Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 443.43 15 0.0619 2.10 349 196.9 0.69 80 7.1694 39.85 2 493.51 19 0.0635 2.53 393 219.3 0.93 106 8.8355 37.69 3 526.42 26 0.0660 2.76 424 237.3 0.99 90 7.6856 32.81 4 562.22 18 0.0667 2.78 473 265.6 0.95 91 9.4086 59.18 5 581.79 26 0.0687 3.45 449 258.4 0.88 103 9.7816 44.60 6 620.48 32 0.0719 3.39 413 236.5 1.02 9711.5090 68.32 7 637.67 22 0.0682 2.28 517 277.8 1.38 11414.7755 84.98 8 672.40 26 0.0726 3.01 535 293.2 0.97 10511.8796100.75 9 693.52 35 0.0761 4.93 513 279.7 0.86 93 9.3994 40.48 10 695.95 30 0.0758 5.14 537 283.0 1.02 10810.1204 38.73 11 718.20 29 0.0760 4.63 493 271.6 1.06 11112.8325 62.16 12 742.52 22 0.0719 3.40 622 339.7 1.05 11614.7702 77.73 13 744.51 35 0.0769 3.25 585 321.6 1.15 10611.4049 62.29 14 762.39 29 0.0751 5.52 598 319.9 1.13 11714.1325 80.35 15 771.01 37 0.0786 5.39 606 313.9 1.10 10911.6292 61.48 16 773.86 32 0.0782 4.82 565 302.1 0.95 10513.0742 68.31 17 787.60 37 0.0773 2.85 686 354.5 1.00 11412.3859 83.68 18 808.31 37 0.0779 4.82 589 316.4 1.17 10914.5524116.05 19 824.77 43 0.0795 3.77 618 331.8 1.06 10013.9255 88.13 20 845.38 41 0.0814 3.67 620 334.2 0.99 10412.6156 86.38 Ave 685.30 30 0.0732 3.73 529 287.7 1.02 10411.5944 66.70 +/- 112.45 8 0.0055 1.06 88 41.9 0.14 9 2.2790 22.55 Min 443.43 15 0.0619 2.10 349 196.9 0.69 80 7.1694 32.81 Max 845.38 43 0.0814 5.52 686 354.5 1.38 11714.7755116.05 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HG2 GLU 41 - HB ILE 100 3.62 13 2.41 5.14 + ++ +* ++++++++ peak 114 HG2 GLU 41 - HB ILE 400 HB VAL 88 - HB ILE 100 HB VAL 88 - HB ILE 400 QG GLU 99 - HB ILE 400 H GLY 39 - HA PRO 97 HA PRO 97 - H GLY 339 Upper HG2 GLU 41 - HB ILE 100 3.75 12 1.72 3.56 ++ +++ +++ +*++ peak 3944 HG2 GLU 41 - HB ILE 400 HB VAL 88 - HB ILE 100 HB VAL 88 - HB ILE 400 QG GLU 99 - HB ILE 400 HG LEU 96 - HA VAL 119 HG LEU 96 - HA VAL 419 Upper HG2 PRO 58 - H GLN 359 3.51 12 1.58 3.12 ++ + + *+++++++ peak 8114 HG2 PRO 358 - H ALA 416 HG2 PRO 58 - H ALA 416 QE TYR 52 - QD1 ILE 400 Upper HD2 PRO 58 - H GLN 359 4.04 19 2.12 3.25 ++++++++++++*+++ +++ peak 3480 HD2 PRO 358 - H ALA 416 HD2 PRO 58 - H ALA 416 HA ARG 366 - HG13 ILE 400 HG13 ILE 100 - HA ARG 366 HA LYS 380 - HG13 ILE 400 HG13 ILE 100 - HA LYS 380 HG13 ILE 400 - HA VAL 404 HG13 ILE 100 - HA VAL 404 HG13 ILE 400 - HD3 PRO 412 HG13 ILE 100 - HD3 PRO 412 Upper H GLN 59 - HG2 PRO 358 3.51 9 1.38 2.41 + + + ++ + + +* peak 8114 HG2 PRO 58 - H ALA 116 H ALA 116 - HG2 PRO 358 QD1 ILE 100 - QE TYR 352 Upper H GLN 59 - HD2 PRO 358 4.04 15 1.79 2.73 + ++++++++* + ++++ peak 3480 HD2 PRO 58 - H ALA 116 H ALA 116 - HD2 PRO 358 HA ARG 66 - HG13 ILE 100 HA ARG 66 - HG13 ILE 400 HA LYS 80 - HG13 ILE 100 HA LYS 80 - 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 Upper HB2 LEU 62 - H GLN 359 3.87 8 1.54 2.97 ++++ * + + + peak 3906 HB2 LEU 62 - H LEU 389 HB2 LEU 362 - H ALA 416 HB2 LEU 62 - H ALA 416 HB2 LEU 118 - H ALA 342 H ALA 343 - HB2 LEU 418 HB2 LEU 118 - H ALA 343 HE21 GLN 371 - HB2 LEU 418 HB2 LEU 118 - HE21 GLN 371 HB2 LEU 118 - H GLN 382 H GLU 385 - HB2 LEU 418 HB2 LEU 118 - H GLU 385 Upper HB3 LEU 62 - HD3 PRO 112 3.95 7 1.32 2.25 + + ++ *+ + peak 757 HB3 LEU 62 - HD3 PRO 412 HB3 LEU 65 - HD3 PRO 112 HB3 LEU 65 - HD3 PRO 412 H CYS 49 - HD2 PRO 75 HD2 PRO 75 - H CYS 349 H CYS 49 - HA PHE 92 HA PHE 92 - H CYS 349 Upper HE22 GLN 64 - QD1 LEU 68 3.71 7 1.34 2.78 * +++ + + + peak 2672 QD1 LEU 68 - HE22 GLN 364 HE22 GLN 64 - HB3 LEU 73 HB3 LEU 73 - HE22 GLN 364 H CYS 49 - HB3 ARG 74 H CYS 49 - HB3 ARG 374 HB3 ARG 74 - H ARG 108 H ARG 108 - HB3 ARG 374 Upper HB2 LEU 65 - QB ALA 95 3.78 11 1.35 2.00 + +++ + ++++ *+ peak 3625 HB2 LEU 65 - QB ALA 395 HB2 LEU 93 - QB ALA 95 HB2 LEU 93 - QB ALA 395 QB ALA 95 - HB3 GLN 101 HB3 GLN 101 - QB ALA 395 QB ALA 95 - HB3 GLU 125 HB3 GLU 125 - QB ALA 395 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 HB2 TRP 72 - HZ3 TRP 72 4.00 12 1.55 2.13 +++ ++ +++ + ++ * peak 212 HB2 TRP 72 - HZ3 TRP 372 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 6 1.20 2.29 + +* + + + peak 214 HB3 TRP 72 - HZ3 TRP 372 Upper QG1 VAL 77 - QG ARG 108 3.61 7 1.29 3.60 + ++*++ + peak 2042 QG1 VAL 77 - QG ARG 408 QG2 VAL 77 - QG ARG 108 QG2 VAL 77 - QG ARG 408 HB3 HIS 51 - QG GLU 54 QG GLU 54 - HB3 HIS 351 HB3 HIS 51 - HB2 GLN 64 HB2 GLN 64 - HB3 HIS 351 Upper HA MET 83 - QD1 LEU 84 3.11 10 1.47 2.16 + + ++++++*+ peak 8316 HA MET 83 - QD1 LEU 384 Upper QD PHE 92 - HG2 PRO 97 4.82 8 1.36 2.00 + +++ + * + + peak 3431 QD PHE 92 - HG2 PRO 397 H LEU 96 - HG2 PRO 97 H LEU 96 - HG2 PRO 397 Upper HG2 GLU 341 - HB ILE 400 3.62 13 2.63 5.52 ++ ++++ +*++ +++ peak 114 HB ILE 100 - HG2 GLU 341 HB VAL 388 - HB ILE 400 HB ILE 100 - HB VAL 388 HB ILE 100 - QG GLU 399 H GLY 339 - HA PRO 397 H GLY 39 - HA PRO 397 Upper HG2 GLU 341 - HB ILE 400 3.75 9 1.46 3.63 + ++* + + +++ peak 3944 HB ILE 100 - HG2 GLU 341 HB VAL 388 - HB ILE 400 HB ILE 100 - HB VAL 388 HB ILE 100 - QG GLU 399 HG LEU 396 - HA VAL 419 HA VAL 119 - HG LEU 396 Upper QE PHE 347 - QG2 VAL 388 3.20 6 0.84 1.66 + +* ++ + peak 1601 QE PHE 47 - QG2 VAL 388 QB ALA 355 - QB ALA 361 QB ALA 61 - QB ALA 355 QB ALA 361 - QB ALA 415 QB ALA 61 - QB ALA 415 Upper HB3 LEU 362 - HD3 PRO 412 3.95 9 1.49 2.74 +++ + + * +++ peak 757 HD3 PRO 112 - HB3 LEU 362 HB3 LEU 365 - HD3 PRO 412 HD3 PRO 112 - HB3 LEU 365 H CYS 349 - HD2 PRO 375 H CYS 49 - HD2 PRO 375 H CYS 349 - HA PHE 392 H CYS 49 - HA PHE 392 Upper HE22 GLN 364 - QD1 LEU 368 3.71 8 1.36 2.73 + + +* + + ++ peak 2672 HE22 GLN 64 - QD1 LEU 368 HE22 GLN 364 - HB3 LEU 373 HE22 GLN 64 - HB3 LEU 373 H CYS 349 - HB3 ARG 374 HB3 ARG 74 - H CYS 349 HB3 ARG 374 - H ARG 408 HB3 ARG 74 - H ARG 408 Upper HB2 LEU 365 - QB ALA 395 3.78 12 1.48 1.92 + + +++ + *+++ ++ peak 3625 QB ALA 95 - HB2 LEU 365 HB2 LEU 393 - QB ALA 395 QB ALA 95 - HB2 LEU 393 QB ALA 395 - HB3 GLN 401 QB ALA 95 - HB3 GLN 401 QB ALA 395 - HB3 GLU 425 QB ALA 95 - HB3 GLU 425 HE21 GLN 371 - QG GLN 407 QG GLN 107 - HE21 GLN 371 H GLN 382 - QG GLN 407 QG GLN 107 - H GLN 382 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 17 1.78 2.16 ++++++++++ ++++ +*+ peak 212 HZ3 TRP 72 - HB2 TRP 372 Upper HE1 TRP 372 - HB3 LEU 386 4.19 9 1.24 2.02 + ++ ++ + * + + peak 1499 HE1 TRP 72 - HB3 LEU 386 HA3 GLY 339 - HA HIS 351 HA3 GLY 39 - HA HIS 351 HA3 GLY 339 - HA PRO 397 HA3 GLY 39 - HA PRO 397 Upper QG1 VAL 377 - QG ARG 408 3.61 14 1.64 3.02 ++ *++ +++ +++ +++ peak 2042 QG ARG 108 - QG1 VAL 377 QG2 VAL 377 - QG ARG 408 QG ARG 108 - QG2 VAL 377 HB3 HIS 351 - QG GLU 354 HB3 HIS 51 - QG GLU 354 HB3 HIS 351 - HB2 GLN 364 HB3 HIS 51 - HB2 GLN 364 Upper HA MET 383 - QD1 LEU 384 3.11 8 1.44 2.01 ++* ++ +++ peak 8316 QD1 LEU 84 - HA MET 383 Upper QD PHE 392 - HG2 PRO 397 4.82 7 1.45 1.97 +++ ++ * + peak 3431 HG2 PRO 97 - QD PHE 392 H LEU 396 - HG2 PRO 397 HG2 PRO 97 - H LEU 396 Upper HA2 GLY 410 - HB3 SER 411 3.88 9 1.34 1.63 ++ * + +++++ peak 3722 HB3 SER 111 - HA2 GLY 410 VdW HA2 GLY 39 - CD PRO 40 2.60 9 0.17 0.30 + + + ++ ++ + * VdW H ARG 44 - CG ARG 44 2.55 7 0.12 0.36 +*+ ++ + + VdW CD2 PHE 47 - C PHE 47 3.10 8 0.16 0.51 +* + ++ + + + VdW CD1 TYR 52 - C TYR 52 3.10 8 0.20 0.82 * + ++++ ++ VdW HD1 TYR 52 - C TYR 52 2.50 7 0.18 0.93 * + +++ + + VdW HD1 TYR 52 - N GLU 53 2.45 10 0.21 0.52 +++ + ++* +++ VdW CE2 TYR 52 - HD3 PRO 97 2.60 6 0.14 0.67 ++* +++ VdW CD2 TYR 52 - HD3 PRO 97 2.60 6 0.17 0.73 + + * + ++ VdW HD2 TYR 52 - HB2 LEU 96 2.00 6 0.10 0.44 ++ ++ +* VdW OH TYR 52 - HA2 GLY 57 2.30 6 0.12 0.37 + * +++ + VdW OH TYR 52 - HD3 PRO 58 2.30 10 0.23 0.61 ++ + + +*+ +++ VdW O GLU 53 - N THR 56 2.75 7 0.16 0.38 ++ ++ +* + VdW CG2 THR 56 - C THR 56 2.90 12 0.18 0.32 ++ + ++++*+ ++ + VdW C THR 56 - O GLY 57 2.80 10 0.18 0.39 *+++ + + + + ++ VdW O THR 56 - C GLY 57 2.80 10 0.18 0.39 *+++ + + ++ + + VdW O THR 56 - O GLY 57 2.60 16 0.45 0.96 *++++++++ ++ +++++ VdW O THR 56 - CB GLU 60 2.90 7 0.15 0.34 + + + *++ + VdW O THR 56 - HB3 GLU 60 2.30 9 0.19 0.58 + + + + * ++++ VdW O THR 56 - CG GLU 60 2.90 6 0.12 0.62 + + + * + + VdW CB PRO 58 - HA ALA 116 2.60 6 0.15 0.66 + ++ ++* VdW HB2 PRO 58 - CA ALA 116 2.60 7 0.17 0.44 * ++ + + + + VdW HB2 PRO 58 - HA ALA 116 2.00 12 0.27 0.77 + + *+ +++ +++ ++ VdW HB2 PRO 58 - CB ALA 116 2.60 6 0.17 0.64 * + + + + + VdW HG2 PRO 58 - NE2 GLN 59 2.45 7 0.14 0.48 + * + + + + + VdW O PRO 58 - N LEU 62 2.75 8 0.14 0.37 + + +++ + +* VdW O PRO 58 - H LEU 62 1.80 6 0.11 0.35 + +++ +* VdW O PRO 58 - CD2 LEU 62 2.90 6 0.10 0.42 + ++ *+ + VdW NE2 GLN 59 - CB ALA 116 3.05 6 0.13 0.43 + * + + + + VdW HG3 GLU 60 - C GLU 60 2.50 6 0.11 0.40 ++ + + + * VdW CA LEU 62 - CD1 LEU 62 3.00 6 0.09 0.27 *+ + + + + VdW HB3 LEU 62 - HB2 PRO 112 2.00 7 0.16 0.58 +* + + + + + VdW CD1 LEU 62 - CB ALA 116 3.20 6 0.12 0.38 +++ + * + VdW CD2 LEU 62 - CB PRO 112 3.20 6 0.09 0.46 + + + + +* VdW O GLN 64 - N LEU 68 2.75 7 0.12 0.36 + *++ + ++ VdW O LEU 65 - SG CYS 69 3.10 9 0.27 0.82 * + + ++ +++ + VdW HA ARG 66 - SG CYS 69 2.80 6 0.17 0.70 + ++ * + + VdW CG GLU 67 - C GLU 67 2.90 10 0.17 0.24 + + ++++*+ ++ VdW HG3 GLU 67 - C GLU 67 2.50 6 0.15 0.47 ++++* + VdW H CYS 69 - SG CYS 69 2.75 6 0.12 0.40 + + + ++* VdW SG CYS 69 - H ARG 70 2.75 6 0.12 0.61 + + ++ +* VdW SG CYS 69 - CD2 LEU 87 3.40 6 0.12 0.46 + ++ *+ + VdW O CYS 69 - C ARG 70 2.80 6 0.18 0.32 * ++ + + + VdW O CYS 69 - N TRP 72 2.75 14 0.25 0.51 +++* +++++++++ + VdW O CYS 69 - H TRP 72 1.80 10 0.19 0.34 ++++ ++ * ++ + VdW CG ARG 70 - C ARG 70 2.90 6 0.08 0.24 ++ + * + + VdW C ARG 70 - H TRP 72 2.45 6 0.14 0.39 ++ ++ * + VdW H GLN 71 - CG GLN 71 2.55 6 0.17 0.40 + + +*++ VdW CG TRP 72 - C TRP 72 2.90 19 0.23 0.26 ++++++* ++++++++++++ VdW CD1 TRP 72 - C TRP 72 3.10 17 0.38 0.66 ++*++++ +++++++++ + VdW CD1 TRP 72 - O TRP 72 2.90 19 0.52 1.03 +++++++ ++++++*+++++ VdW HD1 TRP 72 - C TRP 72 2.50 7 0.14 0.58 * +++ ++ + VdW HD1 TRP 72 - O TRP 72 2.30 18 0.50 0.90 +++++++ ++++*++++++ VdW CD1 LEU 73 - CD2 LEU 87 3.20 9 0.18 0.74 +*+ ++ ++++ VdW C LEU 73 - CD PRO 75 3.10 6 0.17 0.66 * +++ ++ VdW O LEU 73 - CB ARG 74 2.90 9 0.19 0.50 ++++ + + + * + VdW N ARG 74 - CD PRO 75 3.05 12 0.32 0.81 + ++ ++++ *++ ++ VdW N ARG 74 - HD2 PRO 75 2.45 6 0.16 0.66 + +++ +* VdW CB ARG 78 - H SER 79 2.55 8 0.20 0.40 + + * + ++ + + VdW C MET 83 - N GLU 85 2.95 6 0.11 0.37 + *++ + + VdW C MET 83 - H GLU 85 2.45 6 0.11 0.41 + *+ + + + VdW O MET 83 - C LEU 84 2.80 6 0.13 0.33 ++++ * + VdW O MET 83 - N GLU 85 2.75 6 0.17 0.96 ++++ * + VdW O MET 83 - N LEU 86 2.75 8 0.19 0.40 + +++++ + * VdW O MET 83 - H LEU 86 1.80 7 0.14 0.36 + *+++ + + VdW O MET 83 - CD2 LEU 86 2.90 7 0.16 0.91 + ++ ++ * + VdW O MET 83 - HD23 LEU 86 2.30 6 0.10 0.71 + + +++ * VdW HA LEU 84 - CD2 LEU 87 2.60 9 0.21 0.76 + * + + + + +++ VdW C LEU 84 - N LEU 86 2.95 7 0.14 0.33 * + + + + ++ VdW C LEU 84 - H LEU 86 2.45 9 0.21 0.47 * + +++ + + ++ VdW CG GLU 85 - C GLU 85 2.90 7 0.11 0.24 ++ + + + * + VdW O GLU 85 - CB LEU 89 2.90 6 0.16 0.48 * + + + ++ VdW N LEU 87 - CD1 LEU 87 3.05 7 0.14 0.59 + + *++ + + VdW H LEU 87 - CD1 LEU 87 2.55 6 0.13 0.57 + + +* ++ VdW H VAL 88 - CG2 VAL 88 2.55 6 0.11 0.44 + + *+ ++ VdW CG1 VAL 88 - HB3 PRO 112 2.60 8 0.18 0.70 + + ++ + + + * VdW O VAL 88 - N PHE 92 2.75 10 0.19 0.66 + + + +++* +++ VdW O GLN 91 - C PHE 92 2.80 6 0.14 0.36 ++ ++* + VdW O GLN 91 - N ALA 95 2.75 8 0.17 0.45 + ++ * ++ ++ VdW O PHE 92 - N LEU 96 2.75 9 0.22 0.83 + + ++ +*+ ++ VdW O PHE 92 - CB LEU 96 2.90 6 0.15 0.63 + + +* ++ VdW CB LEU 96 - CD PRO 97 3.20 8 0.18 0.55 +++ * + +++ VdW CB LEU 96 - HD2 PRO 97 2.60 10 0.23 0.66 +++ +*++ +++ VdW HB2 LEU 96 - CD PRO 97 2.60 7 0.17 0.70 +++ * +++ VdW HB2 LEU 96 - HD2 PRO 97 2.00 9 0.28 0.89 +++ *++ +++ VdW CG LEU 96 - HD2 PRO 97 2.60 6 0.14 0.64 + +++ + * VdW CD1 LEU 96 - N PRO 97 3.05 6 0.14 0.57 + *+ +++ VdW CD1 LEU 96 - CD PRO 97 3.20 7 0.15 0.48 +++ + *++ VdW CD1 LEU 96 - HD2 PRO 97 2.60 10 0.18 0.64 +++* + + + +++ VdW CD1 LEU 96 - O PRO 97 2.90 6 0.27 0.99 + +* +++ VdW CD1 LEU 96 - HB ILE 100 2.60 6 0.17 0.93 + ++ *++ VdW CD1 LEU 96 - H GLN 101 2.55 6 0.18 0.86 + *+ +++ VdW HD12 LEU 96 - HD2 PRO 97 2.00 6 0.10 0.47 ++ ++ + * VdW HD12 LEU 96 - HB ILE 100 2.00 6 0.13 0.64 + ++ *++ VdW O LEU 96 - NE2 GLN 101 2.75 11 0.25 0.75 ++ * ++ ++ + + ++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 13 0.29 0.59 + + ++* ++++++++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 7 0.17 0.80 + + ++ + + * VdW HG2 PRO 97 - CD1 ILE 100 2.60 7 0.18 0.63 + + ++* ++ VdW O PRO 97 - CB GLN 101 2.90 7 0.14 0.54 ++ + ++ *+ VdW O PRO 97 - CG GLN 101 2.90 9 0.28 0.99 + + +++ + * ++ VdW O PRO 97 - HG3 GLN 101 2.30 11 0.29 0.89 + + +++ *+++ ++ VdW N ILE 100 - CD1 ILE 100 3.05 8 0.24 0.81 + + +*+ +++ VdW O ILE 100 - C GLN 101 2.80 12 0.20 0.38 ++ + + ++ ++* +++ VdW O ILE 100 - N ARG 103 2.75 14 0.24 0.53 +++++ + +++ +* +++ VdW O ILE 100 - N VAL 104 2.75 9 0.21 0.60 + ++ *++ +++ VdW O ILE 100 - H VAL 104 1.80 9 0.15 0.49 + *+ +++ +++ VdW CG1 VAL 104 - C VAL 104 2.90 11 0.17 0.33 + ++ ++ *++ + ++ VdW N ARG 108 - CD PRO 109 3.05 7 0.14 0.78 + ++ + ++* VdW HB3 PRO 109 - HA ALA 115 2.00 6 0.09 0.32 +++ *++ VdW CB SER 111 - CD PRO 112 3.20 14 0.27 0.48 + ++ +++ + ++++*++ VdW CB SER 111 - HD2 PRO 112 2.60 15 0.36 0.58 + +++ +++ + ++++*++ VdW HB3 SER 111 - HD2 PRO 112 2.00 11 0.21 0.55 + ++ + +* +++++ VdW O ALA 115 - HG LEU 118 2.30 11 0.26 0.75 + *+ + + + ++ +++ VdW H LEU 118 - CG LEU 118 2.55 11 0.18 0.34 + ++ + ++ + +* ++ VdW H LEU 118 - HG LEU 118 1.95 9 0.18 0.51 + +*+ + + ++ + VdW O LEU 118 - N LEU 122 2.75 12 0.22 0.62 +* ++ ++++ +++ + VdW CD1 LEU 122 - C LEU 122 3.10 7 0.15 0.48 + *+ ++ ++ VdW HA2 GLY 339 - CD PRO 340 2.60 12 0.19 0.30 +++ ++*+ ++ + + + VdW CE2 PHE 347 - CD2 LEU 365 3.20 7 0.11 0.53 + + * ++++ VdW CE2 PHE 347 - SG CYS 369 3.40 6 0.13 0.76 ++ + ++ * VdW HZ PHE 350 - CB ALA 361 2.60 6 0.10 0.56 ++ * + + + VdW CD1 TYR 352 - C TYR 352 3.10 8 0.17 0.62 + +++ ++ * + VdW HD1 TYR 352 - C TYR 352 2.50 6 0.11 0.61 ++ ++ * + VdW CD2 TYR 352 - C TYR 352 3.10 8 0.17 0.50 * + ++++ ++ VdW HD2 TYR 352 - C TYR 352 2.50 6 0.09 0.37 + * ++ ++ VdW O GLU 353 - N THR 356 2.75 10 0.18 0.42 + + ++ +++ *++ VdW H GLU 354 - CG GLU 354 2.55 8 0.13 0.33 +* ++ ++ ++ VdW CG2 THR 356 - C THR 356 2.90 10 0.15 0.32 + + * + ++++++ VdW C THR 356 - O GLY 357 2.80 7 0.14 0.32 + + ++++ * VdW O THR 356 - C GLY 357 2.80 7 0.13 0.35 + + ++++ * VdW O THR 356 - O GLY 357 2.60 12 0.34 0.77 ++ + ++++++ ++* VdW O THR 356 - CB GLU 360 2.90 7 0.15 0.36 ++ +* + + + VdW O THR 356 - HB2 GLU 360 2.30 7 0.11 0.38 ++ *++ + + VdW O THR 356 - HB3 GLU 360 2.30 8 0.16 0.45 + + *++ +++ VdW CB PRO 358 - HA ALA 416 2.60 9 0.24 0.84 * + + + + +++ + VdW HB2 PRO 358 - CA ALA 416 2.60 10 0.20 0.54 +* ++++ ++ + + VdW HB2 PRO 358 - HA ALA 416 2.00 14 0.31 0.76 +*++++ +++ ++ +++ VdW HB2 PRO 358 - CB ALA 416 2.60 6 0.14 0.67 + + +* + + VdW HG2 PRO 358 - NE2 GLN 359 2.45 7 0.13 0.35 ++ + +* ++ VdW O PRO 358 - N LEU 362 2.75 12 0.22 0.57 ++ + + +++ +* +++ VdW O PRO 358 - H LEU 362 1.80 8 0.15 0.32 + * + +++ + + VdW O PRO 358 - CB LEU 362 2.90 6 0.16 0.75 ++ * +++ VdW O PRO 358 - CD2 LEU 362 2.90 7 0.13 0.44 + +++ ++ * VdW H GLU 360 - CG GLU 360 2.55 7 0.10 0.35 ++ + ++ * + VdW CD1 LEU 362 - O PRO 412 2.90 6 0.14 0.48 + ++ + *+ VdW CD1 LEU 362 - CB ALA 416 3.20 6 0.10 0.42 + ++ * + + VdW O GLN 364 - N LEU 368 2.75 8 0.20 0.70 + + ++*+++ VdW O GLN 364 - H LEU 368 1.80 7 0.13 0.40 + + *++++ VdW O LEU 365 - SG CYS 369 3.10 8 0.22 0.68 *+ + + + + ++ VdW H ARG 366 - CG ARG 366 2.55 6 0.12 0.40 ++ ++ * + VdW CG GLU 367 - C GLU 367 2.90 7 0.13 0.24 *+ ++ +++ VdW CA LEU 368 - CD1 LEU 368 3.00 6 0.11 0.27 + +++ + * VdW CB CYS 369 - CD2 LEU 387 3.20 7 0.15 0.52 ++ + +++* VdW SG CYS 369 - CD1 LEU 373 3.40 7 0.17 0.65 * + ++ + ++ VdW SG CYS 369 - CD2 LEU 387 3.40 7 0.19 0.54 + +* + ++ + VdW SG CYS 369 - HD21 LEU 387 2.80 8 0.15 0.68 +++++ + +* VdW O CYS 369 - C ARG 370 2.80 10 0.22 0.43 + +++* +++++ VdW O CYS 369 - N GLN 371 2.75 8 0.16 0.55 + + + +*+++ VdW O CYS 369 - N TRP 372 2.75 17 0.36 0.74 ++++ ++++*++++++++ VdW O CYS 369 - H TRP 372 1.80 13 0.28 0.70 + ++ +++++++ +*+ VdW H GLN 371 - CG GLN 371 2.55 12 0.21 0.40 +++++ + +++ * ++ VdW H GLN 371 - HG2 GLN 371 1.95 6 0.11 0.26 * + + + ++ VdW CG TRP 372 - C TRP 372 2.90 18 0.24 0.25 +++++++++++ ++++++* VdW CD1 TRP 372 - C TRP 372 3.10 19 0.45 0.66 +++++++++++*++++++ + VdW CD1 TRP 372 - O TRP 372 2.90 18 0.49 1.02 +++++*++ + +++++++++ VdW HD1 TRP 372 - C TRP 372 2.50 9 0.19 0.71 ++++ + + * + + VdW HD1 TRP 372 - O TRP 372 2.30 18 0.51 0.82 +*++++++++ +++++++ + VdW CH2 TRP 372 - CD2 LEU 387 3.20 6 0.12 0.49 ++ + + +* VdW HB3 LEU 373 - HB2 MET 383 2.00 6 0.13 0.63 +* + ++ + VdW HB3 LEU 373 - CE MET 383 2.60 6 0.13 0.47 ++ + + +* VdW CD1 LEU 373 - CD2 LEU 387 3.20 9 0.15 0.42 ++ + + +* + + + VdW O LEU 373 - CB ARG 374 2.90 10 0.20 0.56 + + + +++ + ++* VdW O LEU 373 - HB2 ARG 374 2.30 7 0.13 0.50 + + + + ++* VdW N ARG 374 - CD PRO 375 3.05 9 0.23 0.80 ++ ++++ +* + VdW N ARG 374 - HD2 PRO 375 2.45 6 0.14 0.68 +++ + * + VdW CB ARG 378 - H SER 379 2.55 12 0.22 0.40 ++ +++* ++ + +++ VdW O LYS 380 - HB2 LEU 384 2.30 7 0.12 0.48 + +*+ + + + VdW N MET 383 - HG3 MET 383 2.45 6 0.10 0.38 ++ *+ ++ VdW H MET 383 - HG3 MET 383 1.95 6 0.10 0.43 + + +* ++ VdW HB2 MET 383 - HE3 MET 383 2.00 6 0.10 0.37 + + + * ++ VdW O MET 383 - N LEU 386 2.75 11 0.17 0.44 ++ +++ ++* + ++ VdW O MET 383 - HB3 LEU 386 2.30 6 0.13 0.51 ++*++ + VdW N LEU 384 - CD1 LEU 384 3.05 6 0.11 0.44 * + ++ + + VdW C LEU 384 - H LEU 386 2.45 9 0.16 0.47 *+++++ + + + VdW CG GLU 385 - C GLU 385 2.90 8 0.11 0.24 + +++ + + *+ VdW O GLU 385 - HB2 LEU 389 2.30 7 0.15 0.63 + + +++*+ VdW N LEU 387 - CD1 LEU 387 3.05 6 0.13 0.54 + + * + + + VdW H LEU 387 - CD1 LEU 387 2.55 6 0.13 0.64 +* +++ + VdW CD2 LEU 387 - H VAL 388 2.55 6 0.12 0.64 + +++ +* VdW O LEU 387 - N GLN 391 2.75 14 0.30 0.72 ++++ +++ + ++ +* ++ VdW O LEU 387 - H GLN 391 1.80 11 0.23 0.74 ++++ + + ++++* VdW CA VAL 388 - HB2 PHE 392 2.60 8 0.18 0.57 + * +++ +++ VdW HA VAL 388 - HB2 PHE 392 2.00 7 0.14 0.57 + ++* +++ VdW CB VAL 388 - CB PHE 392 3.20 6 0.09 0.35 + +*+ ++ VdW CB VAL 388 - HB2 PHE 392 2.60 6 0.13 0.51 + +++ * + VdW CG1 VAL 388 - HB2 PHE 392 2.60 6 0.10 0.42 + +++ +* VdW CG1 VAL 388 - CB PRO 412 3.20 6 0.13 0.48 + +* + + + VdW CG1 VAL 388 - HB3 PRO 412 2.60 9 0.24 0.64 ++ + + ++ ++* VdW O VAL 388 - N PHE 392 2.75 7 0.12 0.44 + * +++ + + VdW O GLN 391 - C PHE 392 2.80 6 0.17 0.32 + * + + + + VdW O GLN 391 - N ALA 395 2.75 6 0.14 0.53 + + *+ + + VdW O PHE 392 - N LEU 396 2.75 9 0.24 0.71 +++ +++ +*+ VdW O PHE 392 - CB LEU 396 2.90 9 0.14 0.47 +++ +++ ++* VdW CB LEU 396 - CD PRO 397 3.20 8 0.16 0.67 + + +* ++++ VdW CB LEU 396 - HD2 PRO 397 2.60 8 0.20 0.76 + + +* ++++ VdW HB2 LEU 396 - HD2 PRO 397 2.00 6 0.20 1.06 ++ ++*+ VdW CD1 LEU 396 - HD2 PRO 397 2.60 6 0.15 0.63 + * + ++ + VdW CD1 LEU 396 - O PRO 397 2.90 6 0.19 0.99 +++ *++ VdW CD2 LEU 396 - CG2 ILE 400 3.20 7 0.12 0.43 + +*++ ++ VdW O LEU 396 - NE2 GLN 401 2.75 9 0.21 0.67 + + * ++ +++ + VdW CG PRO 397 - CG1 ILE 400 3.20 11 0.22 0.51 + + +* +++++++ VdW CG PRO 397 - HG12 ILE 400 2.60 7 0.17 0.54 * ++ ++ ++ VdW HG2 PRO 397 - CB ILE 400 2.60 8 0.16 0.49 ++ * + + + ++ VdW HG2 PRO 397 - HB ILE 400 2.00 6 0.14 0.69 *+ + + + + VdW HG2 PRO 397 - CG1 ILE 400 2.60 14 0.34 0.74 + ++ *+++ +++++++ VdW HG2 PRO 397 - HG12 ILE 400 2.00 8 0.18 0.67 + +++* ++ + VdW HG2 PRO 397 - CD1 ILE 400 2.60 6 0.16 0.64 + ++ *++ VdW O PRO 397 - CG GLN 401 2.90 12 0.37 0.95 + * + ++ ++++ +++ VdW O PRO 397 - HG2 GLN 401 2.30 6 0.14 0.59 + * + ++ + VdW O PRO 397 - HG3 GLN 401 2.30 11 0.32 1.02 + + + +* ++ + +++ VdW N ILE 400 - CD1 ILE 400 3.05 6 0.19 0.73 * ++ +++ VdW O ILE 400 - C GLN 401 2.80 10 0.19 0.41 + ++ ++++* ++ VdW O ILE 400 - N ARG 403 2.75 11 0.25 0.78 + +++ ++++* ++ VdW O ILE 400 - N VAL 404 2.75 10 0.23 0.79 ++ ++ ++* +++ VdW O ILE 400 - H VAL 404 1.80 10 0.18 0.73 ++ ++ ++* +++ VdW CG1 VAL 404 - C VAL 404 2.90 12 0.18 0.33 *+ + ++ + +++ +++ VdW HA ARG 408 - CD PRO 409 2.60 7 0.12 0.30 + +++* + + VdW HG3 PRO 409 - CB ALA 415 2.60 7 0.15 0.49 + ++ + *+ + VdW O GLY 410 - OG SER 411 2.60 6 0.13 0.58 * ++ +++ VdW CB SER 411 - CD PRO 412 3.20 14 0.31 1.00 + ++ +++++ + +++* + VdW CB SER 411 - HD2 PRO 412 2.60 19 0.38 0.77 ++++++++++++ +++*+++ VdW OG SER 411 - HD2 PRO 412 2.30 7 0.15 0.57 ++ + +++ * VdW O ALA 415 - HG LEU 418 2.30 9 0.16 0.52 ++++++*+ + VdW H LEU 418 - CG LEU 418 2.55 11 0.18 0.35 ++*+ +++ +++ + VdW H LEU 418 - HG LEU 418 1.95 11 0.19 0.44 +++*+++ +++ + VdW O LEU 418 - N LEU 422 2.75 11 0.19 0.52 ++++ ++ + ++* + VdW CD1 LEU 422 - C LEU 422 3.10 6 0.16 0.33 + ++* + + Angle PSI ARG 44 -54.00 -34.00 13 8.11 50.42 +++ ++*+++ +++ + Angle PHI LEU 45 -72.00 -52.00 7 4.23 20.21 + + * +++ + Angle PSI ARG 46 -48.00 -28.00 8 8.13 57.77 + + * ++ + + + Angle PHI PHE 47 -74.00 -54.00 12 9.36 49.03 ++ * +++++ + ++ + Angle PSI PHE 47 -49.00 -29.00 9 11.61 49.81 + + +*+ ++ + + Angle PSI CYS 49 -51.00 -5.00 17 11.63 42.46 ++++ ++ ++++++++*++ Angle PSI PHE 50 120.00 140.00 14 8.95 21.24 + +++++ +* +++ ++ + Angle PHI HIS 51 -128.00 -90.00 11 7.14 25.24 ++ + + +* +++ ++ Angle PHI TYR 52 -106.00 -68.00 6 3.93 15.00 ++ *+ ++ Angle PSI TYR 52 120.00 140.00 12 8.10 31.37 +++ + + * +++++ + Angle PHI ALA 55 -80.00 -58.00 10 7.79 25.06 +*+ ++++ ++ + Angle PSI ALA 55 -50.00 -30.00 7 4.02 11.13 ++*+ +++ Angle PSI PRO 58 -41.00 -31.00 9 6.97 38.79 + ++ +* +++ + Angle PHI GLN 59 -77.00 -57.00 10 6.85 43.69 ++ ++++* +++ Angle PSI GLN 59 -46.00 -26.00 13 8.47 31.34 ++ + +++ ++* + +++ Angle PHI ALA 63 -76.00 -56.00 10 7.14 27.47 + + + + +++++ * Angle PHI GLN 64 -78.00 -58.00 7 4.58 14.18 + + ++ + * + Angle PHI LEU 65 -71.00 -51.00 9 4.71 20.76 +++++ + + +* Angle PSI LEU 65 -52.00 -32.00 11 8.00 27.78 ++ ++ +++ +++ * Angle PHI ARG 66 -76.00 -56.00 11 7.58 26.63 +++ ++ + + + +* + Angle PSI ARG 66 -50.00 -30.00 9 4.95 21.23 +++ + + ++ * + Angle PHI GLU 67 -79.00 -59.00 6 3.33 13.86 + + + * + + Angle PSI GLU 67 -50.00 -30.00 7 3.62 14.14 + + ++ * ++ Angle PHI LEU 68 -74.00 -54.00 10 3.99 9.84 + ++ + + + * + ++ Angle PSI LEU 68 -52.00 -32.00 6 3.35 16.04 + + *+ + + Angle PHI CYS 69 -76.00 -56.00 12 10.21 31.64 +++ + + + + +++ +* Angle PSI CYS 69 -50.00 -30.00 9 8.30 31.46 + + *+++++ + Angle PHI ARG 70 -73.00 -53.00 19 13.21 24.80 ++++++*+++++++++++ + Angle PHI GLN 71 -76.00 -56.00 7 4.18 15.65 + + ++ + *+ Angle PSI GLN 71 -47.00 -17.00 7 2.80 9.72 ++* + ++ + Angle PHI GLU 76 -78.00 -58.00 6 7.64 30.19 + +* +++ Angle PSI GLU 76 -40.00 -6.00 7 7.65 42.38 + *++ +++ Angle PHI VAL 77 -118.00 -86.00 8 10.69 47.19 + *++++++ Angle PSI SER 79 155.00 175.00 12 15.10 86.38 ++ ++ +++++ + +* Angle PHI LYS 80 -69.00 -49.00 15 12.73 28.85 ++ *+ +++++++++ ++ Angle PSI LYS 80 -48.00 -28.00 8 7.39 36.37 + +++ +*++ Angle PHI GLU 81 -73.00 -53.00 7 13.08 68.29 ++ +*++ + Angle PSI GLU 81 -50.00 -30.00 15 12.77 53.43 +++ + +++++++ +*+ + Angle PHI GLN 82 -76.00 -56.00 16 18.50 62.16 + +++ ++++* +++++ ++ Angle PSI GLN 82 -48.00 -28.00 12 11.78 55.67 + ++ ++ + *++ +++ Angle PHI MET 83 -75.00 -55.00 16 17.21 34.20 ++++++ ++++*++ ++ + Angle PSI MET 83 -52.00 -32.00 14 14.15 42.02 + +* ++ ++ ++++ +++ Angle PHI LEU 84 -73.00 -53.00 14 12.79 80.35 +++ + ++++++*+ ++ Angle PSI LEU 84 -52.00 -32.00 8 6.22 40.32 ++ ++ + + + * Angle PHI GLU 85 -75.00 -55.00 6 3.53 13.96 + ++ + + * Angle PSI GLU 85 -54.00 -34.00 20 22.12 37.06 +++++++++++++++++++* Angle PHI LEU 86 -74.00 -54.00 16 18.30 42.00 + ++ ++++++ ++++++* Angle PSI LEU 86 -51.00 -31.00 7 6.59 27.09 + + +++ * + Angle PHI LEU 87 -77.00 -57.00 14 20.81 59.18 +++*++++ ++++ ++ Angle PSI LEU 87 -51.00 -31.00 14 19.02 50.75 ++ +++++ +++++*+ Angle PHI VAL 88 -78.00 -58.00 9 6.00 20.31 + + + + + + +* + Angle PSI VAL 88 -55.00 -35.00 6 4.72 20.50 + + + + * + Angle PHI LEU 89 -70.00 -50.00 10 11.65 116.05 ++ ++ + ++++ * Angle PHI GLU 90 -73.00 -53.00 14 14.95 50.48 + ++++++ ++ ++*++ Angle PHI GLN 91 -74.00 -54.00 17 15.74 61.72 +++ + ++++++++++*++ Angle PSI GLN 91 -46.00 -26.00 17 14.66 38.30 +++++ + ++ ++++++*++ Angle PHI PHE 92 -74.00 -54.00 18 13.06 30.98 +++++++++++++++++* Angle PSI PHE 92 -55.00 -35.00 9 5.97 31.14 + + ++++*++ Angle PHI LEU 93 -72.00 -52.00 7 3.25 10.23 + ++ + + +* Angle PHI GLY 94 -80.00 -56.00 8 6.74 24.41 + + ++ + *++ Angle PSI PRO 97 132.20 154.90 9 5.74 21.71 + + + * +++ + + Angle PSI PRO 98 -46.00 -28.00 19 18.74 34.60 +++ +++++++++++++*++ Angle PHI GLU 99 -76.00 -56.00 16 17.89 40.63 + ++++ ++*++++ ++++ Angle PSI GLU 99 -47.00 -27.00 7 4.34 20.99 ++ + * + ++ Angle PHI ILE 100 -73.00 -53.00 19 25.16 41.06 ++++ ++++++*++++++++ Angle PSI ILE 100 -52.00 -32.00 10 8.56 28.89 + +* +++ ++ ++ Angle PHI GLN 101 -71.00 -51.00 18 13.33 29.13 ++++++++++++++* +++ Angle PSI GLN 101 -51.00 -31.00 12 8.58 31.84 ++++ +++ + * ++ + Angle PHI ALA 102 -72.00 -52.00 8 5.34 36.40 ++* + + +++ Angle PSI ALA 102 -51.00 -31.00 6 3.50 10.78 ++ + * + + Angle PHI ARG 103 -73.00 -53.00 15 12.64 30.43 + +++++++++ * + +++ Angle PSI ARG 103 -53.00 -33.00 6 3.85 15.63 + + ++ * + Angle PHI VAL 104 -77.00 -57.00 7 4.43 20.94 + ++ ++ *+ Angle PSI VAL 104 -54.00 -34.00 7 4.80 26.06 + + ++ +* + Angle PHI GLN 105 -72.00 -52.00 10 5.61 25.85 ++ + ++ * +++ + Angle PHI GLY 106 -79.00 -59.00 11 5.64 20.70 +++ +++++ * + + Angle PSI GLY 106 -40.00 -6.00 8 9.22 62.29 ++ ++* + + + Angle PHI GLY 110 58.00 92.00 12 10.92 51.05 + + ++++ +++*+ + Angle PSI GLY 110 -10.00 46.00 10 6.53 37.81 + ++ +* ++++ + Angle PSI PRO 112 -44.00 -28.00 16 10.60 38.74 +++++++++++ +* + ++ Angle PHI GLU 114 -74.00 -54.00 11 7.03 21.88 ++ + ++++ *+ + + Angle PSI ALA 116 -50.00 -30.00 8 4.89 15.04 ++ +* ++ ++ Angle PHI ALA 117 -74.00 -54.00 6 4.14 16.10 * + + ++ + Angle PHI VAL 119 -74.00 -54.00 7 5.70 38.79 + + * +++ + Angle PSI ARG 344 -54.00 -34.00 14 7.70 27.12 +++++ * ++ +++ +++ Angle PSI ARG 346 -48.00 -28.00 6 4.63 45.46 + +*+ + + Angle PHI PHE 347 -74.00 -54.00 12 8.47 58.42 ++ *+++ ++ ++++ Angle PSI PHE 347 -49.00 -29.00 7 6.34 46.84 + + +*+ + + Angle PSI CYS 349 -51.00 -5.00 17 10.61 36.23 ++++++*+ ++ +++ ++++ Angle PSI PHE 350 120.00 140.00 12 6.90 18.74 ++ ++* +++ + + ++ Angle PHI HIS 351 -128.00 -90.00 8 6.24 33.48 + + + + +* ++ Angle PHI TYR 352 -106.00 -68.00 13 7.62 15.64 +++++++ ++* ++ + Angle PSI TYR 352 120.00 140.00 14 9.52 23.77 ++ ++ +++* ++ ++++ Angle PHI ALA 355 -80.00 -58.00 11 8.64 51.51 ++ + + *++++++ Angle PSI THR 356 -15.00 15.00 6 3.47 24.18 +++ ++ * Angle PSI PRO 358 -41.00 -31.00 12 8.07 29.50 ++ + ++ +*++++ + Angle PHI GLN 359 -77.00 -57.00 8 7.37 66.34 ++ +*++ ++ Angle PSI GLN 359 -46.00 -26.00 11 6.12 17.23 ++ ++* + + + +++ Angle PHI ALA 363 -76.00 -56.00 10 6.45 22.25 ++ + +* + ++++ Angle PHI GLN 364 -78.00 -58.00 6 4.04 19.79 ++ + + +* Angle PSI GLN 364 -51.00 -31.00 6 3.87 27.89 + + *+ ++ Angle PHI LEU 365 -71.00 -51.00 6 3.87 19.95 + *+++ + Angle PSI LEU 365 -52.00 -32.00 11 8.03 30.92 + +* ++++++ + + Angle PHI ARG 366 -76.00 -56.00 7 8.53 66.40 + *+++ + + Angle PSI ARG 366 -50.00 -30.00 6 5.85 68.32 + + * + ++ Angle PHI GLU 367 -79.00 -59.00 9 8.53 50.50 + + *+ + + ++ + Angle PHI CYS 369 -76.00 -56.00 16 8.82 20.04 +++++ +++++*+++++ Angle PSI CYS 369 -50.00 -30.00 9 5.49 15.04 +++ ++ + + + * Angle PHI ARG 370 -73.00 -53.00 19 18.95 45.38 +++++*+++++++++++++ Angle PHI GLN 371 -76.00 -56.00 6 3.82 11.38 * + ++ + + Angle PHI GLU 376 -78.00 -58.00 7 6.70 34.34 + + ++ * ++ Angle PSI GLU 376 -40.00 -6.00 6 6.15 28.44 +++ + + * Angle PHI VAL 377 -118.00 -86.00 8 6.94 30.08 + + +++ + +* Angle PHI SER 379 -113.00 -71.00 7 4.96 23.90 +++ ++* + Angle PSI SER 379 155.00 175.00 16 13.91 60.83 +++++ ++++++++ + *+ Angle PHI LYS 380 -69.00 -49.00 11 7.99 29.89 ++ + +++ + ++ + * Angle PSI LYS 380 -48.00 -28.00 6 5.41 37.84 + + + + +* Angle PHI GLU 381 -73.00 -53.00 8 5.06 29.36 + ++ ++ ++ * Angle PSI GLU 381 -50.00 -30.00 13 11.30 80.91 + +++++ ++++ ++* Angle PHI GLN 382 -76.00 -56.00 11 10.37 88.13 + ++ +++ +++ *+ Angle PSI GLN 382 -48.00 -28.00 8 6.02 34.48 +++++ + +* Angle PHI MET 383 -75.00 -55.00 13 14.79 41.51 +++++++ +++ *++ Angle PSI MET 383 -52.00 -32.00 14 9.73 33.51 ++ *+ +++++ ++++ + Angle PHI LEU 384 -73.00 -53.00 12 9.30 39.78 ++ +++ ++++ +*+ Angle PSI LEU 384 -52.00 -32.00 6 4.25 25.10 + ++* + + Angle PSI GLU 385 -54.00 -34.00 18 17.51 26.36 ++++*++++ ++++ +++++ Angle PHI LEU 386 -74.00 -54.00 15 13.02 29.09 + ++++++*+ +++ +++ Angle PSI LEU 386 -51.00 -31.00 9 9.25 26.51 +++ +*+ +++ Angle PHI LEU 387 -77.00 -57.00 13 18.63 39.85 *++++++++ +++ + Angle PSI LEU 387 -51.00 -31.00 12 16.67 45.70 + +++* +++++++ Angle PHI VAL 388 -78.00 -58.00 9 5.49 16.32 ++++ ++ + *+ Angle PHI LEU 389 -70.00 -50.00 12 6.52 20.79 ++++++ + ++++* Angle PSI LEU 389 -57.00 -37.00 7 3.78 11.95 + + + ++* + Angle PHI GLU 390 -73.00 -53.00 15 16.18 40.30 ++ + ++++ ++++*+++ Angle PSI GLU 390 -52.00 -32.00 10 6.39 33.44 + ++++* +++ + Angle PHI GLN 391 -74.00 -54.00 19 12.77 19.56 ++ +++++++++++*+++++ Angle PSI GLN 391 -46.00 -26.00 20 14.12 29.55 ++++++++++++++++++*+ Angle PHI PHE 392 -74.00 -54.00 19 13.80 25.31 +++++++ ++*+++++++++ Angle PHI LEU 393 -72.00 -52.00 6 4.26 45.55 + + + + * + Angle PSI LEU 393 -49.00 -29.00 6 3.65 12.42 + + *+ + + Angle PHI GLY 394 -80.00 -56.00 6 6.32 32.24 + +*+ + + Angle PSI GLY 394 -46.00 -8.00 6 2.84 12.81 + *+ + + + Angle PSI PRO 397 132.20 154.90 12 9.18 27.39 +++ *+ + ++++++ Angle PSI PRO 398 -46.00 -28.00 19 20.98 41.47 +++++++* +++++++++++ Angle PHI GLU 399 -76.00 -56.00 19 25.01 47.01 +++++*++ +++++++++++ Angle PHI ILE 400 -73.00 -53.00 20 18.61 40.48 ++++++++*+++++++++++ Angle PSI ILE 400 -52.00 -32.00 11 9.34 29.44 + + + +*++++++ Angle PHI GLN 401 -71.00 -51.00 16 12.92 32.56 + +++++++ ++++*+++ Angle PSI GLN 401 -51.00 -31.00 10 8.43 33.77 + + *++++ + + + Angle PHI ALA 402 -72.00 -52.00 9 11.13 100.75 ++ + * + + + ++ Angle PSI ALA 402 -51.00 -31.00 12 8.77 52.48 +++++ + ++ + * ++ Angle PHI ARG 403 -73.00 -53.00 13 10.76 36.11 + + + +++ +++* +++ Angle PHI GLN 405 -72.00 -52.00 7 4.21 11.15 + ++ + +* + Angle PHI GLY 410 58.00 92.00 11 13.07 83.68 + ++ ++ +++ *++ Angle PSI PRO 412 -44.00 -28.00 12 8.69 29.22 ++ + +++++* + + + Angle PHI GLU 413 -75.00 -55.00 8 5.99 25.46 + + +*+ +++ Angle PHI GLU 414 -74.00 -54.00 10 5.44 24.70 + + ++++ + +*+ Angle PSI ALA 416 -50.00 -30.00 7 4.08 11.58 ++ ++ * ++ Angle PHI ALA 417 -74.00 -54.00 9 6.84 19.96 + + +++* ++ + Angle PSI VAL 419 -53.00 -33.00 9 4.63 11.77 +*+ + + ++++ 27 violated distance constraints. 160 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 2.99 +/- 1.57 A (1.14..8.29 A; 20 structures) Average heavy atom RMSD to mean : 3.45 +/- 1.52 A (1.61..8.50 A; 20 structures)