Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 18.99 57 0.0229 1.31 22 30.5 0.36 22 3.1852 17.95 2 19.00 66 0.0201 0.98 23 30.9 0.36 20 3.1908 16.71 3 19.25 70 0.0253 1.22 19 28.8 0.35 20 3.0271 16.82 4 19.48 81 0.0238 0.99 23 31.8 0.35 14 3.1610 18.06 5 20.83 79 0.0257 1.09 21 32.6 0.34 24 3.3674 17.63 6 22.81 76 0.0283 1.23 20 32.2 0.35 22 3.1535 16.70 7 22.85 83 0.0284 1.16 23 31.2 0.39 18 3.1174 17.07 8 24.48 77 0.0290 1.28 23 34.2 0.35 25 3.5530 17.10 9 24.63 81 0.0303 1.30 22 33.2 0.35 26 3.3769 16.74 10 24.74 88 0.0312 1.18 23 31.6 0.35 23 3.2789 17.01 11 25.25 84 0.0303 1.24 25 31.9 0.35 22 3.3647 16.71 12 25.75 94 0.0306 1.27 23 33.2 0.35 28 3.3256 16.30 13 25.88 89 0.0304 1.28 27 34.9 0.36 28 3.4019 17.44 14 26.35 115 0.0323 1.06 24 35.3 0.37 26 3.2488 17.38 15 26.45 100 0.0339 1.10 21 32.3 0.45 19 3.1886 20.68 16 26.57 101 0.0335 1.22 22 31.4 0.36 23 3.2467 16.77 17 26.78 92 0.0334 1.32 21 33.0 0.35 23 3.2547 17.10 18 26.90 104 0.0313 1.08 29 36.8 0.39 22 3.3482 16.84 19 27.22 110 0.0349 1.35 22 32.6 0.45 24 3.3382 18.04 20 28.71 108 0.0341 1.28 29 35.1 0.40 23 3.2871 17.02 Ave 24.15 88 0.0295 1.20 23 32.7 0.37 23 3.2708 17.30 +/- 3.01 15 0.0040 0.11 3 1.8 0.03 3 0.1163 0.91 Min 18.99 57 0.0201 0.98 19 28.8 0.34 14 3.0271 16.30 Max 28.71 115 0.0349 1.35 29 36.8 0.45 28 3.5530 20.68 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H LEU 45 - HG LEU 45 3.23 9 0.12 0.36 + + ++ + + * ++ peak 686 Upper HA PHE 47 - QD1 LEU 68 3.78 9 0.08 0.21 ++++ + + * ++ peak 2486 Upper HB3 PHE 47 - QD1 LEU 68 5.50 12 0.21 0.38 +++*+ +++ ++++ peak 2496 Upper QD PHE 47 - HG LEU 65 4.76 9 0.12 0.38 + ++ +*+ + ++ peak 305 Upper QE PHE 47 - QD2 LEU 62 5.50 6 0.08 0.25 + ++ * + + peak 2310 Upper QE PHE 47 - HG LEU 68 5.50 10 0.16 0.42 ++ ++++ *+ ++ peak 2527 Upper H PHE 50 - QD1 LEU 68 5.50 7 0.07 0.19 + + *++ + + peak 2509 Upper HA PHE 50 - HB2 HIS 51 5.50 7 0.05 0.15 + ++ + ++ * peak 2041 Upper H TYR 52 - HG LEU 96 5.50 7 0.21 0.60 + + + ++ * + peak 793 Upper H ALA 55 - QD ARG 123 5.50 10 0.10 0.17 + +++* ++ + ++ peak 4042 Upper HG2 PRO 58 - QG1 VAL 119 3.18 7 0.10 0.34 +++ + + * + peak 606 Upper HG2 PRO 58 - HB3 ASP 120 3.92 6 0.05 0.22 ++ + + * + peak 1486 Upper HD3 PRO 58 - HE22 GLN 59 5.50 6 0.08 0.22 + +++ * + peak 2162 Upper H GLN 59 - QD1 LEU 62 4.58 10 0.30 0.70 + +++++ ++ +* peak 2305 Upper HE21 GLN 59 - QD1 LEU 62 5.50 6 0.05 0.16 *++ ++ + peak 852 Upper HE22 GLN 59 - HG LEU 62 5.50 7 0.10 0.29 + +*+ + ++ peak 2298 Upper QB ALA 61 - QD1 LEU 62 4.74 9 0.09 0.24 + ++++* ++ + peak 2274 Upper H LEU 62 - QG1 VAL 88 5.50 10 0.10 0.26 + +++ *+++ ++ peak 886 Upper HG LEU 62 - HG3 PRO 112 4.13 11 0.66 1.35 + ++++++ ++ *+ peak 3779 Upper HG LEU 62 - H GLU 113 5.32 10 0.08 0.19 + +++++ +* ++ peak 1270 Upper QD1 LEU 62 - H LEU 65 5.50 10 0.35 0.74 + +++++ *+ ++ peak 2306 Upper QD1 LEU 62 - HG2 PRO 112 5.50 10 0.13 0.31 +++++ ++ +* + peak 3750 Upper QD2 LEU 62 - H ALA 115 5.50 20 0.18 0.25 ++*+++++++++++++++++ peak 2312 Upper H GLN 64 - HG LEU 65 5.50 9 0.18 0.43 + *+ +++ + ++ peak 2392 Upper H GLN 64 - QD2 LEU 65 5.50 11 0.19 0.38 + + ++ +*++ + ++ peak 2407 Upper HB3 LEU 65 - H VAL 88 5.50 9 0.09 0.27 + + ++ *+ + + + peak 1120 Upper QD1 LEU 65 - H LEU 68 5.50 11 0.18 0.45 + + ++ ++++ + +* peak 979 Upper QD2 LEU 65 - H LEU 93 5.50 9 0.12 0.34 + ++ ++* + ++ peak 2407 Upper H GLU 67 - HG LEU 68 5.50 12 0.29 0.50 +++++ +*+ ++++ peak 2527 Upper H LEU 68 - QD2 LEU 68 4.11 6 0.07 0.18 ++ + * ++ peak 980 Upper QD1 LEU 68 - HG2 GLN 71 5.50 8 0.06 0.18 ++ +++ + +* peak 2497 Upper HZ2 TRP 72 - QD1 LEU 86 5.11 8 0.08 0.27 + * + ++ ++ + peak 194 Upper HB3 LEU 73 - HG3 MET 83 5.50 6 0.08 0.17 + * ++ + + peak 1898 Upper H ARG 74 - QG2 VAL 77 5.50 6 0.07 0.25 + * ++ + + peak 1739 Upper H GLU 76 - QG1 VAL 77 5.50 6 0.07 0.24 + + *+ + + peak 2770 Upper HA GLU 76 - QG2 VAL 77 5.12 6 0.04 0.16 + + ++ + * peak 1736 Upper HG2 GLU 76 - QG1 VAL 77 3.10 6 0.28 0.97 + + ++ * + peak 2779 Upper HG3 GLU 76 - QG1 VAL 77 4.59 6 0.07 0.27 + * ++ + + peak 2753 Upper HB VAL 77 - HG3 ARG 78 5.50 6 0.05 0.21 + * ++ + + peak 2792 Upper H ARG 78 - HD2 ARG 78 4.88 7 0.10 0.46 ++ + ++ + * peak 1020 Upper HD2 ARG 78 - H MET 83 5.50 9 0.09 0.22 + ++ + ++ *+ + peak 1067 Upper HD3 ARG 78 - H SER 79 5.13 9 0.06 0.18 ++ + ++ + *++ peak 1030 Upper H GLN 82 - HG2 MET 83 5.50 7 0.09 0.18 + * + ++ + + peak 2982 Upper HA LEU 86 - QD2 LEU 86 2.87 7 0.09 0.29 + + + +* ++ peak 827 Upper HG LEU 86 - HA LEU 87 4.80 7 0.12 0.38 + + + ++ +* peak 347 Upper HG LEU 86 - QD2 LEU 87 3.37 7 0.17 0.86 + + + +* ++ peak 3111 Upper QD2 LEU 86 - HB2 LEU 87 4.41 10 0.09 0.26 ++ + + + +*+ + + peak 3052 Upper H LEU 89 - HG3 PRO 112 5.50 19 0.16 0.24 +++++++*++++ +++++++ peak 3813 Upper QD1 LEU 89 - HD2 PRO 112 5.50 13 0.11 0.22 +++ *+ +++ ++ +++ peak 3775 Upper HA2 GLY 94 - HE22 GLN 101 4.51 7 0.07 0.29 + + + *+ + + peak 3302 Upper HA3 GLY 94 - HE21 GLN 101 3.78 7 0.05 0.19 + + + *+ + + peak 455 Upper H ALA 95 - HG LEU 96 5.50 7 0.29 0.85 + + + +* + + peak 3361 Upper H LEU 96 - HG LEU 96 3.38 7 0.38 1.10 + + + +* + + peak 1185 Upper H LEU 96 - HA GLN 101 5.50 6 0.07 0.13 ++ +* + + peak 3521 Upper QD1 LEU 96 - HG13 ILE 100 5.50 13 0.09 0.17 ++++ +++ + *+ + ++ peak 3470 Upper QD1 LEU 96 - HE22 GLN 101 5.50 8 0.11 0.23 + * ++ ++ + + peak 1209 Upper QD2 LEU 96 - HG2 PRO 97 4.44 7 0.13 0.42 + + + *+ + + peak 1748 Upper QD2 LEU 96 - H ILE 100 5.47 7 0.18 0.53 + + + *+ + + peak 284 Upper QD2 LEU 96 - HG13 ILE 100 5.34 7 0.06 0.22 + + + *+ + + peak 3471 Upper QD2 LEU 96 - HB3 GLN 101 5.50 11 0.26 0.58 + * ++++ ++ + ++ peak 4064 Upper QD2 LEU 96 - H VAL 119 5.50 7 0.07 0.24 + + + ++ * + peak 3351 Upper HA PRO 98 - HE21 GLN 101 4.94 7 0.05 0.21 + + + *+ + + peak 3436 Upper QD1 ILE 100 - QB ARG 123 3.60 6 0.07 0.30 + * + + + + peak 4039 Upper HG3 GLN 101 - H ARG 103 5.50 10 0.11 0.19 + + ++ +++ *++ peak 4102 Upper HB VAL 104 - HE22 GLN 107 5.12 6 0.06 0.43 ++ + + *+ peak 1243 Upper HA GLN 107 - HE21 GLN 107 5.35 8 0.10 0.32 +++ + ++* + peak 508 Upper HA GLN 107 - HE22 GLN 107 5.50 6 0.06 0.24 ++ ++* + peak 504 Upper QB GLN 107 - HD3 PRO 109 4.80 7 0.10 0.35 ++ +++ *+ peak 3616 Upper HB VAL 119 - H GLY 121 5.50 13 0.12 0.23 +++ ++*+ ++ ++ + + peak 1317 Upper HA ASP 120 - HG3 ARG 123 4.60 8 0.08 0.18 + + *+ ++ + + peak 4032 Upper H ARG 123 - HG2 ARG 123 3.79 10 0.09 0.19 + *+ +++ + + ++ peak 1301 Upper H LEU 345 - HG LEU 345 3.23 7 0.10 0.35 + + + ++ + * peak 686 Upper HA PHE 347 - QD1 LEU 368 3.78 8 0.06 0.19 + + + + ++ + * peak 2486 Upper HB3 PHE 347 - QD1 LEU 368 5.50 9 0.16 0.39 + + + * + ++ + + peak 2496 Upper QD PHE 347 - HG LEU 365 4.76 11 0.17 0.42 ++ +*++ ++ + ++ peak 305 Upper QE PHE 347 - QD2 LEU 362 5.50 6 0.06 0.21 + + + * + + peak 2310 Upper QE PHE 347 - HG LEU 368 5.50 11 0.18 0.32 ++ + + * + + + ++ + peak 2527 Upper HA PHE 350 - HB2 HIS 351 5.50 6 0.04 0.15 +*+ + + + peak 2041 Upper QD PHE 350 - HG LEU 365 3.93 7 0.07 0.26 + + +* + + + peak 283 Upper H TYR 352 - HG LEU 396 5.50 7 0.17 0.59 + + ++ + +* peak 793 Upper H ALA 355 - QD ARG 423 5.50 9 0.09 0.23 + + ++ *+++ + peak 4042 Upper H GLY 357 - HG3 GLU 360 5.50 6 0.15 0.53 + + ++* + peak 824 Upper HG2 PRO 358 - QG1 VAL 419 3.18 12 0.20 0.40 ++++ + +* + + +++ peak 606 Upper H GLN 359 - QD1 LEU 362 4.58 6 0.17 0.64 + + ++* + peak 2305 Upper HA GLN 359 - QD2 LEU 362 4.98 8 0.07 0.19 + ++ + + +*+ peak 2195 Upper HE22 GLN 359 - HG LEU 362 5.50 6 0.10 0.28 + ++* + + peak 2298 Upper QB ALA 361 - QD1 LEU 362 4.74 6 0.05 0.23 + + *++ + peak 2274 Upper H LEU 362 - QG1 VAL 388 5.50 7 0.09 0.25 ++ ++ *+ + peak 886 Upper HG LEU 362 - HG3 PRO 412 4.13 6 0.39 1.31 * + +++ + peak 3779 Upper QD1 LEU 362 - H LEU 365 5.50 7 0.21 0.73 + + +++ * + peak 2306 Upper QD1 LEU 362 - HG2 PRO 412 5.50 13 0.16 0.33 + ++ + ++++*++++ peak 3750 Upper QD2 LEU 362 - H ALA 415 5.50 19 0.19 0.34 ++++++*+++++++ +++++ peak 2312 Upper H GLN 364 - HG LEU 365 5.50 11 0.22 0.45 ++ ++*+ ++ + ++ peak 2392 Upper H GLN 364 - QD2 LEU 365 5.50 9 0.16 0.41 ++ +* ++ + ++ peak 2407 Upper HB3 LEU 365 - H VAL 388 5.50 6 0.07 0.26 + ++ *+ + peak 1120 Upper QD1 LEU 365 - H LEU 368 5.50 9 0.15 0.46 ++ ++ ++ + +* peak 979 Upper QD2 LEU 365 - H LEU 393 5.50 11 0.16 0.37 *+ ++++ ++ + ++ peak 2407 Upper H GLU 367 - HG LEU 368 5.50 9 0.21 0.51 + + + + * ++ + + peak 2527 Upper H LEU 368 - QD2 LEU 368 4.11 7 0.05 0.16 * + + ++ + + peak 980 Upper QD1 LEU 368 - HG2 GLN 371 5.50 11 0.08 0.19 +* + + + + + + ++ + peak 2497 Upper HZ2 TRP 372 - QD1 LEU 386 5.11 9 0.11 0.33 +++ * + ++++ peak 194 Upper H ARG 374 - QG2 VAL 377 5.50 8 0.09 0.26 *++ + + ++ + peak 1739 Upper H GLU 376 - QG1 VAL 377 5.50 8 0.09 0.23 ++* + + ++ + peak 2770 Upper HA GLU 376 - QG2 VAL 377 5.12 8 0.06 0.16 +++ + + *+ + peak 1736 Upper HG2 GLU 376 - QG1 VAL 377 3.10 8 0.39 1.03 +++ + * ++ + peak 2779 Upper HG3 GLU 376 - QG1 VAL 377 4.59 8 0.10 0.27 +++ + + *+ + peak 2753 Upper H VAL 377 - HG3 ARG 378 5.50 6 0.05 0.17 + + + + * + peak 2832 Upper HB VAL 377 - HG3 ARG 378 5.50 8 0.07 0.21 +++ + + *+ + peak 2792 Upper H ARG 378 - HD2 ARG 378 4.88 9 0.15 0.42 +++ * ++ + ++ peak 1020 Upper HD2 ARG 378 - H MET 383 5.50 7 0.08 0.17 * ++ + + + + peak 1067 Upper HD3 ARG 378 - H SER 379 5.13 12 0.09 0.18 ++ ++ + + +++ + +* peak 1030 Upper HD3 ARG 378 - HA MET 383 5.50 7 0.08 0.16 + + *+ + + + peak 2812 Upper H GLN 382 - HG2 MET 383 5.50 6 0.08 0.19 ++ + * ++ peak 2982 Upper HA LEU 386 - QD2 LEU 386 2.87 8 0.10 0.27 *++ + + +++ peak 827 Upper HG LEU 386 - HA LEU 387 4.80 8 0.14 0.38 ++* + + +++ peak 347 Upper HG LEU 386 - QD2 LEU 387 3.37 8 0.18 0.46 +++ * + +++ peak 3111 Upper QD2 LEU 386 - HB2 LEU 387 4.41 11 0.09 0.33 ++++ ++++ + + * peak 3052 Upper H LEU 389 - HG3 PRO 412 5.50 18 0.17 0.25 ++ +++ *++++++++++++ peak 3813 Upper HA LEU 389 - QD1 LEU 389 3.86 8 0.05 0.13 *+ ++ + + ++ peak 859 Upper HG LEU 389 - H GLU 390 4.42 6 0.07 0.40 + + + * ++ peak 1145 Upper QD1 LEU 389 - HA GLU 390 4.08 8 0.09 0.28 ++ ++ + + *+ peak 1948 Upper QD1 LEU 389 - HD2 PRO 412 5.50 8 0.06 0.19 + ++ +++ +* peak 3775 Upper HA2 GLY 394 - HE22 GLN 401 4.51 6 0.06 0.27 + +* + ++ peak 3302 Upper HA3 GLY 394 - HE21 GLN 401 3.78 6 0.04 0.16 + +* + ++ peak 455 Upper H ALA 395 - HG LEU 396 5.50 6 0.25 0.83 + ++ + *+ peak 3361 Upper H LEU 396 - HG LEU 396 3.38 6 0.32 1.11 + ++ + +* peak 1185 Upper H LEU 396 - HA GLN 401 5.50 9 0.07 0.13 ++++ ++ +* + peak 3521 Upper H LEU 396 - HG3 GLN 401 5.50 10 0.10 0.13 ++ *++ +++ + + peak 4101 Upper QD1 LEU 396 - HG13 ILE 400 5.50 13 0.09 0.17 +++++++ ++ *+ + + peak 3470 Upper QD1 LEU 396 - HE22 GLN 401 5.50 7 0.09 0.26 + + ++ * ++ peak 1209 Upper QD1 LEU 396 - HA VAL 404 5.50 7 0.07 0.17 + +++ *++ peak 3590 Upper QD2 LEU 396 - HG2 PRO 397 4.44 6 0.10 0.39 + +* + ++ peak 1748 Upper QD2 LEU 396 - H ILE 400 5.47 6 0.15 0.52 * ++ + ++ peak 284 Upper QD2 LEU 396 - HG13 ILE 400 5.34 6 0.05 0.20 + *+ + ++ peak 3471 Upper QD2 LEU 396 - HB3 GLN 401 5.50 12 0.24 0.58 + +++*+ +++ + ++ peak 4064 Upper QD2 LEU 396 - H VAL 419 5.50 6 0.08 0.24 + ++ + *+ peak 3351 Upper HA PRO 398 - HE21 GLN 401 4.94 6 0.05 0.20 + +* + ++ peak 3436 Upper QD1 ILE 400 - QB ARG 423 3.60 6 0.07 0.27 * + + + + + peak 4039 Upper HG3 GLN 401 - H ARG 403 5.50 9 0.11 0.21 + + + +*+ +++ peak 4102 Upper HA GLN 407 - HE21 GLN 407 5.35 7 0.10 0.34 + ++ ++ *+ peak 508 Upper HE21 GLN 407 - HA ALA 415 5.50 6 0.07 0.31 + + + + + * peak 506 Upper HA PRO 409 - H ALA 415 5.26 6 0.06 0.18 + ++ + *+ peak 573 Upper HB VAL 419 - H GLY 421 5.50 8 0.08 0.21 + + * ++ ++ + peak 1317 Upper H ARG 423 - HG2 ARG 423 3.79 10 0.09 0.18 +++ ++++ + *+ peak 1301 Upper HG2 ARG 423 - H ARG 424 4.35 6 0.05 0.31 + + * + + + peak 1338 VdW CD2 LEU 62 - HB2 PRO 112 2.60 10 0.16 0.33 + +*+++ ++ ++ VdW CG GLU 67 - C GLU 67 2.90 7 0.19 0.21 +++ * ++ + VdW CG TRP 72 - C TRP 72 2.90 20 0.25 0.25 +++*++++++++++++++++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.24 0.26 +++++++++++++++++*++ VdW C ARG 74 - H GLU 76 2.45 20 0.30 0.33 +++++++++++++++++*++ VdW O LYS 80 - HB2 LEU 84 2.30 6 0.13 0.25 + * + + + + VdW O LYS 80 - HG LEU 84 2.30 8 0.09 0.25 + ++ + + + *+ VdW CA LEU 84 - CD2 LEU 84 3.00 7 0.09 0.26 + *+ + + + + VdW O LEU 84 - HD22 LEU 87 2.30 9 0.11 0.31 ++ + + +* +++ VdW N LEU 87 - CD1 LEU 87 3.05 19 0.25 0.28 +++++++++++++* +++++ VdW H LEU 87 - CD1 LEU 87 2.55 19 0.33 0.37 +++++++++++++* +++++ VdW H LEU 87 - HD22 LEU 87 1.95 9 0.11 0.26 ++ + + ++ +*+ VdW CG1 VAL 88 - C VAL 88 2.90 15 0.22 0.31 + ++ ++*++ +++++++ VdW O PRO 97 - CB GLN 101 2.90 6 0.17 0.21 + ++ + * + VdW CD2 LEU 362 - HB2 PRO 412 2.60 6 0.10 0.39 + + +*+ + VdW CG GLU 367 - C GLU 367 2.90 6 0.19 0.22 + * ++ + + VdW CG TRP 372 - C TRP 372 2.90 20 0.25 0.25 +++++++++++++++*++++ VdW HA ARG 374 - CD PRO 375 2.60 20 0.23 0.25 ++++++++++++++++*+++ VdW C ARG 374 - H GLU 376 2.45 20 0.30 0.34 +++*++++++++++++++++ VdW O LYS 380 - HB2 LEU 384 2.30 8 0.15 0.29 ++ ++ + * ++ VdW O LEU 384 - HD21 LEU 387 2.30 6 0.07 0.29 + + + +* + VdW O LEU 384 - HD22 LEU 387 2.30 8 0.10 0.28 ++ + + +* ++ VdW N LEU 387 - CD1 LEU 387 3.05 19 0.25 0.28 ++++++++++++*+++++ + VdW H LEU 387 - CD1 LEU 387 2.55 19 0.33 0.36 +++++++++++++*++++ + VdW H LEU 387 - HD21 LEU 387 1.95 6 0.07 0.28 + + + *+ + VdW H LEU 387 - HD22 LEU 387 1.95 8 0.10 0.25 ++ + + ++ +* VdW CG1 VAL 388 - C VAL 388 2.90 16 0.22 0.32 ++ ++ ++++*+ +++++ + Angle PHI GLN 64 -78.00 -58.00 9 4.58 7.11 + +* ++ ++ ++ Angle PHI GLU 67 -79.00 -59.00 6 2.73 6.64 + ++ ++ * Angle PSI SER 79 155.00 175.00 15 6.17 8.75 +++ *+ ++ ++++ + +++ Angle PHI LYS 80 -69.00 -49.00 15 5.31 6.84 ++ +++*+++++ ++++ Angle PSI LYS 80 -48.00 -28.00 6 3.73 10.48 + *+ + + + Angle PSI GLU 81 -50.00 -30.00 6 3.66 8.10 + + + + + * Angle PSI LEU 84 -52.00 -32.00 19 9.24 11.49 ++++++++++++++*++++ Angle PSI GLU 85 -54.00 -34.00 20 10.94 13.22 ++++++++++*+++++++++ Angle PSI LEU 86 -51.00 -31.00 20 15.34 16.56 +++++++++*++++++++++ Angle PHI LEU 87 -77.00 -57.00 20 16.67 20.68 ++++++++++++++*+++++ Angle PSI LEU 87 -51.00 -31.00 19 8.24 12.52 +++++++++*++++ +++++ Angle PHI VAL 88 -78.00 -58.00 12 5.60 13.75 + + ++ ++++*++ + Angle PSI PRO 97 132.20 154.90 20 14.64 17.38 +++++++++++++*++++++ Angle PSI PRO 98 -46.00 -28.00 7 5.24 7.69 + + + ++ * + Angle PHI GLU 99 -76.00 -56.00 16 6.52 9.51 +++ * ++++++++++ ++ Angle PHI ILE 100 -73.00 -53.00 8 5.03 5.96 + + + +*+ + + Angle PHI GLN 364 -78.00 -58.00 6 4.56 6.60 + + + *++ Angle PSI SER 379 155.00 175.00 17 6.47 8.97 +++ +++*+++++++ +++ Angle PHI LYS 380 -69.00 -49.00 13 5.24 6.85 * +++ ++++ +++ ++ Angle PSI LEU 384 -52.00 -32.00 20 9.61 11.83 ++++++++++++++++++*+ Angle PSI GLU 385 -54.00 -34.00 20 10.83 13.04 +++++++*++++++++++++ Angle PSI LEU 386 -51.00 -31.00 20 15.77 17.10 ++++++++++++++++*+++ Angle PHI LEU 387 -77.00 -57.00 20 16.33 18.06 +++*++++++++++++++++ Angle PSI LEU 387 -51.00 -31.00 19 8.35 11.88 ++++++++++*+++++++ + Angle PHI VAL 388 -78.00 -58.00 14 5.81 12.61 ++ + ++++ ++++ ++* Angle PSI PRO 397 132.20 154.90 20 14.26 17.08 ++++++++++++*+++++++ Angle PSI PRO 398 -46.00 -28.00 7 5.10 7.60 + * ++ + ++ Angle PHI GLU 399 -76.00 -56.00 13 6.33 10.01 + + ++ +++ +* ++ ++ Angle PHI ILE 400 -73.00 -53.00 7 4.95 5.80 + +* + +++ 145 violated distance constraints. 29 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.26 +/- 0.04 A (0.18..0.34 A; 20 structures) Average heavy atom RMSD to mean : 0.67 +/- 0.05 A (0.57..0.77 A; 20 structures)