Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 344.91 14 0.0578 2.31 232 150.1 0.76 72 5.6932 31.68 2 375.12 13 0.0570 2.01 316 188.7 0.79 69 8.1079 41.49 3 416.98 21 0.0632 2.24 277 167.7 0.76 77 7.3655 41.06 4 424.55 22 0.0621 2.21 297 182.9 0.77 68 8.6362 65.80 5 427.58 14 0.0616 1.82 382 215.9 0.77 77 8.1272 33.52 6 444.80 19 0.0649 2.29 288 181.5 0.87 64 7.3183 41.60 7 477.88 19 0.0657 2.38 332 195.0 1.28 72 7.9557 53.45 8 480.86 22 0.0659 2.28 355 204.0 0.89 75 9.2894 45.25 9 484.06 22 0.0664 2.35 344 199.6 0.99 84 8.8611 42.93 10 501.14 27 0.0682 2.33 347 203.2 0.93 76 8.0950 41.35 11 502.95 15 0.0662 2.39 368 214.1 0.94 80 9.5510 58.48 12 511.55 27 0.0679 2.43 319 199.2 0.87 94 9.9799 85.84 13 513.79 19 0.0652 2.52 401 224.4 1.13 91 9.7924 52.34 14 515.40 25 0.0673 2.36 379 220.9 0.97 89 9.6696 47.91 15 536.40 25 0.0694 3.29 365 215.0 0.87 88 8.9770 42.31 16 538.73 10 0.0656 2.19 478 262.5 0.73 10511.8571 58.73 17 540.41 21 0.0678 2.60 435 236.5 0.77 9411.1671 52.04 18 549.15 16 0.0687 2.42 432 240.3 0.84 9810.8926 44.00 19 549.91 20 0.0676 2.64 430 241.1 0.97 9310.7926 64.58 20 550.94 23 0.0664 2.36 418 238.8 1.10 8112.1255107.29 Ave 484.36 20 0.0652 2.37 360 209.1 0.90 82 9.2127 52.58 +/- 58.85 5 0.0033 0.28 60 26.9 0.14 11 1.5968 17.52 Min 344.91 10 0.0570 1.82 232 150.1 0.73 64 5.6932 31.68 Max 550.94 27 0.0694 3.29 478 262.5 1.28 10512.1255107.29 Cut 1.50 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ARG 48 - QG ARG 108 3.72 17 1.99 2.63 + ++ ++++++++++ ++*+ peak 3691 H ARG 48 - QG ARG 408 H ARG 74 - QG ARG 108 H ARG 74 - QG ARG 408 HA LEU 86 - HB3 PRO 109 HA LEU 86 - HB3 PRO 409 HA PRO 98 - HB3 PRO 109 HA PRO 98 - HB3 PRO 409 HB3 PRO 109 - HA LEU 118 HA LEU 118 - HB3 PRO 409 Upper H LEU 62 - HB3 LEU 65 3.97 14 1.60 1.97 ++*+ + ++ +++ ++++ peak 757 H LEU 62 - HB3 LEU 365 H GLN 64 - HB3 LEU 365 HB3 LEU 65 - H LEU 93 H LEU 93 - HB3 LEU 365 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 HB3 LEU 62 - HD2 PRO 112 3.18 8 1.04 2.33 ++ ++++* + peak 3639 HB3 LEU 62 - HD2 PRO 412 HB3 LEU 65 - HD2 PRO 112 HB3 LEU 65 - HD2 PRO 412 QG1 VAL 77 - HD2 ARG 108 QG1 VAL 77 - HD2 ARG 408 QG2 VAL 77 - HD2 ARG 108 QG2 VAL 77 - HD2 ARG 408 Upper HA ARG 66 - HG13 ILE 100 4.26 7 1.27 2.38 + * + + + ++ peak 2598 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 HE ARG 44 - HD3 ARG 70 HE ARG 44 - HD3 ARG 370 Upper H LEU 68 - HA LEU 96 4.36 6 1.00 1.78 + + + + +* peak 1500 H LEU 68 - HA LEU 396 HA LEU 96 - H GLN 101 H GLN 101 - HA LEU 396 HA2 GLY 39 - HA HIS 51 HA HIS 51 - HA2 GLY 339 HA2 GLY 39 - HA PRO 97 HA PRO 97 - HA2 GLY 339 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 12 1.51 2.13 *+ + ++++ ++ ++ + peak 212 HB2 TRP 72 - HZ3 TRP 372 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 7 1.25 2.31 + ++* ++ + peak 214 HB3 TRP 72 - HZ3 TRP 372 Upper QG1 VAL 77 - HA ARG 108 3.40 6 1.15 2.05 + +*+ + + peak 2879 QG1 VAL 77 - HA ARG 408 QG2 VAL 77 - HA ARG 108 QG2 VAL 77 - HA ARG 408 QQG VAL 104 - HA GLN 107 HA ARG 108 - QD1 LEU 122 QD1 LEU 122 - HA ARG 408 HA ARG 108 - QD2 LEU 122 QD2 LEU 122 - HA ARG 408 QD LYS 80 - HG3 PRO 97 HG3 PRO 97 - QD LYS 380 QD LYS 80 - HG2 PRO 109 HG2 PRO 109 - QD LYS 380 Upper HB2 PRO 97 - HB ILE 100 3.85 11 1.21 1.82 ++ +*+ + + + + ++ peak 147 HB ILE 100 - HB2 PRO 397 HB2 PRO 97 - HG3 PRO 112 HG3 PRO 112 - HB2 PRO 397 H ARG 48 - HA ARG 108 HA ARG 108 - H ARG 348 Upper HB2 PRO 97 - HG13 ILE 100 4.39 6 1.23 2.08 + ++ * + + peak 1820 HG13 ILE 100 - HB2 PRO 397 HD3 ARG 44 - HG3 GLU 67 HG3 GLU 67 - HD3 ARG 344 HD3 ARG 44 - HB2 MET 83 HB2 MET 83 - HD3 ARG 344 Upper HB3 PRO 97 - HB ILE 100 3.89 10 1.11 1.99 ++ ++ + + *+++ peak 3456 HB3 PRO 97 - HB ILE 400 HB ILE 100 - HB2 GLN 101 HB2 GLN 101 - HB ILE 400 HG3 GLN 101 - HB ILE 400 Upper H GLY 110 - H GLU 114 3.18 8 1.02 2.16 ++ ++++* + peak 3639 H GLU 114 - H GLY 410 H GLY 110 - H LEU 118 H LEU 118 - H GLY 410 QG1 VAL 77 - HD2 ARG 108 QG1 VAL 77 - HD2 ARG 408 QG2 VAL 77 - HD2 ARG 108 QG2 VAL 77 - HD2 ARG 408 Upper HA2 GLY 110 - HB3 SER 111 3.88 6 1.27 1.57 + + + +* + peak 3722 HA2 GLY 110 - HB3 SER 411 Upper H ARG 348 - QG ARG 408 3.72 17 2.06 2.64 + ++ ++++++++++ ++*+ peak 3691 QG ARG 108 - H ARG 348 H ARG 374 - QG ARG 408 QG ARG 108 - H ARG 374 HA LEU 386 - HB3 PRO 409 HB3 PRO 109 - HA LEU 386 HA PRO 398 - HB3 PRO 409 HB3 PRO 109 - HA PRO 398 HB3 PRO 409 - HA LEU 418 HB3 PRO 109 - HA LEU 418 Upper H GLN 359 - HB3 LEU 362 3.61 7 1.32 1.99 +++ +++ * peak 2672 HB3 LEU 62 - H GLN 359 HB3 LEU 362 - H LEU 389 HB3 LEU 62 - H LEU 389 HB3 LEU 362 - H ALA 416 HB3 LEU 62 - H ALA 416 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 H LEU 362 - HB3 LEU 365 3.97 15 1.62 2.04 +++++ ++ +++ *++++ peak 757 HB3 LEU 65 - H LEU 362 HB3 LEU 65 - H GLN 364 HB3 LEU 365 - H LEU 393 HB3 LEU 65 - H LEU 393 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 HB3 LEU 362 - HD2 PRO 412 3.18 12 1.25 2.15 ++ +++++ *+++ + peak 3639 HD2 PRO 112 - HB3 LEU 362 HB3 LEU 365 - HD2 PRO 412 HD2 PRO 112 - HB3 LEU 365 QG1 VAL 377 - HD2 ARG 408 HD2 ARG 108 - QG1 VAL 377 QG2 VAL 377 - HD2 ARG 408 HD2 ARG 108 - QG2 VAL 377 Upper HA ARG 366 - HG13 ILE 400 4.26 10 1.36 2.22 * + + +++ +++ + peak 2598 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 HE ARG 344 - HD3 ARG 370 HD3 ARG 70 - HE ARG 344 Upper H LEU 368 - HA LEU 396 4.36 7 1.06 1.84 + *+ ++ ++ peak 1500 HA LEU 96 - H LEU 368 HA LEU 396 - H GLN 401 HA LEU 96 - H GLN 401 HA2 GLY 339 - HA HIS 351 HA2 GLY 39 - HA HIS 351 HA2 GLY 339 - HA PRO 397 HA2 GLY 39 - HA PRO 397 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 14 1.65 2.29 ++ ++ ++*+ ++++ + + peak 212 HZ3 TRP 72 - HB2 TRP 372 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 6 1.08 2.19 + + + *+ + peak 214 HZ3 TRP 72 - HB3 TRP 372 Upper QG1 VAL 377 - HA ARG 408 3.40 9 1.23 1.97 * +++ + + ++ + peak 2879 HA ARG 108 - QG1 VAL 377 QG2 VAL 377 - HA ARG 408 HA ARG 108 - QG2 VAL 377 QQG VAL 404 - HA GLN 407 HA ARG 408 - QD1 LEU 422 HA ARG 108 - QD1 LEU 422 HA ARG 408 - QD2 LEU 422 HA ARG 108 - QD2 LEU 422 QD LYS 380 - HG3 PRO 397 QD LYS 80 - HG3 PRO 397 QD LYS 380 - HG2 PRO 409 QD LYS 80 - HG2 PRO 409 Upper HB3 LEU 396 - HA GLN 401 3.50 6 0.64 1.97 + *+ ++ + peak 3679 HB3 LEU 96 - HA GLN 401 HA ARG 374 - HD2 PRO 409 HD2 PRO 109 - HA ARG 374 HA ALA 402 - HD2 PRO 409 HD2 PRO 109 - HA ALA 402 HD2 PRO 409 - HD2 PRO 412 HD2 PRO 109 - HD2 PRO 412 Upper HB2 PRO 397 - HB ILE 400 3.85 11 1.26 2.14 +++ ++*++ + ++ peak 147 HB2 PRO 97 - HB ILE 400 HB2 PRO 397 - HG3 PRO 412 HB2 PRO 97 - HG3 PRO 412 H ARG 348 - HA ARG 408 H ARG 48 - HA ARG 408 Upper HB2 PRO 397 - HG13 ILE 400 4.39 8 1.18 1.67 + + + +++ * + peak 1820 HB2 PRO 97 - HG13 ILE 400 HD3 ARG 344 - HG3 GLU 367 HD3 ARG 44 - HG3 GLU 367 HD3 ARG 344 - HB2 MET 383 HD3 ARG 44 - HB2 MET 383 Upper HB3 PRO 397 - HB ILE 400 3.89 7 1.05 2.03 *+++ + + + peak 3456 HB ILE 100 - HB3 PRO 397 HB ILE 400 - HB2 GLN 401 HB ILE 100 - HB2 GLN 401 HB ILE 100 - HG3 GLN 401 Upper H GLY 410 - H GLU 414 3.18 12 1.36 2.26 ++ *++++ ++++ + peak 3639 H GLY 110 - H GLU 414 H GLY 410 - H LEU 418 H GLY 110 - H LEU 418 QG1 VAL 377 - HD2 ARG 408 HD2 ARG 108 - QG1 VAL 377 QG2 VAL 377 - HD2 ARG 408 HD2 ARG 108 - QG2 VAL 377 Upper HA2 GLY 410 - HB3 SER 411 3.88 7 1.28 1.63 + + ++ +* + peak 3722 HB3 SER 111 - HA2 GLY 410 VdW HA2 GLY 39 - CD PRO 40 2.60 7 0.17 0.23 ++ + + *+ + VdW HB2 PHE 47 - HB3 LEU 68 2.00 15 0.27 0.52 ++++ + ++++*+++ ++ VdW CG PHE 47 - C PHE 47 2.90 17 0.22 0.25 ++++ + ++++*+++ ++++ VdW HZ PHE 47 - C LEU 87 2.50 8 0.18 0.46 + + +++ ++* VdW HZ PHE 47 - O LEU 87 2.30 6 0.12 0.57 + + + + *+ VdW N HIS 51 - CG HIS 51 2.85 8 0.14 0.21 +++ * + +++ VdW CD1 TYR 52 - C TYR 52 3.10 7 0.14 0.36 +++ ++ +* VdW HD1 TYR 52 - N GLU 53 2.45 6 0.11 0.38 +++ * ++ VdW CD2 TYR 52 - C TYR 52 3.10 8 0.13 0.36 ++ +* ++++ VdW OH TYR 52 - HD3 PRO 58 2.30 15 0.29 0.53 + + ++ +++*+++ ++++ VdW CG2 THR 56 - C THR 56 2.90 8 0.18 0.29 + ++*+ + ++ VdW HB3 PRO 58 - HZ PHE 92 2.00 6 0.14 0.53 * + + ++ + VdW N GLN 59 - NE2 GLN 59 2.90 10 0.21 0.57 ++ +++++ * ++ VdW H GLN 59 - CG GLN 59 2.55 6 0.11 0.31 + *+ + ++ VdW H GLN 59 - HG2 GLN 59 1.95 6 0.08 0.34 + ++ +*+ VdW H GLN 59 - HE21 GLN 59 1.90 6 0.15 0.66 ++ +*++ VdW NE2 GLN 59 - CB ALA 116 3.05 6 0.10 0.36 + + * +++ VdW CA LEU 62 - CD1 LEU 62 3.00 6 0.08 0.26 ++ + * + + VdW HB3 LEU 62 - CB PRO 112 2.60 6 0.13 0.55 + ++* + + VdW HB3 LEU 62 - HB2 PRO 112 2.00 9 0.18 0.54 + + + ++ + +* + VdW HG LEU 62 - C PRO 112 2.50 6 0.15 0.67 + ++ + * + VdW CD1 LEU 62 - O PRO 112 2.90 8 0.15 0.48 + *+++ ++ + VdW CD1 LEU 62 - CB ALA 116 3.20 9 0.14 0.36 + + ++ ++ + * + VdW CD2 LEU 62 - HA PRO 112 2.60 6 0.11 0.43 + + *+ + + VdW N GLN 64 - HG2 GLN 64 2.45 8 0.17 0.35 + * + ++ + ++ VdW H GLN 64 - CG GLN 64 2.55 10 0.21 0.40 +*+ +++ + + ++ VdW H GLN 64 - HG2 GLN 64 1.95 11 0.23 0.50 +++++ ++ + + * + VdW O GLN 64 - N LEU 68 2.75 6 0.11 0.33 + + + + + * VdW O GLN 64 - HB2 LEU 68 2.30 6 0.10 0.31 + + + ++ * VdW CD1 LEU 65 - HB2 PHE 92 2.60 6 0.12 0.37 +++ *+ + VdW O LEU 65 - SG CYS 69 3.10 6 0.17 0.89 + ++ *+ + VdW H ARG 66 - CG ARG 66 2.55 7 0.14 0.40 ++ *++ + + VdW HA ARG 66 - CG2 VAL 88 2.60 7 0.15 0.47 + + *+ ++ + VdW O ARG 66 - N ARG 70 2.75 6 0.15 0.49 ++ ++ +* VdW O ARG 66 - CB ARG 70 2.90 7 0.15 0.52 + + ++ ++* VdW O ARG 66 - HB3 ARG 70 2.30 6 0.12 0.42 + * ++++ VdW CG GLU 67 - C GLU 67 2.90 12 0.20 0.24 + ++ ++*+ + ++++ VdW O GLU 67 - CG GLN 71 2.90 7 0.11 0.30 + ++++* + VdW HA LEU 68 - CD1 LEU 68 2.60 6 0.10 0.44 + + ++* + VdW H CYS 69 - SG CYS 69 2.75 6 0.14 0.48 + ++ + *+ VdW O CYS 69 - N TRP 72 2.75 6 0.13 0.35 *+ + ++ + VdW CD ARG 70 - C ARG 70 3.10 9 0.18 0.44 ++ + ++ ++ + * VdW C ARG 70 - H TRP 72 2.45 9 0.17 0.34 + ++ + *++ + + VdW O ARG 70 - N ARG 74 2.75 7 0.12 0.42 + +*+ + + + VdW CG TRP 72 - C TRP 72 2.90 11 0.17 0.26 +++ *+++ ++ + + VdW CD1 TRP 72 - C TRP 72 3.10 13 0.36 0.76 +++ *+++ ++ ++++ VdW CD1 TRP 72 - O TRP 72 2.90 14 0.33 0.84 +++++++* ++ ++++ VdW HD1 TRP 72 - C TRP 72 2.50 7 0.20 0.79 + + *+ + ++ VdW HD1 TRP 72 - O TRP 72 2.30 14 0.47 1.08 ++++++++ *+ ++++ VdW CZ2 TRP 72 - CD1 LEU 87 3.20 6 0.11 0.41 ++ + + * + VdW CH2 TRP 72 - CG LEU 87 3.20 7 0.16 0.42 ++ * + + + + VdW CH2 TRP 72 - HG LEU 87 2.60 11 0.24 0.64 ++++ +* + + +++ VdW C LEU 73 - CD PRO 75 3.10 6 0.15 0.63 ++ ++ + * VdW C LEU 73 - HD3 PRO 75 2.50 6 0.15 0.82 ++ + + +* VdW N ARG 74 - CD PRO 75 3.05 10 0.32 0.72 + ++ ++ + ++*+ VdW N ARG 74 - HD2 PRO 75 2.45 6 0.15 0.70 +* ++ + + VdW N ARG 74 - HD3 PRO 75 2.45 7 0.12 0.35 ++ + ++*+ VdW CB ARG 78 - H SER 79 2.55 9 0.18 0.40 +*+ + + ++++ VdW H GLU 81 - CG GLU 81 2.55 6 0.08 0.29 +++ *++ VdW HB2 MET 83 - CE MET 83 2.60 7 0.15 0.50 + + + ++* + VdW HA LEU 84 - CD2 LEU 87 2.60 6 0.15 0.76 + ++ + + * VdW C LEU 84 - N LEU 86 2.95 9 0.20 0.45 + + + ++*+++ VdW C LEU 84 - H LEU 86 2.45 9 0.22 0.65 + + + +++*++ VdW O LEU 84 - N LEU 86 2.75 8 0.21 0.72 + + + ++*++ VdW O LEU 84 - N VAL 88 2.75 9 0.17 0.43 *++ + ++ + ++ VdW H LEU 86 - CG LEU 86 2.55 6 0.09 0.34 ++ ++*+ VdW HG LEU 86 - CD1 LEU 87 2.60 7 0.18 0.70 ++ ++ ++* VdW HG LEU 86 - HD11 LEU 87 2.00 6 0.09 0.34 + +*+ + + VdW N LEU 87 - CD1 LEU 87 3.05 11 0.27 0.60 ++ ++++ + +++* VdW N LEU 87 - CD2 LEU 87 3.05 7 0.15 0.49 + +*+ +++ VdW H LEU 87 - CD2 LEU 87 2.55 8 0.18 0.54 + ++ +++ * + VdW O LEU 87 - N GLN 91 2.75 13 0.26 0.60 +++ ++*++ ++++ + VdW O LEU 87 - CB GLN 91 2.90 6 0.11 0.33 +++ + + * VdW CG1 VAL 88 - HB3 PRO 112 2.60 10 0.22 0.53 + + + +*++ ++ + VdW O VAL 88 - N PHE 92 2.75 6 0.12 0.27 + ++* + + VdW O LEU 89 - HB2 LEU 93 2.30 7 0.14 0.58 + +* + +++ VdW HA LEU 93 - CD2 LEU 96 2.60 6 0.10 0.41 + * + + ++ VdW O LEU 93 - NE2 GLN 101 2.75 11 0.25 0.44 ++ + ++ ++ + *++ VdW CB LEU 96 - CD PRO 97 3.20 7 0.15 0.53 + + *+ + ++ VdW CB LEU 96 - HD2 PRO 97 2.60 7 0.19 0.64 + + *+ + ++ VdW CB LEU 96 - HB2 GLN 101 2.60 8 0.16 0.42 +++ + *+++ VdW HB2 LEU 96 - HD2 PRO 97 2.00 6 0.21 0.94 + + * + ++ VdW HB3 LEU 96 - HB2 GLN 101 2.00 8 0.17 0.76 *+ + + + ++ + VdW CD1 LEU 96 - CD PRO 97 3.20 6 0.11 0.38 + + + * ++ VdW CD1 LEU 96 - HD2 PRO 97 2.60 9 0.18 0.49 + ++ +++ + *+ VdW CG PRO 97 - HG12 ILE 100 2.60 8 0.10 0.26 + ++ + + +*+ VdW CG PRO 97 - CD1 ILE 100 3.20 7 0.13 0.37 + + + ++ *+ VdW HG2 PRO 97 - HB ILE 100 2.00 7 0.17 0.76 * + ++ + ++ VdW HG2 PRO 97 - CG2 ILE 100 2.60 13 0.24 0.46 ++ +++ + + ++ *+++ VdW HG2 PRO 97 - HG22 ILE 100 2.00 6 0.08 0.38 + + + *++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 10 0.17 0.38 ++ ++ ++ + *++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 9 0.19 0.47 ++ *+ + + +++ VdW HG2 PRO 97 - CD1 ILE 100 2.60 8 0.13 0.35 + +++ ++ *+ VdW O PRO 97 - N GLN 101 2.75 6 0.12 0.22 +* + ++ + VdW O PRO 97 - CB GLN 101 2.90 12 0.22 0.42 ++ ++++ + * ++++ VdW O PRO 97 - HB3 GLN 101 2.30 14 0.33 0.73 ++++++++ + + +++* VdW N ILE 100 - HG22 ILE 100 2.45 6 0.09 0.40 + + + *++ VdW CG1 ILE 100 - C ILE 100 2.90 13 0.18 0.33 ++ +++++ * + ++++ VdW CG1 ILE 100 - N GLN 101 3.05 13 0.25 0.51 ++ ++++* + + ++++ VdW HG12 ILE 100 - N GLN 101 2.45 6 0.11 0.27 + ++* + + VdW O ILE 100 - N ARG 103 2.75 10 0.22 0.48 + + * ++ +++++ VdW O ILE 100 - N VAL 104 2.75 6 0.17 0.47 + + + * ++ VdW O ILE 100 - H VAL 104 1.80 6 0.14 0.45 + + + * ++ VdW CB GLN 101 - HE21 GLN 101 2.55 6 0.13 0.34 +++ + * + VdW HB2 GLN 101 - HE21 GLN 101 1.95 6 0.10 0.43 +++ + + * VdW CG GLN 101 - N ALA 102 3.05 6 0.08 0.30 ++++* + VdW CG1 VAL 104 - C VAL 104 2.90 6 0.09 0.32 + *+++ + VdW HB2 PRO 109 - HB2 GLU 114 2.00 6 0.12 0.34 ++ + +* + VdW HB3 PRO 109 - HA ALA 115 2.00 6 0.15 0.34 + ++ *++ VdW HG3 PRO 109 - CB ALA 115 2.60 6 0.11 0.55 + +++ * + VdW O GLY 110 - CB SER 111 2.90 6 0.12 0.46 + ++++ * VdW CB SER 111 - CD PRO 112 3.20 17 0.35 0.57 + ++ +++ +++++++++*+ VdW CB SER 111 - HD2 PRO 112 2.60 18 0.44 0.67 + ++++++ +++++++++*+ VdW HB3 SER 111 - HD2 PRO 112 2.00 10 0.18 0.58 ++ + +++ ++*+ VdW OG SER 111 - HD2 PRO 112 2.30 7 0.16 0.46 + + ++ *+ + VdW O ALA 115 - HG LEU 118 2.30 7 0.12 0.34 + * + + +++ VdW H LEU 118 - CG LEU 118 2.55 15 0.24 0.35 +++++++++ *+ +++ + VdW H LEU 118 - HG LEU 118 1.95 13 0.21 0.46 ++*++++ + ++ ++ + VdW HA GLU 125 - CD PRO 126 2.60 7 0.13 0.29 + * + +++ + VdW HA ARG 344 - CZ3 TRP 372 2.60 9 0.15 0.53 + +++ + +*++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 13 0.23 0.46 ++ + +++ +*++++ + VdW CG PHE 347 - C PHE 347 2.90 13 0.20 0.25 +++ + +*++ ++ +++ VdW CD1 PHE 347 - C PHE 347 3.10 7 0.11 0.38 + ++ +* ++ VdW CZ PHE 347 - HB2 LEU 387 2.60 6 0.09 0.33 + +*+ + + VdW N HIS 351 - CG HIS 351 2.85 11 0.14 0.22 ++ ++ + +++ + *+ VdW HE1 TYR 352 - CD2 LEU 396 2.60 6 0.09 0.31 + + + + * + VdW CE2 TYR 352 - C GLY 357 3.10 6 0.12 0.36 + ++ + * + VdW HE2 TYR 352 - C GLY 357 2.50 6 0.11 0.23 ++++ +* VdW CD2 TYR 352 - C TYR 352 3.10 11 0.17 0.31 *+ + + ++ ++++ + VdW OH TYR 352 - HD3 PRO 358 2.30 16 0.28 0.48 + ++++++ +++ +* ++++ VdW CB PRO 358 - HZ PHE 392 2.60 7 0.15 0.39 + + + + +* + VdW HB3 PRO 358 - HZ PHE 392 2.00 10 0.18 0.45 + + ++ +++++ * VdW HD2 PRO 358 - HE22 GLN 359 1.95 7 0.12 0.39 + + ++ *+ + VdW O PRO 358 - CD2 LEU 362 2.90 8 0.16 0.44 ++++++ + * VdW N GLN 359 - NE2 GLN 359 2.90 11 0.25 0.64 ++ ++*++ +++ + VdW H GLN 359 - CG GLN 359 2.55 6 0.10 0.32 + + + + +* VdW H GLN 359 - HE21 GLN 359 1.90 8 0.15 0.47 ++ ++ ++* + VdW HA GLN 359 - CD2 LEU 362 2.60 6 0.10 0.40 ++ +*+ + VdW O ALA 361 - CD1 LEU 365 2.90 6 0.09 0.30 + + + + + * VdW CB LEU 362 - HB2 PRO 412 2.60 7 0.16 0.51 ++ *++ + + VdW HB3 LEU 362 - HB2 PRO 412 2.00 12 0.29 0.66 ++ +++++ ++++ * VdW CG LEU 362 - HB2 PRO 412 2.60 8 0.17 0.49 + +*++++ + VdW HG LEU 362 - C PRO 412 2.50 8 0.21 0.61 + ++ +*+ + + VdW HG LEU 362 - O PRO 412 2.30 7 0.17 0.74 ++ +++ + * VdW CD1 LEU 362 - O PRO 412 2.90 7 0.19 0.69 + +++* + + VdW CD1 LEU 362 - CB ALA 416 3.20 8 0.14 0.46 + ++*++ + + VdW H GLN 364 - CG GLN 364 2.55 10 0.17 0.34 +++ * + ++ ++ + VdW H GLN 364 - HG2 GLN 364 1.95 15 0.24 0.50 ++++++++++ +*++ + VdW O LEU 365 - SG CYS 369 3.10 9 0.19 0.72 * ++ +++ + + + VdW H ARG 366 - CG ARG 366 2.55 9 0.17 0.41 * + + + ++ ++ + VdW HA ARG 366 - SG CYS 369 2.80 7 0.14 0.39 + ++ ++ * + VdW O ARG 366 - N ARG 370 2.75 11 0.22 0.64 +++ ++++ +++* VdW O ARG 366 - H ARG 370 1.80 6 0.12 0.43 +++ ++* VdW O ARG 366 - CB ARG 370 2.90 9 0.17 0.46 + +++ + +++* VdW CG GLU 367 - C GLU 367 2.90 12 0.21 0.24 ++ ++++++ ++ +* VdW HA LEU 368 - CD1 LEU 368 2.60 6 0.12 0.47 + + +* + + VdW CD ARG 370 - C ARG 370 3.10 6 0.15 0.43 + * + + + + VdW O ARG 370 - N ARG 374 2.75 6 0.11 0.37 ++ *+ + + VdW CG TRP 372 - C TRP 372 2.90 13 0.19 0.25 ++ + +++ + ++++ + * VdW CD1 TRP 372 - C TRP 372 3.10 15 0.38 0.70 ++++ *++ ++++ ++++ VdW CD1 TRP 372 - O TRP 372 2.90 12 0.25 0.66 ++ + + + + ++ +*++ VdW HD1 TRP 372 - C TRP 372 2.50 6 0.17 0.66 + ++ * + + VdW HD1 TRP 372 - O TRP 372 2.30 14 0.38 0.84 ++++ +++ +++ +*++ VdW CZ2 TRP 372 - CD1 LEU 387 3.20 7 0.14 0.47 + + ++* + + VdW CH2 TRP 372 - CG LEU 387 3.20 9 0.18 0.45 + + +++ +* + + VdW CH2 TRP 372 - HG LEU 387 2.60 10 0.25 0.75 + ++ +++ +* ++ VdW CH2 TRP 372 - CD1 LEU 387 3.20 6 0.13 0.45 + +++ + * VdW HB2 LEU 373 - H ARG 374 1.95 6 0.09 0.47 ++ ++*+ VdW C LEU 373 - CD PRO 375 3.10 8 0.20 0.68 ++ *+ + + ++ VdW C LEU 373 - HD2 PRO 375 2.50 6 0.17 0.93 ++* ++ + VdW C LEU 373 - HD3 PRO 375 2.50 6 0.14 0.83 +* + + ++ VdW N ARG 374 - CD PRO 375 3.05 12 0.34 0.78 +++++*+ + ++++ VdW N ARG 374 - HD2 PRO 375 2.45 6 0.19 0.70 ++* ++ + VdW CB ARG 378 - H SER 379 2.55 9 0.16 0.40 +++ ++ + +*+ VdW N MET 383 - HG3 MET 383 2.45 7 0.11 0.39 + +* + + + + VdW HB2 MET 383 - CE MET 383 2.60 7 0.13 0.59 + ++ *++ + VdW C MET 383 - CD2 LEU 386 3.10 6 0.12 0.43 + + * +++ VdW O MET 383 - N LEU 386 2.75 6 0.11 0.52 + + +* ++ VdW O MET 383 - CD2 LEU 386 2.90 8 0.21 0.72 + + + +*++ + VdW N LEU 384 - CD1 LEU 384 3.05 6 0.10 0.34 ++ ++ + * VdW HA LEU 384 - CD2 LEU 387 2.60 9 0.21 0.61 + + + + +* ++ + VdW C LEU 384 - N LEU 386 2.95 9 0.21 0.49 + ++ + + +*++ VdW C LEU 384 - H LEU 386 2.45 11 0.25 0.76 + + +++ ++ ++*+ VdW O LEU 384 - N LEU 386 2.75 8 0.22 0.77 ++ + + +*++ VdW O LEU 384 - N VAL 388 2.75 7 0.15 0.42 * + ++ + + + VdW HG LEU 386 - CD1 LEU 387 2.60 6 0.11 0.38 + + + + + * VdW N LEU 387 - CD1 LEU 387 3.05 11 0.26 0.56 + ++ ++* + +++ + VdW H LEU 387 - CD2 LEU 387 2.55 7 0.17 0.49 + ++ + *++ VdW O LEU 387 - N GLN 391 2.75 13 0.31 0.67 ++++ +++ + ++*+ + VdW O LEU 387 - H GLN 391 1.80 8 0.15 0.43 ++ +* + + ++ VdW CG1 VAL 388 - HB3 PRO 412 2.60 9 0.18 0.55 + + * + ++++ + VdW O VAL 388 - H PHE 392 1.80 6 0.10 0.30 + + ++ *+ VdW O LEU 393 - NE2 GLN 401 2.75 17 0.30 0.54 ++++++ +++ *+++ ++++ VdW CB LEU 396 - CD PRO 397 3.20 8 0.15 0.52 + +* +++++ VdW CB LEU 396 - HD2 PRO 397 2.60 8 0.20 0.62 + +* +++++ VdW HB2 LEU 396 - CD PRO 397 2.60 7 0.15 0.71 + +* +++ + VdW HB2 LEU 396 - HD2 PRO 397 2.00 8 0.25 0.94 + +* +++++ VdW HB3 LEU 396 - HB2 GLN 401 2.00 7 0.11 0.41 ++ + *+ + + VdW CD1 LEU 396 - CD PRO 397 3.20 8 0.13 0.40 + ++ ++*++ VdW CD1 LEU 396 - HD2 PRO 397 2.60 8 0.19 0.53 + ++ ++*++ VdW CD1 LEU 396 - HB ILE 400 2.60 6 0.09 0.41 ++ +++ * VdW CG PRO 397 - HG12 ILE 400 2.60 7 0.09 0.29 + ++ ++ + * VdW CG PRO 397 - CD1 ILE 400 3.20 8 0.17 0.59 * +++ ++ + + VdW HG2 PRO 397 - HB ILE 400 2.00 7 0.17 0.70 +++ ++* + VdW HG2 PRO 397 - CG2 ILE 400 2.60 9 0.17 0.46 *++ ++ + + ++ VdW HG2 PRO 397 - CG1 ILE 400 2.60 12 0.20 0.39 +++++++* ++ + + VdW HG2 PRO 397 - HG12 ILE 400 2.00 9 0.19 0.48 + +++ +* + + + VdW HG2 PRO 397 - CD1 ILE 400 2.60 8 0.15 0.72 + + * ++ ++ + VdW O PRO 397 - N GLN 401 2.75 6 0.13 0.24 +++ + + * VdW O PRO 397 - CB GLN 401 2.90 12 0.22 0.48 ++*++ ++ ++ + ++ VdW O PRO 397 - HB3 GLN 401 2.30 14 0.31 0.65 *++++++++ ++ + ++ VdW CG1 ILE 400 - C ILE 400 2.90 12 0.17 0.33 ++++++ ++ + + +* VdW CG1 ILE 400 - N GLN 401 3.05 13 0.27 0.62 ++++++*++ + + ++ VdW HG12 ILE 400 - N GLN 401 2.45 9 0.13 0.31 +++*++ + + + VdW HG12 ILE 400 - H GLN 401 1.95 8 0.13 0.37 +*++++ + + VdW O ILE 400 - C GLN 401 2.80 8 0.18 0.34 + +++++* + VdW O ILE 400 - N ARG 403 2.75 14 0.28 0.52 ++ + ++*+++++ +++ VdW O ILE 400 - N VAL 404 2.75 9 0.21 0.54 + ++++ *++ + VdW O ILE 400 - H VAL 404 1.80 9 0.19 0.52 + ++++ *++ + VdW CB GLN 401 - HE21 GLN 401 2.55 6 0.11 0.34 ++++ + * VdW HB2 GLN 401 - HE21 GLN 401 1.95 7 0.10 0.28 * + +++ + + VdW CG1 VAL 404 - C VAL 404 2.90 9 0.12 0.33 + +++++ + * + VdW CG1 VAL 404 - N GLN 405 3.05 6 0.14 0.39 +++*+ + VdW HB2 PRO 409 - HB2 GLU 414 2.00 8 0.14 0.33 + *++ + + + + VdW HB3 PRO 409 - HA ALA 415 2.00 7 0.15 0.36 + * + ++++ VdW HG2 PRO 409 - H GLY 410 1.95 9 0.14 0.29 + + +++ + + + * VdW HD3 PRO 409 - CD1 LEU 418 2.60 8 0.14 0.36 + + + + +++ * VdW O GLY 410 - CB SER 411 2.90 7 0.12 0.35 + ++ +++ * VdW CB SER 411 - CD PRO 412 3.20 17 0.37 0.81 + ++ +++ ++*++++++++ VdW CB SER 411 - HD2 PRO 412 2.60 18 0.46 0.87 + ++++++ ++*++++++++ VdW HB3 SER 411 - HD2 PRO 412 2.00 10 0.19 0.54 + ++* ++++++ VdW OG SER 411 - HD2 PRO 412 2.30 10 0.20 0.72 + + +++ + + +* + VdW O ALA 415 - HG LEU 418 2.30 8 0.17 0.49 + + + ++*++ VdW H LEU 418 - CG LEU 418 2.55 18 0.28 0.35 +* +++++++ +++++++++ VdW H LEU 418 - HG LEU 418 1.95 17 0.26 0.52 ++ +++++*+ ++++ ++++ VdW H VAL 419 - CG2 VAL 419 2.55 7 0.11 0.41 + ++++ * + VdW HA GLU 425 - CD PRO 426 2.60 7 0.13 0.31 + + * +++ + Angle PSI ARG 44 -54.00 -34.00 13 7.43 33.52 + +* + ++++ + ++++ Angle PHI LEU 45 -72.00 -52.00 15 8.41 21.57 ++++*+++ + + ++++ + Angle PHI PHE 47 -74.00 -54.00 6 3.41 12.40 + + ++ +* Angle PSI CYS 49 -51.00 -5.00 17 8.42 16.47 + ++ ++++++++ ++++*+ Angle PSI PHE 50 120.00 140.00 7 3.58 9.92 * + ++ + + + Angle PSI THR 56 -15.00 15.00 6 3.72 17.84 ++ + * ++ Angle PSI PRO 58 -41.00 -31.00 10 7.15 23.78 + ++ ++ + ++*+ Angle PHI GLN 59 -77.00 -57.00 8 4.14 14.71 + + + + ++*+ Angle PSI ALA 61 -53.00 -33.00 6 3.75 16.09 +* + + + + Angle PHI LEU 62 -71.00 -51.00 10 7.10 31.08 + +* + + ++++ + Angle PHI ALA 63 -76.00 -56.00 14 9.02 16.80 +++ + ++ ++++ +++* Angle PHI GLN 64 -78.00 -58.00 12 7.81 22.17 + ++ +++++++* + Angle PSI LEU 65 -52.00 -32.00 8 4.08 19.65 +++ + +*+ + Angle PSI ARG 66 -50.00 -30.00 9 5.87 22.78 + ++ ++ * +++ Angle PHI GLU 67 -79.00 -59.00 9 5.10 19.43 + + + +++++* Angle PSI LEU 68 -52.00 -32.00 6 3.76 13.82 ++ ++ +* Angle PHI CYS 69 -76.00 -56.00 11 7.61 21.26 ++ +++ + ++*++ Angle PHI ARG 70 -73.00 -53.00 14 8.30 14.87 + +++++++ ++*+++ Angle PHI GLN 71 -76.00 -56.00 9 5.00 11.79 + + ++ +++ +* Angle PHI GLU 76 -78.00 -58.00 13 17.11 52.44 + + ++++++++++* Angle PSI GLU 76 -40.00 -6.00 12 14.44 42.24 *+++++++ ++++ Angle PHI VAL 77 -118.00 -86.00 10 12.24 45.25 + * ++ ++++++ Angle PSI VAL 77 -29.00 -5.00 7 6.91 42.95 + ++ *+ + + Angle PSI SER 79 155.00 175.00 11 9.41 37.50 ++ ++ ++++ * ++ Angle PHI LYS 80 -69.00 -49.00 12 11.99 45.00 ++ + ++ + +*++++ Angle PSI LYS 80 -48.00 -28.00 13 11.67 27.20 *+++++ + + + ++++ Angle PHI GLU 81 -73.00 -53.00 10 10.29 38.93 ++ + *+ ++ + + + Angle PSI GLU 81 -50.00 -30.00 12 11.52 46.58 + ++ ++++ +*+++ Angle PHI GLN 82 -76.00 -56.00 11 10.66 44.45 +++ + + +* ++++ Angle PSI GLN 82 -48.00 -28.00 11 8.48 38.93 + + +*++ + ++++ Angle PHI MET 83 -75.00 -55.00 16 15.05 32.25 + ++++++ + +++ +*+++ Angle PSI MET 83 -52.00 -32.00 13 19.57 58.73 ++++ + ++ + *++++ Angle PHI LEU 84 -73.00 -53.00 15 16.09 107.29 + +++ + +++++ ++++* Angle PSI LEU 84 -52.00 -32.00 8 4.90 17.76 +* + + +++ + Angle PHI GLU 85 -75.00 -55.00 16 9.71 26.68 +++ + ++ ++++ ++*+++ Angle PSI GLU 85 -54.00 -34.00 19 13.72 32.39 ++++++++++ ++++++*++ Angle PHI LEU 87 -77.00 -57.00 20 31.35 53.45 ++++++*+++++++++++++ Angle PSI LEU 87 -51.00 -31.00 6 2.80 16.07 + + ++ + * Angle PHI VAL 88 -78.00 -58.00 14 7.76 15.60 ++++++*+++++ + + Angle PSI VAL 88 -55.00 -35.00 16 13.88 26.40 + ++ +*++++ +++ ++++ Angle PSI GLU 90 -52.00 -32.00 9 5.37 21.17 ++ + + + ++ * + Angle PHI GLN 91 -74.00 -54.00 19 11.80 20.07 ++++ ++++++++++++*++ Angle PSI GLN 91 -46.00 -26.00 19 13.76 31.98 ++++++++ ++++++*++++ Angle PHI PHE 92 -74.00 -54.00 8 4.08 14.19 *+ +++++ + Angle PSI PRO 98 -46.00 -28.00 16 10.54 17.54 ++++++ + +++++*+++ Angle PHI GLU 99 -76.00 -56.00 12 8.56 16.03 +++++ + *+ ++++ Angle PHI ILE 100 -73.00 -53.00 20 25.33 36.40 ++++++++++++++*+++++ Angle PSI ILE 100 -52.00 -32.00 7 3.45 13.96 + + +* + ++ Angle PHI GLN 101 -71.00 -51.00 13 9.86 23.78 +++ + * ++++++++ Angle PSI GLN 101 -51.00 -31.00 7 5.26 18.84 + * +++ ++ Angle PHI ALA 102 -72.00 -52.00 9 3.84 10.02 * + ++++ + + + Angle PHI ARG 103 -73.00 -53.00 19 15.10 24.89 +++++++*++++++++++ + Angle PHI VAL 104 -77.00 -57.00 8 3.53 7.99 + + + ++ + * + Angle PSI GLY 106 -40.00 -6.00 6 3.47 15.50 + ++ * + + Angle PHI GLY 110 58.00 92.00 11 13.31 36.10 + + +++*+ +++ + Angle PSI PRO 112 -44.00 -28.00 12 8.65 25.94 + ++ +++++ ++*+ Angle PHI GLU 113 -75.00 -55.00 6 5.05 22.10 + + *+ + + Angle PHI GLU 114 -74.00 -54.00 7 3.78 15.21 + ++++ + * Angle PSI VAL 119 -53.00 -33.00 19 10.47 15.28 ++++++*++++++++ ++++ Angle PSI ASP 120 -52.00 -32.00 13 5.66 10.38 +++++ + ++ *+++ + Angle PSI ARG 344 -54.00 -34.00 12 7.73 27.73 + ++* ++++ +++ + Angle PHI LEU 345 -72.00 -52.00 13 8.43 19.58 ++ +*++ + ++++ ++ Angle PSI CYS 349 -51.00 -5.00 14 7.99 16.69 + +++ + ++++*++++ Angle PSI ALA 355 -50.00 -30.00 7 3.46 14.39 + + +++ * + Angle PSI PRO 358 -41.00 -31.00 12 7.33 33.58 + +++++ ++ * +++ Angle PHI GLN 359 -77.00 -57.00 8 4.80 15.56 + *+++ + ++ Angle PHI ALA 363 -76.00 -56.00 18 11.20 16.86 ++++ ++*+++++++ ++++ Angle PHI GLN 364 -78.00 -58.00 16 9.01 24.36 +++ +++++ ++++++*+ Angle PSI LEU 365 -52.00 -32.00 6 5.55 26.39 ++ + +*+ Angle PSI ARG 366 -50.00 -30.00 7 2.99 16.71 + +++ + *+ Angle PHI CYS 369 -76.00 -56.00 9 5.50 18.86 + + + + + +++* Angle PHI ARG 370 -73.00 -53.00 11 6.43 15.26 + +++ + ++++*+ Angle PHI GLN 371 -76.00 -56.00 11 7.31 17.24 +++ ++ *++ + ++ Angle PHI GLU 376 -78.00 -58.00 10 10.07 36.06 + + ++ ++ +++* Angle PSI GLU 376 -40.00 -6.00 8 9.26 40.37 *+++ ++ ++ Angle PHI VAL 377 -118.00 -86.00 9 10.00 44.79 * +++ + ++++ Angle PHI SER 379 -113.00 -71.00 9 5.11 21.71 + +++ +*+ + + Angle PSI SER 379 155.00 175.00 8 8.96 39.71 ++ + ++ * + + Angle PHI LYS 380 -69.00 -49.00 10 9.78 44.82 ++ ++ ++ + * ++ Angle PSI LYS 380 -48.00 -28.00 15 13.92 33.39 ++++++++ +++ ++*+ Angle PHI GLU 381 -73.00 -53.00 11 11.12 42.93 + ++ *+ +++ + ++ Angle PSI GLU 381 -50.00 -30.00 13 11.69 49.86 + +++ + ++++++*+ Angle PHI GLN 382 -76.00 -56.00 6 4.94 21.52 + + + ++ * Angle PSI GLN 382 -48.00 -28.00 11 6.12 28.16 + +++ + * +++ ++ Angle PHI MET 383 -75.00 -55.00 13 11.31 36.80 + ++++++ ++ +*++ Angle PSI MET 383 -52.00 -32.00 15 16.73 64.58 +++ + ++++++++++* Angle PHI LEU 384 -73.00 -53.00 16 15.70 58.48 ++++++ ++ *+++ ++++ Angle PSI LEU 384 -52.00 -32.00 9 4.67 20.67 ++++*++ ++ Angle PHI GLU 385 -75.00 -55.00 15 8.17 23.81 +++ +++++++ +*+++ Angle PSI GLU 385 -54.00 -34.00 19 15.75 37.59 +++++++++++++ +++*++ Angle PSI LEU 386 -51.00 -31.00 6 4.40 20.19 * + + + ++ Angle PHI LEU 387 -77.00 -57.00 20 31.85 53.98 +++++++++++*++++++++ Angle PSI LEU 387 -51.00 -31.00 8 4.68 18.87 + ++ + + ++ * Angle PHI VAL 388 -78.00 -58.00 15 10.53 23.68 +++++++++++++* + Angle PSI VAL 388 -55.00 -35.00 17 13.41 23.65 + ++++ +* ++++++++++ Angle PHI GLU 390 -73.00 -53.00 6 3.99 20.83 + + + * + + Angle PSI GLU 390 -52.00 -32.00 10 6.11 13.91 + + + + ++++* + Angle PHI GLN 391 -74.00 -54.00 17 11.06 22.00 + ++ ++++ +++++*++++ Angle PSI GLN 391 -46.00 -26.00 19 12.46 23.01 ++++++++ ++++++*++++ Angle PHI GLY 394 -80.00 -56.00 7 3.87 18.40 + +* ++++ Angle PSI PRO 398 -46.00 -28.00 16 10.70 18.31 +++ ++++* ++++ + +++ Angle PHI GLU 399 -76.00 -56.00 13 8.80 17.80 +++ ++++* ++ + ++ Angle PHI ILE 400 -73.00 -53.00 20 25.97 32.47 +++++++++++++++++++* Angle PSI ILE 400 -52.00 -32.00 7 3.46 20.01 * +++ +++ Angle PHI GLN 401 -71.00 -51.00 16 11.92 24.88 ++++ + ++++++*+++ + Angle PHI ARG 403 -73.00 -53.00 19 14.22 27.49 ++++++*++++++++++ ++ Angle PHI VAL 404 -77.00 -57.00 6 2.52 7.14 + + + +* + Angle PSI GLN 405 -52.00 -30.00 6 4.45 13.57 + * + +++ Angle PHI GLY 406 -79.00 -59.00 6 2.65 7.37 + + + +* + Angle PHI GLY 410 58.00 92.00 14 19.71 85.84 +++ +++++ *++++ + Angle PSI PRO 412 -44.00 -28.00 7 5.14 18.60 + ++ +++* Angle PSI VAL 419 -53.00 -33.00 19 12.22 18.99 ++++++*++++++++ ++++ Angle PSI ASP 420 -52.00 -32.00 14 6.46 11.21 +++++++++ +++ * + 28 violated distance constraints. 113 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 2.34 +/- 1.70 A (1.38..9.37 A; 20 structures) Average heavy atom RMSD to mean : 2.89 +/- 1.70 A (1.91..9.96 A; 20 structures)