEU 96 - HG2 PRO 397 Upper QD PHE 92 - QG2 ILE 100 4.37 7 1.06 1.99 + + ++ *+ + peak 250 QD PHE 92 - QG2 ILE 400 H LEU 96 - QG2 ILE 100 H LEU 96 - QG2 ILE 400 HE1 TRP 72 - HA LEU 87 HA LEU 87 - HE1 TRP 372 Upper QD2 LEU 96 - H VAL 119 3.70 7 1.31 2.12 +* ++ +++ peak 1781 H VAL 119 - QD2 LEU 396 HB3 LEU 62 - QD2 LEU 73 HB3 LEU 62 - QD2 LEU 373 Upper HG13 ILE 100 - HD3 PRO 358 3.79 13 1.77 2.97 + +++ +++ +++ *+ + peak 8263 HA ARG 366 - HG13 ILE 400 HG13 ILE 100 - HA ARG 366 HA LYS 380 - HG13 ILE 400 HG13 ILE 100 - HA LYS 380 HA3 GLY 394 - HG13 ILE 400 HG13 ILE 100 - HA3 GLY 394 HG13 ILE 400 - HA VAL 404 HG13 ILE 100 - HA VAL 404 HG13 ILE 400 - HD3 PRO 412 HG13 ILE 100 - HD3 PRO 412 HB2 PRO 358 - QD1 LEU 368 HB2 PRO 58 - QD1 LEU 368 Upper HG2 PRO 109 - H GLU 341 4.24 6 1.20 2.01 + + ++ + * peak 2045 H ARG 370 - HG2 PRO 409 HG2 PRO 109 - H ARG 370 HG3 PRO 397 - H VAL 404 HG3 PRO 398 - H VAL 404 H VAL 404 - HG2 PRO 409 HG3 PRO 97 - H VAL 404 HG3 PRO 98 - H VAL 404 HG2 PRO 109 - H VAL 404 HB3 HIS 351 - QB ARG 366 HB3 HIS 51 - QB ARG 366 HB3 HIS 351 - HG2 GLN 391 HB3 HIS 51 - HG2 GLN 391 HB3 HIS 351 - HG LEU 396 HB3 HIS 51 - HG LEU 396 Upper HB3 GLU 341 - HB3 PRO 426 3.28 18 2.43 3.39 + ++++++++++++++++ * peak 3690 HB3 PRO 126 - HB3 GLU 341 HB3 ARG 374 - HB2 PRO 409 HB2 PRO 109 - HB3 ARG 374 HB2 ARG 408 - HB2 PRO 409 Upper QB ARG 346 - QE PHE 347 3.82 9 1.38 2.02 + *+ + ++ ++ + peak 313 QE PHE 47 - QB ARG 346 QE PHE 347 - QB ALA 361 QE PHE 47 - QB ALA 361 QE PHE 347 - HB2 LEU 393 QE PHE 47 - HB2 LEU 393 QE PHE 347 - HB3 ARG 403 QE PHE 47 - HB3 ARG 403 QE PHE 347 - HB3 PRO 412 QE PHE 47 - HB3 PRO 412 Upper H HIS 351 - QE TYR 352 4.20 19 2.30 2.88 ++++++++++ +++++++*+ peak 57 QE TYR 52 - H HIS 351 QE TYR 352 - H ALA 363 QE TYR 52 - H ALA 363 QE TYR 52 - H GLY 394 QE TYR 352 - H ALA 417 QE TYR 52 - H ALA 417 Upper H TYR 352 - HA GLU 354 4.22 10 1.45 2.17 * ++ ++ +++++ peak 2614 H TYR 52 - HA GLU 354 H TYR 352 - HD3 PRO 358 H TYR 52 - HD3 PRO 358 H TYR 352 - HD2 PRO 397 H TYR 52 - HD2 PRO 397 QB ALA 363 - HG2 GLN 371 HG2 GLN 71 - QB ALA 363 HG2 GLN 71 - HB2 LEU 396 Upper QE TYR 352 - QB ALA 355 3.41 9 1.43 1.99 ++++ ++ ++* peak 8135 QE TYR 52 - QB ALA 355 QE TYR 352 - QB ALA 402 QE TYR 52 - QB ALA 402 QE TYR 352 - QB ALA 415 QE TYR 52 - QB ALA 415 H GLN 59 - QB ALA 416 Upper QE TYR 352 - QB ALA 395 3.75 8 1.10 2.43 ++ +* + + ++ peak 1734 QE TYR 52 - QB ALA 395 QE TYR 52 - HG12 ILE 400 HB2 PHE 347 - QG2 VAL 377 QG2 VAL 77 - HB2 PHE 347 QG2 VAL 377 - HD2 ARG 408 QG2 VAL 77 - HD2 ARG 408 Upper HA GLU 354 - HA THR 356 4.14 7 1.16 1.71 *+ + + +++ peak 2060 HA THR 56 - HA GLU 354 HA THR 356 - HD3 PRO 358 QD2 LEU 96 - QB TYR 352 Upper HG2 PRO 358 - HA PRO 412 3.95 7 1.06 1.99 ++ * + + + + peak 8271 HA PRO 112 - HG2 PRO 358 HB2 GLN 364 - HA PRO 412 HA PRO 112 - HB2 GLN 364 HG3 GLU 385 - HA PRO 412 HA PRO 112 - HG3 GLU 385 HB2 LEU 389 - HA PRO 412 HA PRO 112 - HB2 LEU 389 HG2 PRO 397 - HA PRO 412 HA PRO 112 - HG2 PRO 397 HA PRO 412 - HG3 GLU 414 HA PRO 112 - HG3 GLU 414 QD2 LEU 73 - QD1 LEU 387 Upper HA GLN 359 - QB ALA 361 3.39 8 1.40 2.12 * +++ + ++ + peak 8318 QB ALA 61 - HA GLN 359 QB ALA 361 - HA PRO 412 QB ALA 61 - HA PRO 412 HA GLN 382 - QD1 LEU 384 QD1 LEU 84 - HA GLN 382 QD1 LEU 384 - HA LEU 389 QD1 LEU 84 - HA LEU 389 Upper H ALA 361 - HA LEU 396 3.48 8 1.09 2.79 ++ + + + + *+ peak 3638 HA LEU 96 - H ALA 361 H GLY 394 - HA LEU 396 HA LEU 96 - H GLY 394 HA LEU 396 - H ALA 417 HA LEU 96 - H ALA 417 HD2 ARG 108 - HA GLN 371 HD2 PRO 375 - HD2 ARG 408 HD2 ARG 108 - HD2 PRO 375 HD2 ARG 408 - HB3 SER 411 HD2 ARG 108 - HB3 SER 411 Upper QD1 LEU 362 - HG2 PRO 412 2.83 6 0.83 2.11 + * ++ + + peak 1645 HG2 PRO 112 - QD1 LEU 362 HB3 ARG 378 - QE MET 383 QE MET 83 - HB3 ARG 378 Upper QB ARG 366 - H SER 379 3.63 16 2.25 2.92 + ++ +*+++++++++++ peak 1033 H SER 79 - QB ARG 366 H SER 379 - HB2 LYS 380 H SER 79 - HB2 LYS 380 Upper H LEU 368 - HA LEU 396 4.37 9 1.22 2.01 +* + ++++ ++ peak 3990 HA LEU 96 - H LEU 368 HA LEU 96 - H LEU 389 HA LEU 396 - H GLN 401 HA LEU 96 - H GLN 401 HG LEU 122 - H GLN 391 H ALA 415 - HG LEU 422 HG LEU 122 - H ALA 415 Upper HA CYS 369 - HB3 LEU 373 3.50 7 1.21 2.56 + +++ + * + peak 8116 HA CYS 69 - HB3 LEU 373 HA CYS 369 - QG1 VAL 388 HA CYS 69 - QG1 VAL 388 HA CYS 369 - QD1 LEU 393 HA CYS 69 - QD1 LEU 393 HA CYS 369 - QD1 LEU 418 HA CYS 69 - QD1 LEU 418 HA CYS 369 - QD2 LEU 418 HA CYS 69 - QD2 LEU 418 HG3 PRO 58 - QD1 ILE 400 Upper HA GLN 371 - H ARG 408 3.58 17 2.15 4.23 + *+++++++ +++++++ + peak 1014 H ARG 108 - HA GLN 371 HD2 PRO 375 - H ARG 408 H ARG 108 - HD2 PRO 375 H ARG 108 - HA GLN 405 H ARG 408 - HB3 SER 411 H ARG 108 - HB3 SER 411 H ARG 408 - HA PRO 412 H ARG 108 - HA PRO 412 H GLU 76 - QB ALA 361 H GLU 376 - HB3 PRO 409 H GLU 76 - HB3 PRO 409 Upper HA TRP 372 - HD1 TRP 372 3.10 8 1.03 1.70 + ++++ + + * peak 50 HD1 TRP 72 - HA TRP 372 Upper HB2 TRP 372 - H ARG 374 4.40 9 1.34 2.43 + +++ *++++ peak 3688 HB2 TRP 72 - H ARG 374 HD2 ARG 370 - HB3 PRO 409 HB3 PRO 109 - HD2 ARG 370 HA LEU 373 - HB3 PRO 409 HB3 PRO 109 - HA LEU 373 QD ARG 374 - HB3 PRO 409 HB3 PRO 109 - QD ARG 374 HD3 PRO 375 - HB3 PRO 409 HB3 PRO 109 - HD3 PRO 375 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 17 1.94 2.33 ++++ +++++++++ +++* peak 214 HZ3 TRP 72 - HB3 TRP 372 Upper HB3 TRP 372 - H ARG 374 3.91 7 1.22 2.12 + + + + ++* peak 268 H ARG 74 - HB3 TRP 372 H ARG 374 - HD3 ARG 378 H ARG 74 - HD3 ARG 378 QE PHE 350 - QB ALA 355 QE PHE 50 - QB ALA 355 QE PHE 350 - QB ALA 402 QE PHE 50 - QB ALA 402 Upper HE1 TRP 372 - HB2 LEU 386 3.29 12 1.49 2.77 * ++ + +++++ +++ peak 8164 HE1 TRP 72 - HB2 LEU 386 HE1 TRP 372 - HG LEU 386 HE1 TRP 72 - HG LEU 386 HE1 TRP 72 - HG LEU 387 QE PHE 50 - QB ALA 395 Upper QG1 VAL 377 - QG ARG 408 3.74 9 1.36 2.51 ++++++ * + + peak 927 QG ARG 108 - QG1 VAL 377 QG2 VAL 377 - QG ARG 408 QG ARG 108 - QG2 VAL 377 QB ALA 355 - HE22 GLN 364 HE22 GLN 64 - QB ALA 355 HE22 GLN 364 - QB ALA 402 HE22 GLN 64 - QB ALA 402 Upper QD PHE 392 - HG2 PRO 397 4.82 9 1.40 1.91 ++ + +*+++ + peak 3431 HG2 PRO 97 - QD PHE 392 H LEU 396 - HG2 PRO 397 HG2 PRO 97 - H LEU 396 Upper HB2 PRO 397 - HB ILE 400 3.70 7 1.21 1.85 + *+++ ++ peak 3655 HB2 PRO 97 - HB ILE 400 HB2 PRO 397 - HG3 PRO 412 HB2 PRO 97 - HG3 PRO 412 HB2 PRO 397 - HB3 ARG 424 HB2 PRO 97 - HB3 ARG 424 H ARG 348 - HD2 ARG 408 HD2 ARG 108 - H ARG 348 H ARG 374 - HD2 ARG 408 HD2 ARG 108 - H ARG 374 VdW O ALA 43 - N PHE 47 2.75 8 0.15 0.56 + ++ * + ++ + VdW O ALA 43 - HB3 PHE 47 2.30 6 0.13 0.55 + +++ * + VdW HB2 PHE 47 - HB2 LEU 68 2.00 6 0.13 0.65 ++ *+ ++ VdW CG PHE 47 - C PHE 47 2.90 9 0.14 0.25 ++++ * ++ + + VdW CZ PHE 47 - C LEU 87 3.10 6 0.11 0.41 + * + +++ VdW CZ PHE 47 - O LEU 87 2.90 7 0.13 0.61 + + + ++* + VdW HZ PHE 47 - O LEU 87 2.30 9 0.17 0.68 + + + +++*+ + VdW HZ PHE 47 - HA VAL 88 2.00 7 0.14 0.46 + ++ + *+ + VdW CD2 PHE 47 - C PHE 47 3.10 6 0.08 0.40 + + + + * + VdW C PHE 47 - H CYS 49 2.45 8 0.17 0.42 * ++ ++ ++ + VdW CD1 PHE 50 - N HIS 51 3.05 7 0.14 0.38 + * ++ ++ + VdW CG HIS 51 - C HIS 51 2.90 7 0.12 0.25 *++ + + ++ VdW H TYR 52 - CB ALA 95 2.55 8 0.18 0.41 + + * +++ + + VdW CD1 TYR 52 - C TYR 52 3.10 10 0.24 0.61 ++ +*+ ++ + + + VdW HD1 TYR 52 - C TYR 52 2.50 8 0.17 0.51 *+ ++ ++ + + VdW HD1 TYR 52 - N GLU 53 2.45 8 0.16 0.48 + ++ +* + + + VdW CE1 TYR 52 - C GLY 57 3.10 7 0.13 0.48 * + ++ + + + VdW CD2 TYR 52 - C TYR 52 3.10 9 0.20 0.76 + * ++++ + ++ VdW HD2 TYR 52 - C TYR 52 2.50 6 0.16 0.82 + * ++ + + VdW HD2 TYR 52 - N GLU 53 2.45 7 0.15 0.80 + * +++ + + VdW OH TYR 52 - HD3 PRO 58 2.30 16 0.32 0.58 ++ ++++++*++ +++ ++ VdW C GLU 53 - N ALA 55 2.95 11 0.19 0.31 + ++ + + +*+++ + VdW C GLU 53 - H ALA 55 2.45 10 0.18 0.40 ++ *+ + + ++++ VdW O GLU 53 - N ALA 55 2.75 9 0.18 0.46 + ++ + +*++ + VdW HB2 PRO 58 - HA ALA 116 2.00 6 0.16 0.80 ++ +* + + VdW CG PRO 58 - O ALA 116 2.90 8 0.18 0.53 + ++ + + ++* VdW HG2 PRO 58 - O ALA 116 2.30 7 0.13 0.39 * ++ + + + + VdW HG3 PRO 58 - CG2 VAL 119 2.60 6 0.15 0.52 + + ++ * + VdW O PRO 58 - N LEU 62 2.75 12 0.26 0.53 + ++++++ +++ *+ VdW O PRO 58 - H LEU 62 1.80 6 0.10 0.31 + ++ * + + VdW O PRO 58 - CB LEU 62 2.90 10 0.22 0.63 + +* ++ +++++ VdW O GLN 59 - CB ALA 63 2.90 6 0.14 0.54 ++ ++ * + VdW CD1 LEU 62 - CA PRO 112 3.20 7 0.16 0.65 + + * + + ++ VdW CD1 LEU 62 - HA PRO 112 2.60 9 0.26 1.02 + + +* + + ++ + VdW CD1 LEU 62 - CB PRO 112 3.20 6 0.14 0.57 + + + ++ * VdW CD1 LEU 62 - HB2 PRO 112 2.60 7 0.19 0.89 + + + + + + * VdW CD2 LEU 62 - CD2 PHE 92 3.20 6 0.13 0.62 + + + + * + VdW CD2 LEU 62 - CA PRO 112 3.20 7 0.15 0.68 + +* + + + + VdW CD2 LEU 62 - HA PRO 112 2.60 8 0.22 0.83 + ++ * + ++ + VdW CD2 LEU 62 - CB ALA 116 3.20 7 0.14 0.42 + ++ + * + + VdW N GLN 64 - HG2 GLN 64 2.45 6 0.10 0.34 + ++ * + + VdW H GLN 64 - CG GLN 64 2.55 6 0.10 0.27 +* ++ + + VdW H GLN 64 - HG2 GLN 64 1.95 9 0.15 0.51 ++++ * ++ + + VdW H LEU 65 - HG LEU 65 1.95 6 0.11 0.45 + + + + * + VdW O GLU 67 - HG3 GLN 71 2.30 8 0.14 0.39 + ++ + + ++* VdW CA LEU 68 - CD1 LEU 68 3.00 7 0.13 0.27 + + + +* + + VdW SG CYS 69 - C CYS 69 3.10 6 0.11 0.30 + + ++ + * VdW SG CYS 69 - N ARG 70 3.25 10 0.25 0.73 + + +*+ +++ + + VdW SG CYS 69 - CG2 VAL 88 3.40 8 0.15 0.57 + + ++++ *+ VdW O CYS 69 - CD1 TRP 72 2.90 6 0.16 0.79 + + * + ++ VdW CG TRP 72 - C TRP 72 2.90 8 0.12 0.25 *++ ++ ++ + VdW CD1 TRP 72 - C TRP 72 3.10 6 0.15 0.68 ++ + +* + VdW HD1 TRP 72 - O TRP 72 2.30 6 0.22 0.92 ++ + +* + VdW CZ2 TRP 72 - CD2 LEU 73 3.20 7 0.16 0.66 * +++ + ++ VdW HE1 TRP 72 - HG LEU 87 1.95 6 0.13 0.55 + +++ *+ VdW CD1 LEU 73 - HA LEU 84 2.60 6 0.15 0.67 + + * ++ + VdW CD2 LEU 73 - O MET 83 2.90 6 0.12 0.63 +++ + * + VdW HA ARG 74 - CD PRO 75 2.60 10 0.14 0.30 + ++ + ++*+ + + VdW CB ARG 78 - H SER 79 2.55 10 0.18 0.40 + *++ +++++ + VdW O GLU 81 - CG GLU 85 2.90 6 0.10 0.46 ++++ + * VdW CB MET 83 - CE MET 83 3.00 7 0.13 0.25 * ++ + + ++ VdW HB2 MET 83 - CE MET 83 2.60 7 0.14 0.57 ++ + + * + + VdW O MET 83 - N LEU 86 2.75 8 0.12 0.39 + +*+ + ++ + VdW O MET 83 - CD2 LEU 86 2.90 9 0.21 0.64 + ++ ++ + +* + VdW N LEU 84 - CD1 LEU 84 3.05 7 0.14 0.47 + * + + + ++ VdW H LEU 84 - CD2 LEU 84 2.55 6 0.15 0.55 + + ++ * + VdW C LEU 84 - N LEU 86 2.95 8 0.19 0.52 + ++ + ++ *+ VdW C LEU 84 - H LEU 86 2.45 15 0.25 0.72 + ++++ + +++ +++ *++ VdW O LEU 84 - N VAL 88 2.75 8 0.18 0.60 ++ + ++ ++ * VdW HA GLU 85 - CB LEU 89 2.60 11 0.28 0.82 + + ++++*++ + + VdW HA GLU 85 - HB2 LEU 89 2.00 11 0.26 0.80 +++ ++ +++* + + VdW H LEU 86 - CD2 LEU 86 2.55 6 0.12 0.59 * ++ + ++ VdW N LEU 87 - CD1 LEU 87 3.05 6 0.11 0.46 + + +++ * VdW N LEU 87 - CD2 LEU 87 3.05 7 0.16 0.70 ++ + ++ +* VdW H LEU 87 - CD2 LEU 87 2.55 8 0.14 0.56 + ++ + ++ +* VdW CG1 VAL 88 - HG3 PRO 112 2.60 6 0.16 0.86 + *+ +++ VdW O VAL 88 - N GLN 91 2.75 10 0.18 0.56 + + ++++* ++ + VdW O VAL 88 - N PHE 92 2.75 8 0.14 0.42 + + ++ + ++* VdW CA LEU 89 - CD1 LEU 89 3.00 9 0.12 0.26 + + + + *+++ + VdW HA LEU 89 - CD1 LEU 89 2.60 10 0.19 0.48 + + + + +++*+ + VdW O GLN 91 - N ALA 95 2.75 6 0.12 0.56 + +* ++ + VdW O PHE 92 - N LEU 96 2.75 9 0.17 0.54 + +++* + ++ + VdW CB LEU 96 - CD PRO 97 3.20 9 0.25 0.98 * + + ++ ++++ VdW CB LEU 96 - HD2 PRO 97 2.60 11 0.28 0.75 + + + ++ ++ ++*+ VdW HB2 LEU 96 - HD2 PRO 97 2.00 7 0.21 0.77 * ++ ++ + + VdW CG LEU 96 - HD2 PRO 97 2.60 8 0.19 0.76 + ++ + ++ *+ VdW CD1 LEU 96 - HD2 PRO 97 2.60 9 0.24 0.77 ++ + + +++ *+ VdW CD1 LEU 96 - CG1 ILE 100 3.20 6 0.17 0.63 * + ++ + + VdW CD2 LEU 96 - HD2 PRO 97 2.60 6 0.17 0.83 ++ + + * + VdW O LEU 96 - NE2 GLN 101 2.75 9 0.17 0.57 + + * + + ++ + + VdW HA PRO 97 - CD PRO 98 2.60 11 0.21 0.29 +++++ +++ ++ * VdW CG PRO 97 - CG2 ILE 100 3.20 9 0.18 0.37 + +++++ ++ * VdW HG2 PRO 97 - CG2 ILE 100 2.60 16 0.32 0.48 + +*+++++++++ ++++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 14 0.31 0.59 ++ + ++*+++++ ++ + VdW HG2 PRO 97 - HG12 ILE 100 2.00 9 0.20 0.63 * + ++ +++ ++ VdW C PRO 97 - HG3 GLN 101 2.50 6 0.11 0.50 + + * +++ VdW O PRO 97 - N GLN 101 2.75 9 0.20 0.59 + ++++++ * + VdW O PRO 97 - CB GLN 101 2.90 9 0.23 0.81 + + + + +++ * + VdW O PRO 97 - HB2 GLN 101 2.30 6 0.11 0.52 + + + + * + VdW O PRO 97 - CG GLN 101 2.90 11 0.40 0.97 ++ + + + ++ + *++ VdW O PRO 97 - HG3 GLN 101 2.30 10 0.41 1.09 + + * + + ++ +++ VdW N ILE 100 - CG2 ILE 100 2.85 10 0.18 0.25 + * ++++++ + + VdW CG1 ILE 100 - C ILE 100 2.90 18 0.25 0.33 ++ +*+++++++++ +++++ VdW CG1 ILE 100 - N GLN 101 3.05 14 0.27 0.51 ++ ++++++++ +*++ VdW HG13 ILE 100 - C ILE 100 2.50 7 0.14 0.52 + + *+ ++ + VdW HG13 ILE 100 - N GLN 101 2.45 11 0.24 0.75 + ++ +++ + +*++ VdW CD1 ILE 100 - C ILE 100 3.10 8 0.19 0.55 + ++++ + *+ VdW O ILE 100 - C GLN 101 2.80 7 0.15 0.36 + +*+ ++ + VdW O ILE 100 - N ARG 103 2.75 13 0.25 0.50 + + +++*++ ++ + ++ VdW HA GLN 101 - CG1 VAL 104 2.60 7 0.14 0.66 + + +*++ + VdW O GLN 101 - CG1 VAL 104 2.90 6 0.12 0.44 * + + ++ + VdW CB GLN 107 - H ARG 108 2.55 6 0.13 0.39 + + + + +* VdW CB GLN 107 - HD2 PRO 109 2.60 7 0.16 0.51 + + * + +++ VdW CB GLN 107 - HD3 PRO 109 2.60 6 0.13 0.56 + + + * + + VdW HB3 GLN 107 - H ARG 108 1.95 6 0.12 0.44 + + + + * + VdW HB3 GLN 107 - CD PRO 109 2.60 7 0.16 0.60 ++ * + ++ + VdW HB3 GLN 107 - HD2 PRO 109 2.00 7 0.17 0.68 ++ + * + ++ VdW HB3 GLN 107 - HD3 PRO 109 2.00 6 0.10 0.40 + + + * ++ VdW C GLN 107 - CD PRO 109 3.10 14 0.24 0.48 ++++ + ++ +*++++ + VdW C GLN 107 - HD2 PRO 109 2.50 8 0.17 0.66 +*++ ++ ++ VdW C GLN 107 - HD3 PRO 109 2.50 6 0.13 0.55 + + +* + + VdW O GLN 107 - CB ARG 108 2.90 8 0.21 0.60 + + + ++ *++ VdW N ARG 108 - CD PRO 109 3.05 17 0.53 0.81 ++++++ ++++*+++++ + VdW N ARG 108 - HD2 PRO 109 2.45 14 0.37 0.69 ++++++ + +++ +*+ + VdW N ARG 108 - HD3 PRO 109 2.45 8 0.13 0.35 ++ * + +++ + VdW H ARG 108 - CD PRO 109 2.55 6 0.13 0.66 + + *++ + VdW H ARG 108 - HD2 PRO 109 1.95 7 0.19 0.94 ++ *++ ++ VdW C PRO 109 - N SER 111 2.95 13 0.22 0.44 +++ * ++ ++++ ++ + VdW C PRO 109 - H SER 111 2.45 14 0.36 0.71 +++ * ++ ++++ ++ ++ VdW O PRO 109 - N SER 111 2.75 13 0.29 0.68 +++ * ++ ++++ ++ + VdW O PRO 109 - N ALA 115 2.75 6 0.13 0.49 * + + ++ + VdW O GLY 110 - N PRO 112 2.75 7 0.15 0.70 + + + *++ + VdW O GLY 110 - CD PRO 112 2.90 7 0.16 0.59 + * + +++ + VdW O GLY 110 - HD2 PRO 112 2.30 7 0.15 0.50 + + + +++ * VdW O GLY 110 - N GLU 113 2.75 7 0.13 0.56 + + + +*+ + VdW CA SER 111 - CB ALA 115 3.20 8 0.18 0.57 + +* + +++ + VdW CA SER 111 - HB3 ALA 115 2.60 8 0.18 0.72 + ++ + +*++ VdW HA SER 111 - CB ALA 115 2.60 8 0.27 0.94 + +* + +++ + VdW HA SER 111 - HB3 ALA 115 2.00 8 0.20 0.62 + +* + ++++ VdW CB SER 111 - CD PRO 112 3.20 17 0.54 0.90 +++++ ++++ ++*+++ ++ VdW CB SER 111 - HD2 PRO 112 2.60 13 0.37 0.86 +++++ +* +++ + ++ VdW CB SER 111 - HD3 PRO 112 2.60 8 0.20 0.55 + ++ + * ++ + VdW HB3 SER 111 - CD PRO 112 2.60 13 0.43 1.02 +*+ + +++ +++ ++ + VdW HB3 SER 111 - HD2 PRO 112 2.00 11 0.30 0.87 +++++ ++ +* ++ VdW HB3 SER 111 - HD3 PRO 112 2.00 7 0.23 0.97 + + * + ++ + VdW O SER 111 - CB ALA 115 2.90 7 0.24 0.81 + + + ++ +* VdW O SER 111 - HB1 ALA 115 2.30 8 0.19 0.69 + ++++ ++ * VdW CA ALA 115 - HG LEU 118 2.60 6 0.12 0.36 + +++ * + VdW HA ALA 115 - CG LEU 118 2.60 17 0.35 0.58 +++ + +++++++*+++++ VdW HA ALA 115 - HG LEU 118 2.00 8 0.19 0.64 + + + + * + ++ VdW HA ALA 115 - CD1 LEU 118 2.60 9 0.20 0.53 + + +*+ + +++ VdW HA ALA 115 - CD2 LEU 118 2.60 11 0.19 0.59 ++ ++ + ++ +*+ + VdW O ALA 115 - HG LEU 118 2.30 10 0.25 0.69 ++ + * ++++ + + VdW H LEU 118 - CG LEU 118 2.55 9 0.19 0.35 ++ + ++++ + * VdW H LEU 118 - HG LEU 118 1.95 6 0.12 0.29 + + ++ + * VdW O LEU 118 - N LEU 122 2.75 8 0.15 0.36 + + + + + *+ + VdW CG2 VAL 119 - N ASP 120 3.05 9 0.15 0.41 + + * + + +++ + VdW CG2 VAL 119 - H ASP 120 2.55 11 0.16 0.39 + + ++ * + +++ ++ VdW CG PHE 347 - C PHE 347 2.90 8 0.15 0.25 + + ++ +* ++ VdW HZ PHE 347 - C LEU 387 2.50 7 0.13 0.59 + ++* + ++ VdW C PHE 347 - H CYS 349 2.45 8 0.16 0.36 + + + ++ + *+ VdW H TYR 352 - CB ALA 395 2.55 10 0.20 0.58 ++ ++ +*++++ VdW CD1 TYR 352 - C TYR 352 3.10 8 0.20 0.64 *+ + ++ + ++ VdW HD1 TYR 352 - C TYR 352 2.50 7 0.19 0.68 + + *+ + ++ VdW HD1 TYR 352 - N GLU 353 2.45 8 0.17 0.54 ++ + ++ * ++ VdW CE1 TYR 352 - C GLY 357 3.10 7 0.10 0.40 ++ * ++ + + VdW CD2 TYR 352 - C TYR 352 3.10 10 0.25 0.67 + + + ++ ++* ++ VdW HD2 TYR 352 - C TYR 352 2.50 9 0.22 0.89 + + + + +++ +* VdW HD2 TYR 352 - N GLU 353 2.45 9 0.19 0.66 + + ++ +++ +* VdW OH TYR 352 - HD3 PRO 358 2.30 18 0.39 0.67 +++++++++*+++++ +++ VdW C GLU 353 - N ALA 355 2.95 10 0.22 0.42 +++ + + ++ ++ * VdW C GLU 353 - H ALA 355 2.45 11 0.25 0.53 ++++ + + ++ ++ * VdW O GLU 353 - N ALA 355 2.75 9 0.20 0.62 ++ + + ++ ++ * VdW OG1 THR 356 - CB GLU 360 2.90 8 0.12 0.35 +++ ++ + +* VdW CG2 THR 356 - HB3 GLU 360 2.60 6 0.12 0.51 ++ * + ++ VdW HB2 PRO 358 - HA ALA 416 2.00 8 0.17 0.66 + +++ + + + * VdW CG PRO 358 - O ALA 416 2.90 8 0.14 0.43 *+ ++ ++ + + VdW O PRO 358 - N LEU 362 2.75 14 0.29 0.63 +++++ * +++++ +++ VdW O PRO 358 - CB LEU 362 2.90 11 0.24 0.67 ++ ++ + + +++ *+ VdW O PRO 358 - HB3 LEU 362 2.30 8 0.20 0.76 + + * +++ ++ VdW H GLN 359 - HE21 GLN 359 1.90 7 0.14 0.46 + * + + + ++ VdW O GLN 359 - CB ALA 363 2.90 8 0.19 0.71 + + * +++ ++ VdW O GLN 359 - HB2 ALA 363 2.30 6 0.10 0.43 + * ++ ++ VdW O GLU 360 - NE2 GLN 364 2.75 6 0.17 0.48 * ++ ++ + VdW CG LEU 362 - HA PRO 412 2.60 9 0.22 0.75 + ++ + * + + + + VdW CD1 LEU 362 - CA PRO 412 3.20 10 0.19 0.56 + ++ + *++ + + + VdW CD1 LEU 362 - HA PRO 412 2.60 9 0.31 0.93 + ++ + ++* + + VdW CD1 LEU 362 - HB2 PRO 412 2.60 6 0.18 0.89 + + ++ *+ VdW CD1 LEU 362 - CB ALA 416 3.20 6 0.10 0.36 + +++ + * VdW CD2 LEU 362 - CA PRO 412 3.20 8 0.20 0.60 + ++ + + * + + VdW CD2 LEU 362 - HA PRO 412 2.60 9 0.29 0.94 + ++ * + + + + + VdW H GLN 364 - CG GLN 364 2.55 6 0.12 0.40 + ++ + * + VdW H GLN 364 - HG2 GLN 364 1.95 10 0.17 0.44 + +*++ +++ ++ VdW HG LEU 365 - C LEU 365 2.50 6 0.11 0.41 +*+ + + + VdW O ARG 366 - SG CYS 369 3.10 8 0.23 1.00 +++ ++ + * + VdW O GLU 367 - CG GLN 371 2.90 6 0.11 0.38 +++ + * + VdW O GLU 367 - HG3 GLN 371 2.30 6 0.13 0.50 ++ ++* + VdW HA CYS 369 - HD1 TRP 372 2.00 6 0.14 0.55 +*+ + ++ VdW SG CYS 369 - N ARG 370 3.25 9 0.20 0.62 +++++ +* ++ VdW SG CYS 369 - H ARG 370 2.75 6 0.13 0.56 +* + + + + VdW O CYS 369 - CD1 TRP 372 2.90 12 0.28 0.73 + + +++++++ * ++ VdW C ARG 370 - H TRP 372 2.45 8 0.15 0.42 ++ + + ++*+ VdW CE2 TRP 372 - HG LEU 373 2.60 6 0.14 0.63 + +* + ++ VdW CD1 LEU 373 - HA LEU 384 2.60 7 0.13 0.48 + ++ + *++ VdW HA ARG 374 - CD PRO 375 2.60 6 0.11 0.31 ++ *++ + VdW CB ARG 374 - CD PRO 375 3.20 6 0.18 0.83 ++ +++ * VdW CB ARG 378 - H SER 379 2.55 10 0.20 0.40 ++ ++ ++ ++*+ VdW O GLU 381 - HB3 GLU 385 2.30 6 0.12 0.60 + + + ++ * VdW O GLU 381 - CG GLU 385 2.90 6 0.12 0.48 + + + ++ * VdW CB MET 383 - CE MET 383 3.00 6 0.09 0.24 * + + + + + VdW C MET 383 - N GLU 385 2.95 6 0.12 0.49 ++ ++* + VdW C MET 383 - H GLU 385 2.45 6 0.13 0.61 ++ ++* + VdW O MET 383 - N GLU 385 2.75 6 0.18 1.15 ++ ++* + VdW O MET 383 - CD2 LEU 386 2.90 10 0.25 0.95 + + *+++ ++ ++ VdW H LEU 384 - CG LEU 384 2.55 7 0.12 0.34 *+ ++ + + + VdW H LEU 384 - CD2 LEU 384 2.55 6 0.12 0.50 ++ ++* + VdW HA LEU 384 - CD2 LEU 387 2.60 9 0.22 0.77 + + + ++* +++ VdW C LEU 384 - N LEU 386 2.95 12 0.21 0.43 ++ + ++++ + + *++ VdW C LEU 384 - H LEU 386 2.45 12 0.30 0.62 ++ + ++++ + + *++ VdW O LEU 384 - N LEU 386 2.75 9 0.21 0.61 ++ + + + + + *+ VdW O LEU 384 - CG2 VAL 388 2.90 6 0.13 0.50 + + +*+ + VdW N LEU 386 - CD2 LEU 386 3.05 7 0.15 0.58 +++ * + ++ VdW H LEU 386 - CD2 LEU 386 2.55 8 0.22 0.64 +++ + *+ ++ VdW H LEU 386 - HD22 LEU 386 1.95 6 0.12 0.47 + + *+ ++ VdW N LEU 387 - CD1 LEU 387 3.05 7 0.12 0.38 + ++*+ ++ VdW H LEU 387 - CD2 LEU 387 2.55 7 0.16 0.50 ++ *+ + ++ VdW CD2 LEU 387 - N VAL 388 3.05 6 0.14 0.66 + * ++ + + VdW CD2 LEU 387 - H VAL 388 2.55 7 0.16 0.76 * + ++ ++ + VdW HD23 LEU 387 - H VAL 388 1.95 7 0.13 0.46 + +* + +++ VdW CG1 VAL 388 - HG3 PRO 412 2.60 6 0.13 0.55 + +*+ ++ VdW O VAL 388 - N GLN 391 2.75 8 0.17 0.57 + + +++ + *+ VdW HA LEU 393 - CD2 LEU 396 2.60 6 0.11 0.49 +++* ++ VdW CB LEU 396 - CD PRO 397 3.20 10 0.27 0.98 * ++++ + ++ ++ VdW CB LEU 396 - HD2 PRO 397 2.60 11 0.32 0.88 * +++++ + ++ ++ VdW HB2 LEU 396 - CD PRO 397 2.60 8 0.18 0.89 ++ + + ++ +* VdW HB2 LEU 396 - HD2 PRO 397 2.00 8 0.26 0.98 ++ + + *+ ++ VdW CD1 LEU 396 - CD PRO 397 3.20 8 0.15 0.46 ++ + ++ *++ VdW CD1 LEU 396 - HD2 PRO 397 2.60 11 0.31 0.64 + ++ ++ ++ +*++ VdW CD1 LEU 396 - CG1 ILE 400 3.20 7 0.19 0.64 *+ ++ + ++ VdW O LEU 396 - NE2 GLN 401 2.75 9 0.16 0.46 ++ * ++ + + ++ VdW HA PRO 397 - CD PRO 398 2.60 13 0.20 0.28 + ++ + ++++* ++++ VdW CG PRO 397 - CG2 ILE 400 3.20 9 0.17 0.38 ++ + +++*+ + VdW HG2 PRO 397 - CG2 ILE 400 2.60 14 0.30 0.61 ++ ++++++*++++ + VdW HG2 PRO 397 - CG1 ILE 400 2.60 15 0.31 0.50 + +++++++ +++++*+ VdW HG2 PRO 397 - HG12 ILE 400 2.00 8 0.17 0.52 + + ++ +++* VdW C PRO 397 - HG3 GLN 401 2.50 7 0.15 0.70 + ++ ++ + * VdW O PRO 397 - N GLN 401 2.75 11 0.20 0.45 ++ +++ +* + +++ VdW O PRO 397 - H GLN 401 1.80 7 0.12 0.32 + ++ * + ++ VdW O PRO 397 - CB GLN 401 2.90 9 0.22 0.52 *+ + + ++ + ++ VdW O PRO 397 - HB2 GLN 401 2.30 7 0.14 0.64 ++ + +* + + VdW O PRO 397 - CG GLN 401 2.90 10 0.37 1.04 + + ++ ++ * + ++ VdW O PRO 397 - HG3 GLN 401 2.30 9 0.41 1.40 + + ++ ++ + + * VdW HA PRO 398 - CG GLN 401 2.60 6 0.13 0.63 +++ * ++ VdW N ILE 400 - CG2 ILE 400 2.85 10 0.18 0.25 *+ ++ + ++ +++ VdW CG1 ILE 400 - C ILE 400 2.90 17 0.25 0.33 *++ +++ ++++++++ +++ VdW CG1 ILE 400 - N GLN 401 3.05 14 0.26 0.55 + ++++++ * +++ +++ VdW HG13 ILE 400 - C ILE 400 2.50 8 0.12 0.53 + + * ++ +++ VdW HG13 ILE 400 - N GLN 401 2.45 9 0.18 0.87 + ++++++ * + VdW CD1 ILE 400 - C ILE 400 3.10 9 0.21 0.66 ++ +++ +* + + VdW O ILE 400 - N ARG 403 2.75 9 0.18 0.51 + * +++ ++++ VdW NE2 GLN 401 - N ALA 402 2.90 7 0.14 0.55 + * + ++ + + VdW C GLN 405 - H GLN 407 2.45 6 0.13 0.34 ++* + + + VdW CB GLN 407 - CD PRO 409 3.20 8 0.17 0.56 ++ *++ + + + VdW CB GLN 407 - HD3 PRO 409 2.60 9 0.19 0.66 + +* +++ + + + VdW HB3 GLN 407 - CD PRO 409 2.60 6 0.16 0.75 + ++* ++ VdW HB3 GLN 407 - HD3 PRO 409 2.00 6 0.15 0.61 + ++ + + * VdW C GLN 407 - CD PRO 409 3.10 9 0.18 0.44 ++ + * + ++++ VdW C GLN 407 - HD3 PRO 409 2.50 8 0.17 0.57 ++ +++ + + * VdW O GLN 407 - CB ARG 408 2.90 7 0.17 0.60 ++ + ++ *+ VdW N ARG 408 - CD PRO 409 3.05 16 0.49 0.80 ++++++ *++++ ++ +++ VdW N ARG 408 - HD2 PRO 409 2.45 10 0.26 0.68 +++ +++*+ ++ VdW N ARG 408 - HD3 PRO 409 2.45 9 0.16 0.35 + +* +++ + + + VdW H ARG 408 - CD PRO 409 2.55 7 0.15 0.63 +*++ + ++ VdW H ARG 408 - HD2 PRO 409 1.95 7 0.17 0.73 +++ + +* + VdW C PRO 409 - N SER 411 2.95 13 0.24 0.45 + ++ ++++ +++ ++ * VdW C PRO 409 - H SER 411 2.45 15 0.41 0.68 + + ++ ++++ ++++++ * VdW O PRO 409 - N SER 411 2.75 14 0.32 0.69 + ++ ++++ +++ +++* VdW O PRO 409 - HB2 GLU 414 2.30 6 0.13 0.54 + + * + ++ VdW O PRO 409 - N ALA 415 2.75 7 0.15 0.56 +* + ++ + + VdW O GLY 410 - CD PRO 412 2.90 7 0.15 0.60 + + + + + *+ VdW O GLY 410 - HD2 PRO 412 2.30 7 0.16 0.62 + + + * + ++ VdW CA SER 411 - CB ALA 415 3.20 6 0.12 0.40 ++ + + + * VdW HA SER 411 - CB ALA 415 2.60 8 0.21 0.77 ++ * +++ + + VdW CB SER 411 - CD PRO 412 3.20 12 0.41 0.93 *+ +++++ + ++++ VdW CB SER 411 - HD2 PRO 412 2.60 8 0.22 0.75 ++ + + * ++ + VdW CB SER 411 - HD3 PRO 412 2.60 9 0.21 0.55 *+ + +++ + ++ VdW HB3 SER 411 - CD PRO 412 2.60 9 0.25 0.98 + +++*+ + + + VdW HB3 SER 411 - HD2 PRO 412 2.00 6 0.19 0.95 * + + + + + VdW OG SER 411 - CD PRO 412 2.90 7 0.17 0.68 ++ + ++ +* VdW OG SER 411 - HD3 PRO 412 2.30 6 0.18 0.86 + + ++ +* VdW N GLU 414 - HG2 GLU 414 2.45 7 0.13 0.36 * + + + + ++ VdW HA ALA 415 - CG LEU 418 2.60 14 0.26 0.48 + +*+++ ++++++++ VdW HA ALA 415 - HG LEU 418 2.00 8 0.16 0.60 + ++*+ + + + VdW HA ALA 415 - CD1 LEU 418 2.60 7 0.13 0.46 + +++ + * + VdW O ALA 415 - HG LEU 418 2.30 9 0.20 0.59 + +++ +++ + * VdW H LEU 418 - CG LEU 418 2.55 9 0.14 0.34 + ++ *++ +++ VdW CD1 LEU 418 - C LEU 418 3.10 8 0.14 0.48 ++ *+ + + + + VdW CG2 VAL 419 - H ASP 420 2.55 6 0.11 0.37 * + +++ + Angle PSI PRO 40 -35.00 -19.00 9 6.16 25.53 ++ + * ++ +++ Angle PHI GLU 41 -75.00 -55.00 11 8.31 30.58 ++ + + * ++ ++++ Angle PHI ALA 42 -75.00 -55.00 9 9.54 65.14 + + ++ * ++ ++ Angle PHI ALA 43 -78.00 -58.00 6 4.08 28.00 + + + * + + Angle PSI ALA 43 -49.00 -29.00 6 3.71 9.79 * ++ + + + Angle PHI ARG 44 -71.00 -51.00 6 3.44 18.22 + ++ * + + Angle PSI ARG 44 -54.00 -34.00 7 5.25 26.91 + + *+ ++ + Angle PHI LEU 45 -72.00 -52.00 12 10.63 40.67 + ++ + +++++ + +* Angle PSI ARG 46 -48.00 -28.00 7 6.68 38.97 + ++ * ++ + Angle PHI PHE 47 -74.00 -54.00 8 4.88 18.15 + + ++ + +*+ Angle PSI PHE 47 -49.00 -29.00 10 7.32 24.38 ++ ++ *++ ++ + Angle PHI ARG 48 -91.00 -61.00 8 9.75 59.24 + + * +++ ++ Angle PSI ARG 48 -34.00 -4.00 8 14.01 70.08 + + + + *+ ++ Angle PSI CYS 49 -51.00 -5.00 8 5.16 19.12 + +++ +*+ + Angle PSI PHE 50 120.00 140.00 14 9.97 24.34 + +* ++++++++ + + + Angle PHI HIS 51 -128.00 -90.00 13 7.43 20.25 ++ ++++ ++*+ + + + Angle PSI HIS 51 99.00 143.00 7 3.81 12.26 * ++ ++ + + Angle PHI TYR 52 -106.00 -68.00 10 5.50 14.83 *+ + +++ +++ + Angle PSI TYR 52 120.00 140.00 17 10.99 22.87 +++ +++*+++++ +++++ Angle PHI GLU 54 -70.00 -50.00 7 4.98 17.83 + + + +* + + Angle PHI THR 56 -112.00 -82.00 9 5.95 20.10 + ++ + ++ +* + Angle PSI PRO 58 -41.00 -31.00 9 7.07 47.55 + + + +*++ + + Angle PHI GLN 59 -77.00 -57.00 12 7.69 30.93 + +++ + ++*+++ + Angle PSI GLN 59 -46.00 -26.00 13 8.57 19.35 +++ ++++ + ++*+ + Angle PHI GLU 60 -75.00 -55.00 7 7.65 59.47 ++ ++ * + + Angle PHI ALA 61 -72.00 -52.00 6 4.80 50.97 + +++ * + Angle PSI ALA 61 -53.00 -33.00 6 5.81 55.58 ++ + * + + Angle PHI LEU 62 -71.00 -51.00 8 5.90 30.21 * ++ ++ + + + Angle PSI LEU 62 -53.00 -33.00 6 2.71 11.66 + + + +* + Angle PHI ALA 63 -76.00 -56.00 6 3.68 22.50 + * + +++ Angle PSI ALA 63 -48.00 -28.00 8 4.27 16.79 ++ + + + + +* Angle PHI GLN 64 -78.00 -58.00 7 5.12 22.86 * +++ + + + Angle PHI LEU 65 -71.00 -51.00 8 6.62 25.84 + * + + + +++ Angle PSI LEU 65 -52.00 -32.00 9 4.74 12.98 + + *+ + +++ + Angle PHI ARG 66 -76.00 -56.00 12 7.67 23.50 +++ ++ ++ *+++ + Angle PSI ARG 66 -50.00 -30.00 8 5.97 18.62 +* ++ + +++ Angle PHI GLU 67 -79.00 -59.00 11 7.12 21.00 +* +++++++ + + Angle PSI GLU 67 -50.00 -30.00 14 8.10 19.92 ++ ++++ ++++++ *+ Angle PHI LEU 68 -74.00 -54.00 9 7.60 37.03 + + *+ + ++++ Angle PSI LEU 68 -52.00 -32.00 7 8.53 74.56 + ++ + *++ Angle PHI CYS 69 -76.00 -56.00 10 5.78 21.67 ++ ++ +++ * ++ Angle PSI CYS 69 -50.00 -30.00 12 9.74 32.55 + + + *++ ++ ++++ Angle PHI ARG 70 -73.00 -53.00 8 7.94 80.01 + + ++ + + *+ Angle PSI ARG 70 -51.00 -31.00 11 9.73 84.79 + + ++++ ++++* Angle PSI GLN 71 -47.00 -17.00 17 15.01 87.06 ++ ++ ++++++++++ *++ Angle PHI GLU 76 -78.00 -58.00 15 17.35 59.15 + + ++++++ +++* +++ Angle PSI GLU 76 -40.00 -6.00 9 8.18 36.89 ++*+ + +++ + Angle PHI VAL 77 -118.00 -86.00 8 11.12 38.56 +*+ + +++ + Angle PSI VAL 77 -29.00 -5.00 11 9.04 33.00 *+ ++ ++++ ++ + Angle PHI SER 79 -113.00 -71.00 13 9.78 22.43 ++++ +++++++ * + Angle PSI SER 79 155.00 175.00 15 28.35 92.17 + +*++++ +++ +++++ Angle PHI LYS 80 -69.00 -49.00 11 12.85 47.57 + ++++ *+ + +++ Angle PSI LYS 80 -48.00 -28.00 7 6.07 37.32 + * + ++ + + Angle PHI GLU 81 -73.00 -53.00 16 23.05 64.16 ++ + ++ ++++++++*++ Angle PSI GLU 81 -50.00 -30.00 11 8.66 29.55 +*++ ++++++ + Angle PHI GLN 82 -76.00 -56.00 16 18.86 73.78 +++++ ++++++ + *+ ++ Angle PSI GLN 82 -48.00 -28.00 12 9.72 36.70 +++ +++ ++++ + * Angle PHI MET 83 -75.00 -55.00 15 15.25 74.89 + ++ +++++ ++ *++++ Angle PSI MET 83 -52.00 -32.00 12 19.32 87.20 + *++++ ++ +++ + Angle PHI LEU 84 -73.00 -53.00 16 15.99 51.88 ++ ++*+++++ ++++++ Angle PSI LEU 84 -52.00 -32.00 11 8.23 27.08 ++ ++ ++ +*+ ++ Angle PHI GLU 85 -75.00 -55.00 7 4.46 23.58 + + + + + *+ Angle PSI GLU 85 -54.00 -34.00 19 19.32 30.83 ++++++ +++*+++++++++ Angle PHI LEU 86 -74.00 -54.00 17 13.12 32.02 +++ +++ ++++*++++++ Angle PSI LEU 86 -51.00 -31.00 9 5.55 20.42 * + + ++ +++ + Angle PHI LEU 87 -77.00 -57.00 17 31.40 68.95 ++ ++++++++++++++ * Angle PSI LEU 87 -51.00 -31.00 12 10.25 35.19 ++ +++ + +++*++ Angle PHI VAL 88 -78.00 -58.00 8 6.01 37.44 ++ + + + ++ * Angle PSI VAL 88 -55.00 -35.00 13 11.86 27.90 ++++*+++++ ++ + Angle PHI LEU 89 -70.00 -50.00 11 9.73 77.77 +* + ++ ++ +++ + Angle PSI LEU 89 -57.00 -37.00 15 8.66 16.52 ++ +++ +*++++ +++ + Angle PHI GLU 90 -73.00 -53.00 13 10.09 27.88 + ++ +++ +++ *+++ Angle PHI GLN 91 -74.00 -54.00 19 14.63 34.44 ++*++++++++++++++ ++ Angle PSI GLN 91 -46.00 -26.00 10 8.72 65.80 +*+ ++ + + + + + Angle PHI PHE 92 -74.00 -54.00 9 4.87 14.77 ++++ ++ +* + Angle PSI PHE 92 -55.00 -35.00 8 5.64 21.51 ++ * + + + + + Angle PHI GLY 94 -80.00 -56.00 9 9.67 35.92 * + + ++++++ Angle PSI PRO 98 -46.00 -28.00 15 16.31 41.45 ++ ++++ +++ ++*+++ Angle PHI GLU 99 -76.00 -56.00 15 17.63 44.34 ++++ ++ + ++ ++*+++ Angle PSI GLU 99 -47.00 -27.00 6 4.52 28.25 *+ + + + + Angle PHI ILE 100 -73.00 -53.00 20 37.45 47.38 ++*+++++++++++++++++ Angle PHI GLN 101 -71.00 -51.00 14 9.50 27.04 + + +++*++ ++++ ++ Angle PHI ALA 102 -72.00 -52.00 6 4.65 16.93 + + + + +* Angle PHI ARG 103 -73.00 -53.00 18 12.87 28.17 +* +++++ +++++++++++ Angle PSI VAL 104 -54.00 -34.00 6 4.49 30.59 * + + +++ Angle PSI GLN 105 -52.00 -30.00 9 6.93 38.72 *+ + ++ + +++ Angle PSI GLY 106 -40.00 -6.00 14 16.68 57.97 +++* + ++ +++++++ Angle PHI GLY 110 58.00 92.00 14 13.79 51.78 +++++ *++++ + + ++ Angle PSI PRO 112 -44.00 -28.00 12 15.71 41.33 ++ + + + ++++*++ Angle PHI GLU 113 -75.00 -55.00 14 19.20 49.23 + ++ ++++* ++++++ Angle PSI GLU 113 -51.00 -31.00 11 8.35 29.49 + + + *+ + ++ ++ + Angle PHI GLU 114 -74.00 -54.00 12 15.21 40.01 + + ++ * + ++++ ++ Angle PHI ALA 115 -76.00 -56.00 9 5.00 16.84 +*++ + + + + + Angle PHI ALA 116 -73.00 -53.00 7 5.57 20.46 +* + + ++ + Angle PSI ALA 116 -50.00 -30.00 6 4.03 20.01 * + + ++ + Angle PHI ALA 117 -74.00 -54.00 12 7.97 27.93 + + +* + + ++++ ++ Angle PSI ALA 117 -50.00 -30.00 7 3.62 15.07 + + *+ + ++ Angle PHI VAL 119 -74.00 -54.00 16 7.10 14.99 ++ * +++++++ +++++ + Angle PHI ASP 120 -69.00 -49.00 17 11.20 19.80 +++ ++ +++++++ +++*+ Angle PSI ASP 120 -52.00 -32.00 20 13.58 19.70 +++++++++*++++++++++ Angle PHI GLY 121 -84.00 -58.00 6 3.08 16.13 + * + +++ Angle PHI LEU 122 -91.00 -55.00 6 3.17 11.36 ++ ++ * + Angle PHI GLU 341 -75.00 -55.00 8 6.07 29.08 + ++ + +++* Angle PHI ALA 342 -75.00 -55.00 7 8.66 63.89 ++ + + *+ + Angle PHI ALA 343 -78.00 -58.00 8 7.74 62.44 ++++ + +* + Angle PSI ALA 343 -49.00 -29.00 10 5.38 25.54 ++ + +++ +* ++ Angle PSI ARG 344 -54.00 -34.00 10 6.18 20.10 + + ++ ++ + *++ Angle PHI LEU 345 -72.00 -52.00 13 8.08 17.65 *+++ +++ ++ ++ + + Angle PSI PHE 347 -49.00 -29.00 17 12.79 28.88 ++++ +++ +*+ +++++++ Angle PHI ARG 348 -91.00 -61.00 7 3.31 11.00 + + +++ +* Angle PSI CYS 349 -51.00 -5.00 11 6.34 17.88 + ++ ++ ++ +*++ Angle PSI PHE 350 120.00 140.00 14 9.38 20.96 + ++ +++ ++ + *++++ Angle PHI HIS 351 -128.00 -90.00 8 3.81 15.62 +++ + ++ *+ Angle PSI HIS 351 99.00 143.00 10 4.77 12.09 +++ +* ++ + + + Angle PSI TYR 352 120.00 140.00 16 10.09 18.14 +++ +++++ +++++* ++ Angle PHI GLU 354 -70.00 -50.00 6 4.17 15.70 + +++ + * Angle PHI ALA 355 -80.00 -58.00 10 6.69 16.23 +++ * + + +++ + Angle PHI THR 356 -112.00 -82.00 15 11.73 26.81 +++++++ ++ +++ + + * Angle PSI PRO 358 -41.00 -31.00 8 4.75 14.71 + + * + + + ++ Angle PHI GLN 359 -77.00 -57.00 10 7.58 28.60 + ++++++ + * + Angle PSI GLN 359 -46.00 -26.00 15 15.14 42.13 + +++++ +++ ++++ +* Angle PHI GLU 360 -75.00 -55.00 6 4.85 19.52 + + +* + + Angle PHI LEU 362 -71.00 -51.00 7 4.78 19.44 ++ ++ + + * Angle PSI LEU 362 -53.00 -33.00 6 4.44 26.21 + + + +* + Angle PSI ALA 363 -48.00 -28.00 6 4.07 22.07 + ++ *++ Angle PSI GLN 364 -51.00 -31.00 6 4.26 18.08 ++ + + + * Angle PHI LEU 365 -71.00 -51.00 8 6.32 26.03 * + +++ + ++ Angle PSI LEU 365 -52.00 -32.00 7 4.88 21.37 *+++ + ++ Angle PHI ARG 366 -76.00 -56.00 12 6.53 19.68 +++++++ + +++ * Angle PSI ARG 366 -50.00 -30.00 13 7.51 23.82 ++++++ + + *++++ Angle PHI GLU 367 -79.00 -59.00 6 4.98 21.83 * ++ +++ Angle PSI GLU 367 -50.00 -30.00 9 6.98 24.37 * + + + + ++ ++ Angle PHI LEU 368 -74.00 -54.00 6 5.53 32.57 +++ + * + Angle PSI LEU 368 -52.00 -32.00 9 7.10 27.88 ++ + +++ +*+ Angle PHI CYS 369 -76.00 -56.00 6 5.55 29.64 +++ ++* Angle PSI CYS 369 -50.00 -30.00 11 9.32 37.11 + ++++ +* + +++ Angle PSI ARG 370 -51.00 -31.00 7 6.45 31.66 + + + + +*+ Angle PSI GLN 371 -47.00 -17.00 13 9.53 23.36 +++ ++ ++ +++ * ++ Angle PHI GLU 376 -78.00 -58.00 13 14.93 70.37 + + ++++++ ++ ++* Angle PSI GLU 376 -40.00 -6.00 8 10.02 49.61 + + + + +++* Angle PHI VAL 377 -118.00 -86.00 9 11.94 52.46 + ++ +*+ +++ Angle PSI VAL 377 -29.00 -5.00 14 7.91 20.07 ++ ++*++ ++++ +++ Angle PHI SER 379 -113.00 -71.00 13 10.98 28.92 ++ +++*+ +++ +++ Angle PSI SER 379 155.00 175.00 12 14.93 61.63 +++ ++ *++ + ++ + Angle PHI LYS 380 -69.00 -49.00 16 17.65 72.24 + ++++* +++ +++++ ++ Angle PSI LYS 380 -48.00 -28.00 7 6.15 33.00 + + * + +++ Angle PHI GLU 381 -73.00 -53.00 18 20.38 49.20 +++++ ++++ +++*+++++ Angle PSI GLU 381 -50.00 -30.00 10 12.84 79.79 + +++ ++* +++ Angle PHI GLN 382 -76.00 -56.00 11 16.75 55.16 ++ +++ *+++ + + Angle PSI GLN 382 -48.00 -28.00 11 9.36 35.06 + +++ ++* + +++ Angle PHI MET 383 -75.00 -55.00 16 21.45 135.75 ++++++++ + ++++ *++ Angle PSI MET 383 -52.00 -32.00 14 15.75 35.87 ++ +++++ +++++ *+ Angle PHI LEU 384 -73.00 -53.00 13 14.67 51.13 + + +++++ +* ++++ Angle PSI LEU 384 -52.00 -32.00 13 13.74 73.92 ++ ++ +++ ++ +*++ Angle PHI GLU 385 -75.00 -55.00 12 8.12 43.49 + ++ + ++ ++*+++ Angle PSI GLU 385 -54.00 -34.00 17 20.95 37.82 +* ++++++++++++ +++ Angle PHI LEU 386 -74.00 -54.00 16 15.11 37.68 ++++++++ +*+ +++++ Angle PSI LEU 386 -51.00 -31.00 7 3.74 18.50 + + + ++* + Angle PHI LEU 387 -77.00 -57.00 17 24.98 49.01 ++ +++++++++*++ +++ Angle PSI LEU 387 -51.00 -31.00 7 6.90 34.58 + * ++++ + Angle PSI VAL 388 -55.00 -35.00 9 7.31 25.16 + * + ++ + + ++ Angle PHI LEU 389 -70.00 -50.00 8 6.88 30.93 + * + ++ + ++ Angle PSI LEU 389 -57.00 -37.00 15 9.84 19.22 + + *+ +++++++ ++++ Angle PHI GLU 390 -73.00 -53.00 16 17.42 98.37 ++*+++ ++++++++ + + Angle PSI GLU 390 -52.00 -32.00 6 9.87 127.59 ++*+ + + Angle PHI GLN 391 -74.00 -54.00 11 7.59 21.87 ++ + ++*+++ + + Angle PSI GLN 391 -46.00 -26.00 12 7.32 21.06 ++ ++ ++ + ++ ++ * Angle PHI PHE 392 -74.00 -54.00 13 7.38 20.44 *+ ++ + +++++++ + Angle PSI PHE 392 -55.00 -35.00 6 4.26 21.50 +*++ + + Angle PHI LEU 393 -72.00 -52.00 6 2.99 11.33 * +++ + + Angle PHI GLY 394 -80.00 -56.00 8 8.57 25.76 ++*+++ + + Angle PSI PRO 398 -46.00 -28.00 16 15.98 45.92 +++++ ++*++++ +++ + Angle PHI GLU 399 -76.00 -56.00 13 13.85 49.77 ++ ++ ++*++++ + + Angle PSI GLU 399 -47.00 -27.00 6 3.91 29.55 * + + + + + Angle PHI ILE 400 -73.00 -53.00 20 36.35 50.47 ++++++++++++++++*+++ Angle PHI GLN 401 -71.00 -51.00 14 9.09 27.46 + ++* +++ + ++++++ Angle PSI GLN 401 -51.00 -31.00 6 3.71 24.41 ++ * ++ + Angle PHI ALA 402 -72.00 -52.00 9 5.08 28.42 ++ + ++ *+ + + Angle PHI ARG 403 -73.00 -53.00 15 10.84 25.10 +++++ +++++*++ ++ Angle PHI VAL 404 -77.00 -57.00 7 4.59 17.37 + + + *+ + + Angle PSI VAL 404 -54.00 -34.00 7 5.35 19.92 + + +* + + + Angle PSI GLN 405 -52.00 -30.00 8 5.55 25.53 + + + ++* + + Angle PHI GLY 406 -79.00 -59.00 6 3.56 16.54 + + +* + + Angle PSI GLY 406 -40.00 -6.00 13 11.93 38.56 + +++++*+++ +++ Angle PHI GLY 410 58.00 92.00 10 8.08 22.95 + + + +++ + * ++ Angle PSI GLY 410 -10.00 46.00 6 7.90 82.40 +++ * ++ Angle PSI PRO 412 -44.00 -28.00 18 20.73 40.31 ++++++++ +*++++ ++++ Angle PHI GLU 413 -75.00 -55.00 13 24.01 67.30 + ++++ * +++ + + ++ Angle PHI GLU 414 -74.00 -54.00 15 16.08 39.22 + + ++++ +*++++ + ++ Angle PSI GLU 414 -54.00 -34.00 6 2.89 17.70 + +* + + + Angle PHI ALA 415 -76.00 -56.00 11 5.74 14.42 + +++ *+++ ++ + Angle PHI ALA 416 -73.00 -53.00 9 6.89 38.97 + + + + * + + ++ Angle PSI ALA 416 -50.00 -30.00 6 5.62 35.44 * + ++ + + Angle PHI ALA 417 -74.00 -54.00 15 15.05 57.38 *+ ++ ++++ + ++++++ Angle PHI VAL 419 -74.00 -54.00 15 8.08 24.19 +*++ ++++++++ +++ Angle PHI ASP 420 -69.00 -49.00 10 5.38 17.71 + ++++ + + + * + Angle PSI ASP 420 -52.00 -32.00 19 12.49 18.72 +*++++++++++ +++++++ Angle PHI LEU 422 -91.00 -55.00 8 4.28 11.96 + +++ +++ * 50 violated distance constraints. 198 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 3.07 +/- 1.63 A (1.63..7.77 A) Average heavy atom RMSD to mean : 3.69 +/- 1.55 A (2.20..7.95 A)