Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 701.90 482 0.1631 4.67 676 351.0 0.96 12014.9439 80.57 2 704.10 524 0.1633 4.66 689 355.2 0.94 11814.6935 68.11 3 706.69 539 0.1620 4.50 692 361.0 0.94 12314.8484 76.28 4 706.77 514 0.1632 4.62 670 348.5 1.01 11715.1498 74.69 5 708.89 534 0.1644 4.75 686 355.6 0.97 11014.8540 73.44 6 711.03 524 0.1620 4.64 720 370.4 1.00 11514.0259 64.52 7 711.72 518 0.1651 4.78 691 363.0 0.93 11914.6061 76.32 8 712.52 511 0.1605 4.57 729 371.4 0.96 11714.9377 67.33 9 712.61 488 0.1622 4.52 723 365.0 0.94 12315.2582 79.62 10 712.98 536 0.1633 4.67 705 364.4 1.03 11814.6068 52.35 11 713.33 524 0.1628 4.45 700 365.6 0.96 12414.9653 70.65 12 713.82 510 0.1638 4.51 673 357.8 1.19 11714.3033 57.88 13 714.20 512 0.1642 4.50 695 362.8 1.02 11614.7983 71.54 14 716.32 506 0.1626 4.57 700 372.3 0.96 11014.5036 67.45 15 717.53 503 0.1662 4.75 680 360.3 0.93 11614.2578 62.17 16 717.59 519 0.1596 4.42 707 373.1 0.93 12115.3790 75.03 17 718.07 509 0.1626 4.59 697 370.0 0.99 11614.7338 57.24 18 719.35 525 0.1671 4.88 668 357.8 1.01 12314.1973 74.69 19 719.79 505 0.1621 4.52 689 367.5 0.98 11115.1218 68.43 20 720.08 569 0.1653 4.54 694 364.8 1.20 12514.2885 60.64 Ave 712.96 518 0.1633 4.61 694 362.9 0.99 11814.7236 68.95 +/- 5.10 18 0.0017 0.12 17 6.8 0.07 4 0.3654 7.63 Min 701.90 482 0.1596 4.42 668 348.5 0.93 11014.0259 52.35 Max 720.08 569 0.1671 4.88 729 373.1 1.20 12515.3790 80.57 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - HB3 TRP 72 4.41 17 0.44 0.90 +++++ +++++++ ++++* peak 2633 Upper H ARG 44 - HD1 TRP 72 4.65 7 0.08 0.30 + * +++ ++ peak 54 Upper HG2 ARG 44 - H LEU 45 5.15 7 0.07 0.21 + + ++ *+ + peak 1850 Upper HG3 ARG 44 - HZ2 TRP 72 4.31 6 0.05 0.18 + + +*+ + peak 199 Upper H LEU 45 - HG LEU 45 4.04 7 0.07 0.19 + * +++++ peak 686 Upper HA LEU 45 - QD PHE 47 5.03 11 0.12 0.30 + ++ ++ + *++++ peak 103 QD PHE 47 - HA ARG 66 Upper QB ARG 46 - QD2 LEU 68 3.67 7 0.08 0.25 + + + + + + * peak 2505 Upper HB2 PHE 47 - QD1 LEU 68 3.94 8 0.11 0.58 + + + + + * + + peak 2484 Upper QD PHE 47 - QD1 LEU 65 4.44 20 0.57 0.86 ++++++++++++++++++*+ peak 304 Upper QD PHE 47 - QD2 LEU 65 4.60 10 0.16 0.63 +++ ++*+ + + + peak 2404 Upper QD PHE 47 - H ARG 70 5.50 9 0.15 0.60 + + ++++*++ peak 97 Upper QE PHE 47 - QG2 VAL 88 3.88 13 0.19 0.49 ++ +*+++ ++ + +++ peak 316 Upper QE PHE 47 - H GLU 90 5.47 6 0.08 0.45 +* + + + + peak 402 Upper HZ PHE 47 - HE ARG 48 5.12 6 0.09 0.45 + +++ * + peak 1346 Upper HZ PHE 47 - QD1 LEU 65 4.03 14 0.40 1.02 ++ +++ +*+ ++ ++++ peak 292 Upper HZ PHE 47 - QD2 LEU 65 4.17 15 0.61 1.58 ++++ +++++++ +++ * peak 291 Upper HB2 PHE 50 - QD2 LEU 65 4.38 15 0.63 1.28 +++++++++ ++ ++* + peak 2014 Upper HB2 PHE 50 - QD1 LEU 68 5.45 11 0.13 0.37 ++++* ++ ++ + + peak 2013 Upper HB2 PHE 50 - QB ALA 95 4.96 20 0.43 0.73 ++++*+++++++++++++++ peak 2012 Upper HB3 PHE 50 - QD1 LEU 65 5.50 8 0.18 0.71 + ++++ + + * peak 2010 Upper HB3 PHE 50 - QD2 LEU 65 4.60 17 0.67 1.36 +++++++++++++ ++* + peak 2011 Upper QD PHE 50 - QD2 LEU 65 3.32 17 0.71 1.43 +++++++++++*+ +++ + peak 281 Upper QD PHE 50 - QD1 LEU 68 4.57 12 0.21 0.62 ++++ *+++ ++ + + peak 2510 Upper QD PHE 50 - HA PHE 92 5.47 8 0.08 0.27 ++* ++ + + + peak 3240 Upper QD PHE 50 - QB ALA 395 3.02 20 4.54 4.88 +++++++++++++++++*++ peak 8165 Upper QE PHE 50 - QG GLU 53 5.50 20 1.02 1.35 +++++++++++++++++*++ peak 2090 Upper QE PHE 50 - HA ALA 61 3.61 13 0.18 0.51 +++ +++ ++++* ++ peak 71 Upper QE PHE 50 - HG LEU 65 4.06 18 0.49 1.73 + +++++++++++++++ +* peak 270 Upper QE PHE 50 - QD1 LEU 65 3.99 17 0.91 1.52 +++* +++++++++++ ++ peak 271 Upper QE PHE 50 - QD2 LEU 65 4.63 13 0.42 0.98 ++ + ++ +++++* + + peak 272 Upper QE PHE 50 - QB ALA 395 3.34 20 3.82 4.05 ++++++*+++++++++++++ peak 8164 Upper H HIS 51 - QB ALA 95 5.50 20 0.47 0.62 ++++*+++++++++++++++ peak 787 Upper HB3 HIS 51 - QB ALA 95 5.50 9 0.11 0.36 ++ + + + ++* + peak 2046 Upper H TYR 52 - HG LEU 96 5.22 10 0.62 1.47 + +++ ++* +++ peak 793 Upper HA TYR 52 - QB ALA 95 4.53 10 0.09 0.17 + + + + +++*++ peak 1717 Upper QB TYR 52 - HE21 GLN 359 5.50 20 0.34 0.52 ++++++++++++++*+++++ peak 847 Upper QB TYR 52 - QB ALA 395 4.18 20 1.23 1.49 +++++++++++++++++*++ peak 2059 Upper QB TYR 52 - QD2 LEU 396 4.18 20 1.52 1.63 ++++++++++*+++++++++ peak 8179 Upper QD TYR 52 - QG GLU 54 5.48 6 0.08 0.15 + + + + *+ peak 2191 Upper QD TYR 52 - HB THR 56 3.66 15 0.27 1.38 + ++++ *+ +++++++ + peak 44 Upper QD TYR 52 - HG2 PRO 58 3.73 9 0.17 0.60 + * ++ ++ +++ peak 243 HG2 PRO 58 - QD TYR 352 Upper QD TYR 52 - QD1 LEU 96 5.13 20 0.49 0.64 +++++++*++++++++++++ peak 251 Upper QD TYR 52 - QD1 ILE 100 4.15 10 0.09 0.20 ++ *++ ++ ++ + peak 249 Upper QD TYR 52 - QB ALA 395 3.68 20 1.54 1.72 ++++++++++++++*+++++ peak 8175 Upper QD TYR 52 - QD2 LEU 396 3.70 20 1.25 1.39 ++++++++++*+++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.11 20 1.31 1.45 +++++++++++*++++++++ peak 8115 Upper QE TYR 52 - QG GLU 54 3.92 20 0.34 0.48 +*++++++++++++++++++ peak 2190 Upper QE TYR 52 - QG2 THR 56 4.77 17 0.54 0.82 ++* ++++ ++++++++ ++ peak 1769 Upper QE TYR 52 - QD2 LEU 96 3.85 20 0.32 0.51 +++++++*++++++++++++ peak 240 Upper QE TYR 52 - HG2 PRO 97 5.02 8 0.09 0.26 + +++ +* + + peak 3429 Upper QE TYR 52 - QD1 ILE 100 3.84 9 0.09 0.24 +* + ++++ + + peak 237 Upper QE TYR 52 - QB ALA 395 4.34 20 1.54 1.76 ++++++++++++++*+++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.90 20 0.31 0.47 ++*+++++++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.73 19 0.17 0.36 ++++ ++++++*++++++++ peak 8114 Upper QE TYR 52 - QG2 VAL 419 3.65 7 0.07 0.25 ++ + +++* peak 8189 Upper QG GLU 53 - HD2 PRO 97 5.50 20 0.76 1.05 ++++++++++++++++++*+ peak 2085 Upper H ALA 55 - QG2 THR 56 5.32 16 0.15 0.26 +++ +*++ ++++++ + ++ peak 812 Upper HB THR 56 - HG2 GLU 60 5.27 18 0.57 1.03 ++++++ ++++++++*+ ++ peak 2104 Upper HB THR 56 - HG3 GLU 60 4.34 19 0.39 1.31 +++ +++++++++++*++++ peak 2105 Upper QG2 THR 56 - HD3 PRO 58 5.50 8 0.11 0.38 + ++ *+ + ++ peak 1764 Upper QG2 THR 56 - H LEU 62 5.50 10 0.25 0.74 + ++ ++++ + +* peak 1774 Upper QG2 THR 56 - HE21 GLN 64 4.79 19 0.44 0.81 +++++++++++++++*++ + peak 919 Upper H GLY 57 - HG3 GLU 60 4.75 20 0.86 1.32 +++++++++++++++*++++ peak 824 Upper HA2 GLY 57 - HE21 GLN 59 5.32 19 0.42 0.73 ++++++++++++*++++ ++ peak 845 Upper HA PRO 58 - H LEU 62 4.82 17 0.36 0.65 + ++++++* +++++++ ++ peak 875 Upper HA PRO 58 - HZ PHE 92 4.37 20 1.33 1.52 +++++*++++++++++++++ peak 116 Upper HB2 PRO 58 - HZ PHE 92 3.63 20 1.74 1.96 ++++++++++++*+++++++ peak 168 Upper HB2 PRO 58 - QB ALA 116 4.70 14 0.16 0.30 +++++ *++++++ ++ peak 2132 QB ALA 116 - HB2 PRO 358 Upper HB2 PRO 58 - HA ALA 416 4.33 20 1.15 1.40 +++++++++++++++++*++ peak 8259 Upper HB2 PRO 58 - QB ALA 416 4.47 18 0.34 0.61 +++++ +++++ ++++++*+ peak 8262 Upper HB3 PRO 58 - QG2 VAL 119 4.05 20 0.53 0.84 +++++++++++++++*++++ peak 2140 QG2 VAL 119 - HB3 PRO 358 Upper HB3 PRO 58 - HA ALA 416 3.72 20 1.26 1.82 +++++++++++*++++++++ peak 8252 Upper HB3 PRO 58 - QB ALA 416 3.94 20 0.39 0.93 +++++++++++*++++++++ peak 8257 Upper HG2 PRO 58 - QB ALA 416 3.94 15 0.34 0.63 +++ ++++++ + ++++ * peak 1621 Upper H GLN 59 - HG2 GLN 59 4.07 20 0.19 0.22 ++++++++++++++++*+++ peak 835 Upper H GLN 59 - QD1 LEU 62 4.22 20 0.47 0.89 +++++++++++++++++*++ peak 2305 H GLN 59 - QD1 LEU 362 Upper H GLN 59 - QD2 LEU 362 4.27 20 2.08 2.39 ++++++++++++++++++*+ peak 8218 Upper HA GLN 59 - HZ PHE 92 3.91 20 0.82 1.15 +++++*++++++++++++++ peak 117 HZ PHE 92 - HA ALA 116 Upper HA GLN 59 - QD2 LEU 362 3.40 20 0.83 1.18 +++++++++++*++++++++ peak 8214 Upper QB GLN 59 - QD1 LEU 62 3.54 20 0.36 0.63 +++++++*++++++++++++ peak 8303 QB GLN 59 - QD1 LEU 362 QD1 LEU 62 - HB2 PRO 112 Upper QB GLN 59 - QD2 LEU 62 4.16 8 0.09 0.38 + + ++* + + + peak 8210 QB GLN 59 - QD2 LEU 362 QD2 LEU 62 - HB2 PRO 112 Upper HG2 GLN 59 - H GLU 60 4.84 20 0.42 0.73 +++++++++++++++*++++ peak 2224 Upper HG2 GLN 59 - QD1 LEU 62 4.37 20 0.71 1.01 +++++++*++++++++++++ peak 2276 HG2 GLN 59 - QD1 LEU 362 Upper HG2 GLN 59 - QD1 LEU 62 4.82 20 0.26 0.39 +++++*++++++++++++++ peak 2208 QD1 LEU 62 - HG2 GLN 359 Upper HG3 GLN 59 - H LEU 362 5.28 20 2.95 3.24 ++++++++++++++*+++++ peak 880 Upper HG3 GLN 59 - QD2 LEU 362 4.08 12 0.27 0.71 +* +++ +++++ + + peak 8211 Upper HE21 GLN 59 - QB TYR 352 5.50 19 0.34 0.60 +++++++++++++++ +*++ peak 847 Upper HE21 GLN 59 - QD1 LEU 362 5.50 18 0.36 1.08 ++++++++++++++++*+ peak 852 Upper HE21 GLN 59 - HD2 PRO 397 5.50 20 0.90 1.36 +++++++++++++++++*++ peak 3428 Upper HE21 GLN 59 - QB ALA 416 3.70 15 0.19 0.38 + ++++ + +++++++ +* peak 850 Upper HB3 GLU 60 - HE21 GLN 64 5.07 11 0.22 0.73 +++++ + + + *+ + peak 916 HB2 GLU 113 - HE21 GLN 364 Upper HG2 GLU 60 - H LEU 62 5.50 7 0.16 0.69 ++ + + + *+ peak 2244 HG2 GLU 60 - H GLN 64 Upper HG2 GLU 60 - H ALA 417 5.50 15 0.44 0.95 +++++ ++ ++ + *+++ + peak 1290 Upper HG3 GLU 60 - HE21 GLN 64 4.45 16 0.33 0.82 +++++ +++++ *+++ ++ peak 2238 Upper HG3 GLU 60 - HE22 GLN 64 5.50 16 0.32 0.61 ++++++ *++++ + ++ ++ peak 2237 Upper H ALA 61 - QD2 LEU 62 4.39 17 1.01 1.86 +++++ *+++ +++++++ + peak 8217 Upper HA ALA 61 - HG2 GLN 64 4.55 20 0.73 1.26 ++++++++++++++++++*+ peak 2329 Upper HA ALA 61 - H LEU 65 5.50 16 0.38 1.16 + +++++*++++ +++ ++ peak 3665 Upper QB ALA 61 - QD2 LEU 62 3.62 11 0.54 1.22 + +++ *++ + ++ + peak 8209 Upper QB ALA 61 - HG LEU 65 5.28 14 0.51 1.54 * ++++ +++ ++++++ peak 1599 Upper QB ALA 61 - QD2 LEU 65 5.21 15 0.65 1.46 *++++++++ ++ +++ + peak 1597 Upper QB ALA 61 - QD PHE 392 3.25 20 1.55 2.41 +++++++++++++++++*++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 8 0.16 1.05 + + ++ + +*+ peak 8146 Upper H LEU 62 - HG LEU 62 4.25 9 0.14 0.44 + + *++ + + ++ peak 2300 Upper H LEU 62 - HG3 GLN 359 5.28 20 2.92 3.47 +++++++++++++++++*++ peak 880 Upper HA LEU 62 - H PHE 92 4.60 20 0.71 1.01 +++++++++++++++++*++ peak 428 Upper HA LEU 62 - QD PHE 92 5.06 11 0.22 0.54 + +++ +*+ + ++ + peak 1852 Upper QD1 LEU 62 - HB2 PRO 112 4.02 13 0.18 0.56 + +++ +*+ ++ ++ ++ peak 3792 Upper QD1 LEU 62 - HG2 PRO 112 5.41 20 0.33 0.66 ++++*+++++++++++++++ peak 3750 Upper QD1 LEU 62 - H GLU 113 5.50 20 1.63 1.85 +++++++*++++++++++++ peak 2307 Upper QD1 LEU 62 - HG2 GLU 113 4.95 20 2.48 2.82 +++++++*++++++++++++ peak 3832 Upper QD1 LEU 62 - H ALA 116 5.50 20 1.39 1.62 ++++++++*+++++++++++ peak 978 Upper QD1 LEU 62 - HE21 GLN 359 5.50 20 0.39 0.71 +++++*++++++++++++++ peak 852 Upper QD1 LEU 62 - H LEU 365 5.50 20 1.37 2.00 +++++++*++++++++++++ peak 2306 Upper QD1 LEU 62 - QG1 VAL 388 3.35 20 0.90 1.53 ++++++*+++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.71 15 0.40 1.23 ++ ++++*+ ++ ++++ + peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.17 20 0.91 1.12 +*++++++++++++++++++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 18 0.59 1.24 +++++ +++++++++*+ ++ peak 8267 Upper QD2 LEU 62 - H VAL 88 4.73 16 0.69 1.35 ++ ++++ +++++ +++*+ peak 2316 Upper QD2 LEU 62 - H LEU 89 5.50 12 0.24 0.64 ++ +++ +++ + ++* peak 1133 Upper QD2 LEU 62 - HA LEU 89 5.50 12 0.28 0.68 + +++ +++ + +*++ peak 3177 Upper QD2 LEU 62 - HA PRO 112 4.33 20 0.49 0.69 +++++++*++++++++++++ peak 3746 Upper QD2 LEU 62 - HB2 PRO 112 4.21 9 0.19 0.63 + + ++* + + ++ peak 3752 Upper QD2 LEU 62 - HG2 GLU 113 5.18 20 1.77 2.39 +++++*++++++++++++++ peak 3833 Upper QD2 LEU 62 - H GLN 359 4.27 20 2.10 2.66 +++++++++++++++++++* peak 8218 Upper QD2 LEU 62 - HA GLN 359 3.40 20 0.92 1.56 +++++++++++++++++++* peak 8214 Upper QD2 LEU 62 - HG3 GLN 359 4.08 13 0.30 0.65 + +++ *++ +++ ++ + peak 8211 Upper QD2 LEU 62 - QD PHE 392 3.39 19 0.59 1.09 ++++ ++++++*++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.80 20 0.54 1.09 ++*+++++++++++++++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.97 20 1.51 1.96 +++++++++++++++*++++ peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.14 20 1.36 1.72 +++++++++++++++*++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 4.00 20 1.83 2.34 +++++++++++*++++++++ peak 8268 Upper H ALA 63 - H GLN 64 3.19 9 0.16 0.65 + ++++* ++ + peak 180 Upper H ALA 63 - HG2 GLN 64 4.90 6 0.11 0.61 * +++ + + peak 895 Upper HA ALA 63 - QG2 VAL 388 4.12 18 0.46 0.77 ++++ ++++++++++++ *+ peak 3151 Upper QB ALA 63 - HE22 GLN 64 5.50 7 0.13 0.65 ++ + + + *+ peak 926 Upper H GLN 64 - HB2 LEU 65 5.50 6 0.08 0.41 + + *++ + peak 2389 Upper HA GLN 64 - HE22 GLN 64 5.50 10 0.25 0.60 +++++ + + + +* peak 394 Upper HB2 GLN 64 - HG3 GLN 64 2.74 10 0.13 0.27 +++++ + + + *+ peak 2334 Upper HB3 GLN 64 - H LEU 65 4.05 9 0.09 0.37 ++*+ ++ + + + peak 2348 Upper HG3 GLN 64 - H LEU 65 4.27 18 0.44 0.91 +++ +++++++++* +++++ peak 2352 Upper H LEU 65 - HG2 GLU 67 5.50 13 0.19 0.79 + ++ + ++ +++++*+ peak 2478 Upper H LEU 65 - QD1 LEU 362 5.50 19 1.35 2.18 +++++++++++++++++ *+ peak 2306 Upper HB3 LEU 65 - H ARG 66 3.90 6 0.06 0.36 + + + +* + peak 943 Upper HB3 LEU 65 - QG1 VAL 88 4.97 7 0.11 0.60 + ++ ++* + peak 2364 Upper QD1 LEU 65 - HA ARG 66 3.99 6 0.15 0.85 ++ + ++ * peak 2431 HA ARG 66 - QD1 LEU 87 Upper QD1 LEU 65 - QG ARG 66 4.39 8 0.41 1.41 *+++ ++ ++ peak 8283 Upper QD1 LEU 65 - HD2 ARG 66 4.16 15 0.95 1.67 ++*++++++ + +++ ++ peak 8286 Upper QD1 LEU 65 - H GLU 67 5.20 9 0.17 0.76 ++ ++ + + +* + peak 957 QD1 LEU 87 - H GLU 367 Upper QD1 LEU 65 - H GLN 91 4.06 20 0.44 0.88 +++++++++++++*++++++ peak 1154 QD2 LEU 89 - H GLN 91 Upper QD1 LEU 65 - HA PHE 92 3.38 7 0.46 1.95 + + +* + + + peak 2394 Upper QD1 LEU 65 - HG2 GLN 391 4.15 20 1.63 2.15 +++++++++++*++++++++ peak 8284 Upper QD1 LEU 65 - QD PHE 392 3.30 20 1.09 1.80 ++++++++*+++++++++++ peak 8289 Upper QD2 LEU 65 - HD2 ARG 66 4.23 9 0.33 1.78 + ++ *+ ++ ++ peak 2360 Upper QD2 LEU 65 - H GLN 91 4.71 17 1.27 2.47 ++++*++++ ++ ++++++ peak 1153 Upper QD2 LEU 65 - H PHE 92 5.33 10 0.23 0.73 ++++ ++ ++ * + peak 1171 Upper QD2 LEU 65 - HA PHE 92 4.91 15 0.45 0.83 +++*+++++ ++ +++ + peak 3229 Upper QD2 LEU 65 - QB ALA 95 5.11 15 0.72 1.34 +++++*+++ ++ +++ + peak 1711 Upper QD2 LEU 65 - HG3 GLN 391 3.85 20 2.14 3.16 ++++++*+++++++++++++ peak 8294 Upper H ARG 66 - QG1 VAL 388 3.88 10 0.24 0.91 +++ +* ++ + + + peak 945 Upper HA ARG 66 - HB3 CYS 69 4.92 10 0.24 1.24 + +++ ++*++ + peak 2541 Upper HA ARG 66 - QG2 VAL 88 3.40 20 0.69 1.43 ++++*+++++++++++++++ peak 8234 Upper HA ARG 66 - QB LEU 384 4.22 20 0.82 1.76 +++++++*++++++++++++ peak 8248 Upper QB ARG 66 - H GLU 67 3.53 9 0.08 0.27 + ++ + + + *+ + peak 952 Upper QG ARG 66 - QB GLU 67 3.63 10 0.27 1.34 + + ++ + * +++ + peak 2462 Upper QG ARG 66 - HG2 GLU 67 5.50 8 0.13 0.61 *+ + + + ++ + peak 2456 Upper QG ARG 66 - HG3 GLU 67 5.50 10 0.23 0.95 ++ + * + + +++ + peak 2459 Upper QG ARG 66 - QG2 VAL 88 3.52 6 0.17 1.01 + * ++ + + peak 3144 QG ARG 66 - QG2 VAL 388 Upper H GLU 67 - HG LEU 68 5.50 10 0.34 1.28 + + + + + *+ ++ + peak 2527 Upper H GLU 67 - QD2 LEU 387 4.55 6 0.18 1.35 * ++++ + peak 956 Upper HA GLU 67 - HG2 GLU 67 3.99 7 0.08 0.23 + + * +++ + peak 1363 Upper HA GLU 67 - H ARG 70 4.66 6 0.09 0.59 ++ ++* + peak 196 Upper HA GLU 67 - HG3 ARG 70 5.50 8 0.13 0.63 *++ + + + + + peak 2596 Upper HA GLU 67 - QD2 LEU 373 5.50 20 0.91 1.78 +++++++++++++*++++++ peak 1785 Upper HG2 GLU 67 - HE21 GLN 71 4.56 13 0.23 0.74 + +++++ +++*+ ++ peak 2473 Upper HG2 GLU 67 - HE22 GLN 71 5.50 7 0.08 0.45 + + + * ++ + peak 2471 Upper HA CYS 69 - HB3 TRP 72 5.50 14 0.33 0.77 + + + +*++ +++++++ peak 2637 Upper HA CYS 69 - QD1 LEU 87 5.50 7 0.11 0.47 ++ + + +* + peak 2556 Upper HB3 CYS 69 - HB3 LEU 73 4.81 9 0.15 0.71 + ++++++* + peak 8275 Upper H ARG 70 - HB3 LEU 73 5.35 7 0.09 0.59 + + *+ ++ + peak 991 Upper H ARG 70 - QB LEU 384 4.47 18 0.64 1.04 +++++ ++++++++*+ +++ peak 8249 Upper HA ARG 70 - H ARG 74 4.80 14 0.44 1.41 +* + ++++ ++ +++++ peak 314 Upper HG3 ARG 70 - H ARG 74 5.50 9 0.30 1.21 ++ * ++ ++++ peak 2604 H ARG 74 - HG3 ARG 370 Upper HG3 ARG 70 - HD3 PRO 375 4.30 11 0.36 1.98 + +++ * +++++ + peak 2678 Upper HD2 ARG 70 - H GLN 71 5.33 7 0.21 0.94 * ++ + ++ + peak 274 Upper HD2 ARG 70 - HH2 TRP 372 5.50 16 0.64 1.63 ++++++++++ ++*++ + peak 2601 Upper HG3 GLN 71 - H TRP 72 4.74 7 0.13 0.47 + +* ++ + + peak 2626 Upper H TRP 72 - H ARG 74 4.43 8 0.30 1.47 + + + +* ++ + peak 291 Upper H TRP 72 - HA ARG 74 5.50 17 0.52 1.33 ++ ++++++++ *++++++ peak 2671 Upper H TRP 72 - QG1 VAL 377 4.08 20 2.79 3.35 ++++++++++++++*+++++ peak 8204 Upper HB3 TRP 72 - HB3 LEU 73 5.50 16 0.25 0.69 ++ +*+++++ +++++ ++ peak 2634 Upper HE3 TRP 72 - QD2 LEU 387 4.19 20 0.91 1.28 ++++++++++*+++++++++ peak 8228 Upper HE1 TRP 72 - HA LEU 87 5.50 17 0.41 0.86 +++ ++++ +++++++* ++ peak 250 Upper HZ2 TRP 72 - HB3 LEU 73 4.57 13 0.26 0.74 * + ++++ ++ +++++ peak 192 Upper HZ2 TRP 72 - QD2 LEU 73 4.74 16 0.46 1.19 *+++ + ++++ ++ +++++ peak 198 Upper HZ2 TRP 72 - QD2 LEU 387 3.94 20 2.17 2.69 ++++++++++*+++++++++ peak 8227 Upper HH2 TRP 72 - HB3 LEU 73 3.42 7 0.10 0.32 + +++ * + + peak 204 Upper HH2 TRP 72 - HD2 ARG 370 5.50 18 0.63 1.50 +*+++++++ +++++++++ peak 2601 Upper HA LEU 73 - QD1 LEU 86 3.95 8 0.24 1.45 + ++ + ++ * + peak 2650 Upper HB2 LEU 73 - H MET 83 5.50 14 0.34 1.33 ++++++++ ++ +* ++ peak 1076 Upper HB3 LEU 73 - H LEU 84 5.50 6 0.09 0.37 + + ++ + * peak 1081 QD1 LEU 73 - H LEU 84 Upper HG LEU 73 - QE MET 83 4.85 15 0.31 0.72 ++*+ +++ ++ ++++ ++ peak 1912 Upper HG LEU 73 - QD2 LEU 387 3.11 18 0.97 2.15 ++ ++++*+++++++++++ peak 8229 Upper QD1 LEU 73 - QE MET 83 3.11 20 0.76 1.23 +++++++++*++++++++++ peak 1635 Upper QD1 LEU 73 - HA LEU 84 4.91 17 1.02 1.69 ++ ++++++*+++++++ + peak 8279 Upper QD1 LEU 73 - HA LEU 84 5.09 8 0.14 0.51 ++ + +* + + + peak 1923 HA LEU 84 - QD1 LEU 373 Upper QD1 LEU 73 - HA LEU 84 5.04 9 0.14 0.55 +* + + ++++ + peak 2940 QD1 LEU 73 - HA LEU 384 Upper QD1 LEU 73 - QG1 VAL 377 3.02 20 1.42 1.74 ++++++++++++++++*+++ peak 8196 Upper QD1 LEU 73 - QD1 LEU 384 2.73 20 1.36 1.75 ++++++++++++++++*+++ peak 8312 Upper QD1 LEU 73 - HG LEU 387 3.40 20 1.42 2.22 ++++++*+++++++++++++ peak 8278 Upper QD1 LEU 73 - QD1 LEU 387 3.02 20 0.85 1.55 +++*++++++++++++++++ peak 8270 Upper QD1 LEU 73 - QD2 LEU 387 3.53 14 0.27 0.69 +++++++ + ++++ *+ peak 8280 Upper QD2 LEU 73 - H MET 83 5.50 20 0.96 1.35 +++++++++++++*++++++ peak 1072 Upper QD2 LEU 73 - HB2 MET 83 5.00 12 0.20 0.56 +++ + + ++ ++ ++* peak 2970 Upper QD2 LEU 73 - HG2 MET 83 5.50 11 0.28 1.09 + + + +++ +++ + * peak 2949 Upper QD2 LEU 73 - QB LEU 84 4.85 14 0.21 0.59 ++ + ++ ++*++++ + + peak 2938 QD2 LEU 73 - QB LEU 384 Upper QD2 LEU 73 - HG LEU 86 5.50 13 0.20 0.82 + ++ ++ *++ + +++ + peak 3066 Upper QD2 LEU 73 - H LEU 87 4.45 14 0.21 0.52 ++ ++++ ++ *++++ + peak 1102 Upper QD2 LEU 73 - HA GLU 367 5.50 20 0.87 1.37 +++++*++++++++++++++ peak 1785 Upper QD2 LEU 73 - QD1 LEU 384 3.83 20 0.87 1.67 *+++++++++++++++++++ peak 3067 Upper QD2 LEU 73 - QD2 LEU 386 3.93 20 1.42 1.73 +++*++++++++++++++++ peak 8187 Upper H ARG 74 - H GLU 376 5.11 7 0.37 1.70 + * + ++ ++ peak 292 Upper HB3 ARG 74 - H GLU 376 3.87 13 0.35 1.05 + ++++++ +* ++ + + peak 1012 Upper HA PRO 75 - QE MET 83 3.63 10 0.17 0.49 + +++* ++ + ++ peak 1643 Upper QB PRO 75 - HB2 LYS 80 3.44 12 0.34 0.86 ++ + + + ++ ++++ * peak 2696 Upper HD2 PRO 75 - H ARG 78 5.50 7 0.12 0.66 + + +++ +* peak 301 Upper HD3 PRO 75 - QD1 LEU 84 4.45 12 0.41 0.99 ++ + * ++++ +++ + peak 2680 Upper HD3 PRO 75 - HG3 ARG 370 4.30 15 0.39 1.36 ++ *+++++ +++ + +++ peak 2678 Upper H GLU 76 - QD1 LEU 84 5.50 15 0.43 1.09 ++ ++++ +*++ ++++ + peak 1008 Upper H GLU 76 - H ARG 374 5.11 6 0.17 1.41 + *+ + + + peak 292 Upper H GLU 76 - HB3 ARG 374 3.87 14 0.29 1.08 + ++*+ ++++ + ++++ peak 1012 Upper QB GLU 76 - QG2 VAL 377 4.51 9 0.22 0.81 + * + ++ ++++ peak 1731 Upper H VAL 77 - HG3 ARG 78 5.50 12 0.15 0.45 ++ *+ + +++ +++ + peak 2832 Upper H VAL 77 - QE MET 83 4.54 8 0.13 0.41 * + ++ + + ++ peak 1018 Upper HB VAL 77 - HB3 ARG 78 5.01 13 0.23 0.53 ++ * + ++ ++ +++++ peak 2776 Upper HB VAL 77 - HG2 ARG 78 4.57 12 0.27 0.78 +* + +++ + +++++ peak 2775 HB VAL 77 - QE MET 83 Upper HB VAL 77 - HG3 ARG 78 5.30 9 0.09 0.25 + + + + +++* + peak 2792 Upper QG1 VAL 77 - H TRP 372 4.08 20 2.76 3.47 ++++++++++++++*+++++ peak 8204 Upper QG1 VAL 77 - QD1 LEU 373 3.02 20 1.41 1.82 ++++++++++++*+++++++ peak 8196 Upper QG2 VAL 77 - QE MET 83 2.96 14 0.34 1.03 +++ + ++*+ ++++++ peak 1730 Upper QG2 VAL 77 - QB GLU 376 4.51 9 0.20 0.77 + +++ + *++ + peak 1731 Upper H ARG 78 - HD2 ARG 78 5.45 9 0.08 0.19 +* + + +++++ peak 1020 Upper H ARG 78 - HD3 ARG 78 5.50 8 0.08 0.19 ++ + *++ ++ peak 2837 Upper H ARG 78 - QE MET 83 3.59 8 0.10 0.32 + + ++ * ++ + peak 1647 Upper HB3 ARG 78 - HG2 MET 83 5.50 10 0.13 0.42 ++ + + ++ + *++ peak 2823 Upper H LYS 80 - QE MET 83 5.39 19 0.33 0.83 ++++++++++++*+ +++++ peak 1650 Upper HE2 LYS 80 - H GLN 82 5.41 8 0.07 0.21 *+ + +++ + + peak 1054 Upper H GLU 81 - QD1 LEU 84 4.55 12 0.29 1.16 +++++ +++ +++ * peak 1046 Upper H GLN 82 - HG2 MET 83 5.50 15 0.35 0.89 ++++++ + +++ ++ +*+ peak 2982 Upper H MET 83 - QD1 LEU 84 4.21 12 0.23 0.71 +++ +* ++ + +++ + peak 1074 Upper HA MET 83 - HG LEU 86 3.48 12 0.55 1.22 * + +++ +++++ + + peak 2976 Upper HB2 MET 83 - QD1 LEU 84 3.83 7 0.10 0.64 + + * ++ + + peak 3004 Upper H LEU 84 - QD1 LEU 87 5.50 8 0.15 0.69 * + +++++ + peak 3097 Upper HA LEU 84 - H LEU 86 4.36 7 0.17 0.62 +*++ ++ + peak 383 Upper HA LEU 84 - QD1 LEU 87 4.02 7 0.17 0.74 + + *++++ peak 3123 Upper HA LEU 84 - H VAL 88 5.50 6 0.08 0.38 + + ++* + peak 3020 Upper QB LEU 84 - H VAL 88 5.50 14 0.35 0.96 + ++++++ +*+++ ++ peak 3015 Upper QB LEU 84 - HA ARG 366 4.22 20 0.89 1.90 *+++++++++++++++++++ peak 8248 Upper QB LEU 84 - H ARG 370 4.47 18 0.52 0.93 +++++* +++++++ +++++ peak 8249 Upper QD1 LEU 84 - QD1 LEU 373 2.73 19 1.24 1.90 ++++++++++*+++++++ + peak 8312 Upper QD1 LEU 84 - QD2 LEU 373 3.83 18 0.65 1.77 +++ +++*++++++++++ + peak 3067 Upper HA GLU 85 - HG2 GLU 85 3.99 6 0.05 0.21 ++ + *++ peak 1390 Upper HG3 GLU 85 - QD1 LEU 86 4.04 12 0.50 1.08 + + +*+ +++++ + + peak 3057 Upper H LEU 86 - QD2 LEU 87 5.50 20 0.43 0.76 *+++++++++++++++++++ peak 1097 Upper QD2 LEU 86 - QD2 LEU 373 3.93 20 1.37 2.00 +++*++++++++++++++++ peak 8187 Upper H LEU 87 - HG LEU 87 3.07 19 0.57 1.01 +*+++++++++++ ++++++ peak 1109 Upper H LEU 87 - QD2 LEU 87 4.04 13 0.17 0.41 *+++ + ++ ++++ ++ peak 3091 Upper HG LEU 87 - QD1 LEU 373 3.40 20 1.31 1.77 +++++++++++++++++*++ peak 8278 Upper QD1 LEU 87 - QD1 LEU 373 3.02 20 0.85 1.45 ++++*+++++++++++++++ peak 8270 Upper QD2 LEU 87 - HE3 TRP 372 4.19 20 0.83 1.53 ++++++++*+++++++++++ peak 8228 Upper QD2 LEU 87 - HZ2 TRP 372 3.94 20 2.18 2.84 ++++++++*+++++++++++ peak 8227 Upper QD2 LEU 87 - HG LEU 373 3.11 19 1.04 2.35 +++++++ +++++++*++++ peak 8229 Upper QD2 LEU 87 - QD1 LEU 373 3.53 11 0.18 0.65 +++++ + + ++ +* peak 8280 Upper H VAL 88 - H GLU 90 4.75 14 0.20 0.59 + ++++++++ ++* ++ peak 405 Upper HB VAL 88 - H LEU 89 3.24 9 0.50 1.22 ++ ++ *+++ + peak 1130 Upper QG1 VAL 88 - QD1 LEU 362 3.35 20 0.86 1.46 ++*+++++++++++++++++ peak 8300 Upper QG1 VAL 88 - H ARG 366 3.88 11 0.33 1.04 ++ ++* +++ + ++ peak 945 Upper QG1 VAL 88 - QB ARG 366 3.19 10 0.17 0.44 ++ +++ +* + ++ peak 3147 Upper QG2 VAL 88 - H LEU 89 3.89 8 0.08 0.28 ++ + * + +++ peak 1138 Upper QG2 VAL 88 - HA ALA 363 4.12 19 0.46 0.79 +++*++++ +++++++++++ peak 3151 Upper HA LEU 89 - QD PHE 92 5.50 18 0.44 0.98 ++++*++++++ + ++++++ peak 3192 Upper HG LEU 89 - H GLU 90 3.93 11 0.21 0.55 * ++++ ++ ++ + + peak 1145 Upper QD1 LEU 89 - HD3 PRO 112 4.83 7 0.09 0.35 *+ + ++ + + peak 3753 Upper QD2 LEU 89 - HB2 PRO 112 4.08 19 0.71 1.18 ++ ++++++++*++++++++ peak 3793 Upper H GLN 91 - HG3 GLN 91 4.21 7 0.09 0.31 + + * + + + + peak 1155 Upper HG2 GLN 91 - QD1 LEU 365 4.15 20 1.68 2.16 ++++++++++++++++++*+ peak 8284 Upper HG3 GLN 91 - QD2 LEU 365 3.85 20 2.17 3.46 +++++++++++++++++*++ peak 8294 Upper HE21 GLN 91 - HA ALA 95 5.47 9 0.10 0.36 + +++++ + * + peak 416 Upper HE21 GLN 91 - QB ALA 95 4.28 10 0.15 0.35 + +++++++ * + peak 1720 Upper QD PHE 92 - HG LEU 93 5.50 18 0.27 0.67 +++ ++++++++ ++*++++ peak 3284 Upper QD PHE 92 - QD1 LEU 93 5.50 19 0.49 0.70 *++++++++++++++ ++++ peak 3296 Upper QD PHE 92 - QD2 LEU 93 3.93 20 0.36 0.60 *+++++++++++++++++++ peak 149 Upper QD PHE 92 - QD1 LEU 96 3.90 16 0.23 0.41 ++++++ ++*+ +++ ++ + peak 148 Upper QD PHE 92 - QB ALA 361 3.25 20 1.58 1.94 ++++++++++++++*+++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.39 20 0.57 1.04 +++++++++++*++++++++ peak 8215 Upper QD PHE 92 - QD1 LEU 365 3.30 20 0.98 1.82 ++++++++++++*+++++++ peak 8289 Upper QE PHE 92 - HA LEU 93 4.34 19 0.25 0.53 *++++++++++++ ++++++ peak 112 QE PHE 92 - HA GLU 113 Upper QE PHE 92 - QD2 LEU 93 4.97 18 0.27 0.67 *++++++++++++ + ++++ peak 3290 Upper QE PHE 92 - HA ALA 115 4.47 18 0.19 0.35 ++++ ++ +++++++++*++ peak 3893 QE PHE 92 - HA ALA 116 Upper QE PHE 92 - QB ALA 115 3.63 20 0.26 0.55 *+++++++++++++++++++ peak 180 Upper QE PHE 92 - H ALA 116 4.91 16 0.17 0.33 *+++++++ ++ ++ ++++ peak 964 Upper QE PHE 92 - QB ALA 116 3.86 20 0.39 0.46 +++++++*++++++++++++ peak 162 Upper QE PHE 92 - QG2 VAL 119 5.34 7 0.08 0.28 + + ++ + + * peak 3977 Upper QE PHE 92 - QB ALA 361 3.19 9 0.16 0.62 ++ + + + + *+ + peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.80 19 0.60 1.00 +++++++++*+++++++ ++ peak 8216 Upper HZ PHE 92 - QD1 LEU 96 4.41 14 0.23 0.90 +++++* ++++ + + ++ peak 182 Upper HZ PHE 92 - QB ALA 115 4.74 20 0.45 0.86 *+++++++++++++++++++ peak 178 Upper HZ PHE 92 - QB ALA 116 3.81 20 0.29 0.44 *+++++++++++++++++++ peak 176 Upper HZ PHE 92 - QG1 VAL 119 3.93 20 0.42 0.76 ++++++++++++++++++*+ peak 174 Upper HZ PHE 92 - QD1 LEU 362 3.71 17 0.53 2.10 ++++ ++++++ ++++*++ peak 8306 Upper H LEU 93 - HG LEU 93 3.72 20 0.54 0.99 +*++++++++++++++++++ peak 3285 Upper H LEU 93 - H ALA 95 4.42 11 0.12 0.23 + + +*+++++ ++ peak 439 Upper H LEU 93 - QD1 LEU 96 5.50 20 0.58 0.69 +*++++++++++++++++++ peak 3357 Upper HA LEU 93 - QB ALA 95 4.85 18 0.16 0.24 +++++ ++ +++++*+++++ peak 3274 Upper HA LEU 93 - HE22 GLN 105 5.50 7 0.06 0.20 + + + ++*+ peak 521 HA2 GLY 94 - HE22 GLN 105 Upper HB3 LEU 93 - H GLY 94 3.96 7 0.05 0.17 + + +++ + * peak 1178 Upper HG LEU 93 - QD1 LEU 96 5.48 20 0.31 0.81 +++++++++++++++*++++ peak 3265 Upper QD1 LEU 93 - HA GLN 105 4.50 15 0.22 0.51 +++ ++++++++* ++ + peak 3279 Upper QD1 LEU 93 - QG GLN 105 4.28 10 0.11 0.27 + + *+ + + ++ ++ peak 3273 Upper QD2 LEU 93 - H ALA 115 5.29 15 0.20 0.56 ++++++ +++++ +++* peak 3293 Upper H GLY 94 - QD1 LEU 96 5.50 18 0.30 0.50 ++++++ ++*++++++++ + peak 1181 Upper H GLY 94 - HG2 GLN 101 5.50 20 0.50 1.25 +++++++++++++++++++* peak 1174 Upper HA2 GLY 94 - HE22 GLN 101 4.51 8 0.10 0.19 ++ +++* + + peak 3302 Upper H ALA 95 - QD1 LEU 96 4.84 20 0.53 0.77 +++++++++*++++++++++ peak 1113 Upper QB ALA 95 - QD PHE 350 3.02 20 4.54 4.80 +++++++++++++++++*++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.34 20 3.83 4.10 ++++*+++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 4.18 20 1.26 1.41 ++++++++++++++*+++++ peak 2059 Upper QB ALA 95 - QD TYR 352 3.68 20 1.55 1.75 +++++++++++++++++*++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 20 1.56 1.73 +++++++++++++++++*++ peak 8176 Upper H LEU 96 - QD1 LEU 96 4.49 17 0.15 0.29 ++++++ ++*+++++ ++ + peak 1188 Upper H LEU 96 - HA GLN 101 5.50 20 0.57 0.70 +++++++++++++++*++++ peak 3521 Upper H LEU 96 - HG3 GLN 101 5.50 18 0.19 0.34 +++++ ++++++++++++* peak 4101 Upper HG LEU 96 - HA VAL 119 3.95 20 1.40 2.40 +++++++++*++++++++++ peak 3944 Upper QD2 LEU 96 - HB3 GLN 101 5.50 8 0.08 0.27 * ++ +++ + + peak 4064 Upper QD2 LEU 96 - QB TYR 352 4.18 20 1.56 1.74 ++++++++*+++++++++++ peak 8179 Upper QD2 LEU 96 - QD TYR 352 3.70 20 1.24 1.33 +++++++++++++*++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.90 20 0.29 0.46 +++++++++++++*++++++ peak 8182 Upper HD2 PRO 97 - HE21 GLN 359 5.50 20 0.87 1.05 ++++*+++++++++++++++ peak 3428 Upper HA PRO 98 - HE22 GLN 101 5.50 6 0.07 0.32 + + + ++* peak 478 Upper QD1 ILE 100 - QD TYR 352 4.11 20 1.34 1.44 +++++++++++++++++++* peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.73 17 0.19 0.31 +++++ ++*+++++++ ++ peak 8114 Upper QD1 ILE 100 - HG2 PRO 358 3.84 10 0.13 0.43 ++ * ++++++ + peak 8117 Upper HG3 GLN 101 - H ARG 103 5.50 10 0.14 0.37 + + +* + +++++ peak 4102 Upper QB ALA 102 - HE21 GLN 105 5.50 12 0.14 0.39 ++ +++++ * ++++ peak 1223 Upper HA VAL 104 - QD2 LEU 118 4.46 17 0.27 0.49 ++++++ ++ ++++ *++++ peak 3938 Upper HB VAL 104 - HE21 GLN 107 4.21 14 0.25 0.72 ++*++ + + ++ +++++ peak 1238 Upper HA PRO 109 - H SER 111 4.35 15 0.19 0.33 + + ++ ++*++ + +++++ peak 553 Upper HA PRO 109 - QB GLU 114 4.25 13 0.15 0.39 +*+ + ++++ ++ + ++ peak 3856 Upper HB2 SER 111 - HD3 PRO 112 4.03 11 0.13 0.37 + + + +++ +*+++ peak 3728 Upper HB3 SER 111 - HD2 PRO 112 3.97 16 0.20 0.32 + +++ ++++ +++*++++ peak 3733 Upper HB2 PRO 112 - H GLU 114 5.50 20 0.48 0.62 ++++++++++++++*+++++ peak 3807 Upper HB2 PRO 112 - QD1 LEU 362 4.17 20 0.93 1.13 ++++++++*+++++++++++ peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.97 20 1.50 1.80 *+++++++++++++++++++ peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.32 19 0.60 1.04 +++++++ ++++++++++*+ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.14 20 1.32 1.59 +++++++*++++++++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 4.00 20 1.83 2.28 ++++++++++++++*+++++ peak 8268 Upper HD2 PRO 112 - HB2 GLU 113 5.03 13 0.14 0.29 ++ +++ +++*+ + ++ peak 3771 Upper HA GLU 113 - HG3 GLU 113 3.37 11 0.24 0.57 * ++ ++ +++++ + peak 1431 Upper HA GLU 113 - H ALA 115 4.83 16 0.19 0.32 *+++ +++++++++++ + peak 567 Upper HG2 GLU 113 - QB ALA 116 5.50 19 0.23 0.38 ++++++*++ ++++++++++ peak 3838 Upper HA GLU 114 - QD2 LEU 118 4.03 19 0.29 0.37 ++++++++++++++ *++++ peak 3882 Upper HA ALA 116 - HB2 PRO 358 4.33 20 1.25 1.46 +++++++++++*++++++++ peak 8259 Upper HA ALA 116 - HB3 PRO 358 3.72 20 1.26 1.42 +++++++++++++++*++++ peak 8252 Upper QB ALA 116 - HB2 PRO 358 4.47 20 0.43 0.57 +++++++*++++++++++++ peak 8262 Upper QB ALA 116 - HB3 PRO 358 3.94 20 0.39 0.53 +++++++*++++++++++++ peak 8257 Upper QB ALA 116 - HG2 PRO 358 3.94 7 0.15 0.47 + *+ + + ++ peak 1621 Upper QB ALA 116 - HE21 GLN 359 3.70 13 0.15 0.37 *+++ + ++++++ ++ peak 850 Upper H ALA 117 - HG2 GLU 360 5.50 10 0.39 1.08 ++ + ++ ++ + * + peak 1290 Upper HA ALA 117 - HB2 ASP 120 3.79 12 0.17 0.51 ++++ + ++ ++ *+ + peak 3900 Upper HA ALA 117 - HB3 ASP 120 4.25 12 0.13 0.32 ++ +++ ++ ++* ++ peak 1485 Upper QB ALA 117 - HB3 ASP 120 5.40 9 0.12 0.36 ++ + + + +++ * peak 1487 Upper H LEU 118 - QG2 VAL 119 5.50 7 0.12 0.39 + + *+ ++ + peak 8191 Upper HB3 LEU 118 - HG LEU 122 4.19 11 0.28 0.65 + +* +++ + ++ ++ peak 4017 Upper HA VAL 119 - HB2 LEU 122 4.44 7 0.06 0.24 + + + + + + * peak 1882 Upper HB VAL 119 - H ASP 120 3.27 13 0.49 0.91 +++ + ++++ ++++ * peak 805 Upper QG2 VAL 119 - QE TYR 352 3.65 8 0.08 0.28 + + + +* +++ peak 8189 Upper HB3 ASP 120 - H LEU 122 5.15 9 0.14 0.44 ++ + + +*+ + + peak 1323 Upper QB ALA 343 - HB3 TRP 372 4.41 19 0.41 0.72 +++++*+++++++++++ ++ peak 2633 Upper H ARG 344 - HD1 TRP 372 4.65 9 0.09 0.32 +++ + * + +++ peak 54 Upper HB3 LEU 345 - QD1 LEU 345 3.05 7 0.05 0.13 + *+++ ++ peak 1939 Upper H ARG 346 - QD2 LEU 368 5.50 7 0.08 0.28 +++ + +* + peak 2532 Upper HB2 PHE 347 - QD1 LEU 368 3.94 6 0.08 0.60 +++ * + + peak 2484 Upper QD PHE 347 - QD1 LEU 365 4.44 20 0.50 0.93 ++++++++*+++++++++++ peak 304 Upper QE PHE 347 - HB2 LEU 368 5.50 6 0.09 0.37 ++ * + ++ peak 2520 Upper QE PHE 347 - QG2 VAL 388 3.88 13 0.17 0.48 ++++ + ++ ++*+ + + peak 316 Upper QE PHE 347 - H GLU 390 5.47 10 0.14 0.49 + +++ ++++ *+ peak 402 Upper HZ PHE 347 - HE ARG 348 5.12 7 0.10 0.42 + + ++ ++ * peak 1346 Upper HZ PHE 347 - QD1 LEU 365 4.03 18 0.60 0.96 +++++ ++++ +*+++++++ peak 292 Upper HZ PHE 347 - QD2 LEU 365 4.17 10 0.36 1.43 + + *+ + + + + ++ peak 291 Upper HA ARG 348 - HE22 GLN 391 5.47 6 0.09 0.47 ++ + * + + peak 1995 Upper HB2 PHE 350 - QD2 LEU 365 4.38 17 0.79 1.12 +++++++++++ ++ ++*+ peak 2014 Upper HB2 PHE 350 - QD1 LEU 368 5.45 8 0.09 0.44 + ++ + * + + + peak 2013 Upper HB2 PHE 350 - QB ALA 395 4.96 20 0.40 0.67 ++++++++++*+++++++++ peak 2012 Upper HB3 PHE 350 - QD2 LEU 365 4.60 20 0.84 1.19 ++++++++++++++++++*+ peak 2011 Upper QD PHE 350 - QB ALA 361 3.89 6 0.05 0.19 + ++ * + + peak 277 Upper QD PHE 350 - HB3 GLN 364 4.63 7 0.08 0.34 *++ ++ + + peak 276 Upper QD PHE 350 - QD2 LEU 365 3.32 19 1.00 1.50 ++++++++++++ +++*+++ peak 281 Upper QD PHE 350 - QD1 LEU 368 4.57 7 0.11 0.43 * + + ++ + + peak 2510 Upper QD PHE 350 - HA PHE 392 5.47 7 0.10 0.40 + + + + ++ * peak 3240 Upper QE PHE 350 - QG GLU 353 5.50 20 0.98 1.34 ++++++*+++++++++++++ peak 2090 Upper QE PHE 350 - HA ALA 361 3.61 12 0.16 0.46 +++ * + ++ ++ +++ peak 71 Upper QE PHE 350 - HG LEU 365 4.06 16 0.37 0.85 ++++ * + +++++ +++++ peak 270 Upper QE PHE 350 - QD1 LEU 365 3.99 18 0.74 1.52 ++++ *++++++++ +++++ peak 271 Upper QE PHE 350 - QD2 LEU 365 4.63 16 0.61 1.19 +++++ ++++ + +++*++ peak 272 Upper H HIS 351 - QB ALA 395 5.50 20 0.46 0.61 ++++++++++*+++++++++ peak 787 Upper HB3 HIS 351 - QB ALA 395 5.50 6 0.08 0.29 + + + * ++ peak 2046 Upper H TYR 352 - HG LEU 396 5.22 12 0.75 1.55 +++ ++ ++ +++ + * peak 793 Upper QD TYR 352 - HB THR 356 3.66 15 0.27 1.38 ++++ + + +++*++ +++ peak 44 Upper QD TYR 352 - HG2 PRO 358 3.73 15 0.34 0.64 ++++ + *++++++ +++ peak 243 QD TYR 52 - HG2 PRO 358 Upper QD TYR 352 - H ALA 361 5.50 7 0.08 0.26 ++ + ++ + * peak 870 Upper QD TYR 352 - QD1 LEU 396 5.13 20 0.53 0.66 +++++++++++++++++++* peak 251 Upper QD TYR 352 - QD1 ILE 400 4.15 10 0.10 0.25 + +++ * + ++ ++ peak 249 Upper QE TYR 352 - QG GLU 354 3.92 18 0.32 0.53 ++++ +*++++++ ++++++ peak 2190 Upper QE TYR 352 - QG2 THR 356 4.77 17 0.54 0.98 ++*++++++++ ++++++ peak 1769 Upper QE TYR 352 - QD2 LEU 396 3.85 20 0.39 0.60 ++++++++*+++++++++++ peak 240 Upper QE TYR 352 - HG2 PRO 397 5.02 8 0.07 0.26 ++ + +++ * + peak 3429 Upper QE TYR 352 - QD1 ILE 400 3.84 12 0.11 0.20 * + +++++ ++ ++ + peak 237 Upper QG GLU 353 - HD2 PRO 397 5.50 20 0.84 1.30 +++++++++++++++++*++ peak 2085 Upper H ALA 355 - QG2 THR 356 5.32 16 0.15 0.24 +++++++++ + ++*+++ peak 812 Upper HB THR 356 - HG2 GLU 360 5.27 19 0.61 0.92 +++++++++ +++++++*++ peak 2104 Upper HB THR 356 - HG3 GLU 360 4.34 19 0.39 0.73 +++++++++++ ++++*+++ peak 2105 Upper QG2 THR 356 - HD3 PRO 358 5.50 9 0.14 0.42 + ++ + + +*++ peak 1764 Upper QG2 THR 356 - H LEU 362 5.50 11 0.22 0.66 + + ++++ + ++*+ peak 1774 Upper QG2 THR 356 - HE21 GLN 364 4.79 17 0.34 0.86 ++++ ++ +++*+++++ ++ peak 919 Upper H GLY 357 - HG3 GLU 360 4.75 20 0.83 1.17 +++++*++++++++++++++ peak 824 Upper HA2 GLY 357 - HE21 GLN 359 5.32 19 0.35 0.77 *++++++++++++++ ++++ peak 845 Upper HA PRO 358 - H LEU 362 4.82 17 0.30 0.77 ++++++ + +++++ ++*++ peak 875 Upper HA PRO 358 - HZ PHE 392 4.37 20 1.28 1.50 *+++++++++++++++++++ peak 116 Upper HB2 PRO 358 - HZ PHE 392 3.63 20 1.65 2.01 *+++++++++++++++++++ peak 168 Upper HB2 PRO 358 - QB ALA 416 4.70 9 0.10 0.34 + + + + + ++*+ peak 2132 HB2 PRO 58 - QB ALA 416 Upper HB3 PRO 358 - QG2 VAL 419 4.05 19 0.44 0.72 +*+++ ++++++++++++++ peak 2140 HB3 PRO 58 - QG2 VAL 419 Upper H GLN 359 - HG2 GLN 359 4.07 20 0.18 0.22 +*++++++++++++++++++ peak 835 Upper H GLN 359 - QD1 LEU 362 4.22 20 0.45 0.73 +++++++*++++++++++++ peak 2305 QD1 LEU 62 - H GLN 359 Upper HA GLN 359 - HZ PHE 392 3.91 20 0.87 1.10 +++*++++++++++++++++ peak 117 HZ PHE 392 - HA ALA 416 Upper QB GLN 359 - QD1 LEU 362 3.54 18 0.36 0.71 ++++++++ ++++++++ *+ peak 8303 QD1 LEU 62 - QB GLN 359 QD1 LEU 362 - HB2 PRO 412 Upper HG2 GLN 359 - H GLU 360 4.84 20 0.34 0.63 +++++++*++++++++++++ peak 2224 Upper HG2 GLN 359 - QD1 LEU 362 4.82 19 0.26 0.81 ++++++++++ ++++++*++ peak 2208 HG2 GLN 59 - QD1 LEU 362 Upper HG2 GLN 359 - QD1 LEU 362 4.37 20 0.73 1.19 +++++++++++++++++*++ peak 2276 QD1 LEU 62 - HG2 GLN 359 Upper H GLU 360 - HB3 GLU 360 3.31 6 0.06 0.25 + + + *++ peak 862 Upper HB3 GLU 360 - HE21 GLN 364 5.07 8 0.13 0.52 + +* + + + + + peak 916 HE21 GLN 64 - HB2 GLU 413 Upper HG2 GLU 360 - H LEU 362 5.50 8 0.19 0.63 + + +* ++++ peak 2244 HG2 GLU 360 - H GLN 364 Upper HG2 GLU 360 - HE21 GLN 364 4.81 6 0.09 0.34 + + * + ++ peak 2242 Upper HG3 GLU 360 - HE21 GLN 364 4.45 13 0.30 0.82 + + ++++ * + +++++ peak 2238 Upper HG3 GLU 360 - HE22 GLN 364 5.50 13 0.22 0.61 + ++ + ++++ *++++ peak 2237 Upper H ALA 361 - QD2 LEU 362 4.39 17 1.16 1.84 +++++++ +*+++++ + ++ peak 8217 Upper HA ALA 361 - HG2 GLN 364 4.55 20 0.91 1.39 +++++++++++++++++*++ peak 2329 Upper HA ALA 361 - H LEU 365 5.50 13 0.31 1.44 +++ +* +++++ + ++ peak 3665 Upper QB ALA 361 - QD2 LEU 362 3.62 13 0.65 1.19 +*++++ ++ ++ + ++ peak 8209 Upper QB ALA 361 - HG LEU 365 5.28 14 0.69 1.42 ++*++ +++ +++ +++ peak 1599 Upper QB ALA 361 - QD2 LEU 365 5.21 17 0.90 1.48 +++++++++*+ ++ ++++ peak 1597 Upper H LEU 362 - HG LEU 362 4.25 7 0.12 0.46 +++ + *+ + peak 2300 Upper H LEU 362 - QD2 LEU 365 5.13 9 0.18 0.48 + ++ + * ++ ++ peak 2407 H GLN 364 - QD2 LEU 365 Upper HA LEU 362 - H PHE 392 4.60 20 0.74 0.89 ++++++++++*+++++++++ peak 428 Upper HA LEU 362 - QD PHE 392 5.06 13 0.23 0.48 ++++++ +* ++ ++ + peak 1852 Upper QD1 LEU 362 - H ALA 363 4.42 6 0.07 0.28 + + + + * + peak 8311 QD1 LEU 62 - H ALA 363 Upper QD1 LEU 362 - HB2 PRO 412 4.02 14 0.21 0.80 ++++++ +++++ + *+ peak 3792 Upper QD1 LEU 362 - HG2 PRO 412 5.41 18 0.31 0.59 ++++++++++++*++ + ++ peak 3750 Upper QD1 LEU 362 - H GLU 413 5.50 20 1.60 1.90 ++++++++++++*+++++++ peak 2307 Upper QD1 LEU 362 - HG2 GLU 413 4.95 20 2.44 2.91 ++++++++++++++++++*+ peak 3832 Upper QD1 LEU 362 - H ALA 416 5.50 20 1.39 2.16 +++++++++++++++++*++ peak 978 Upper QD2 LEU 362 - H VAL 388 4.73 15 0.63 1.47 ++++ ++*+ ++ ++++ + peak 2316 Upper QD2 LEU 362 - H LEU 389 5.50 7 0.19 0.68 +++ + ++ * peak 1133 Upper QD2 LEU 362 - HA LEU 389 5.50 9 0.20 0.76 + +++ + ++ * + peak 3177 Upper QD2 LEU 362 - HA PRO 412 4.33 20 0.48 1.06 +++++++++++++++*++++ peak 3746 Upper QD2 LEU 362 - HB2 PRO 412 4.21 6 0.12 0.64 +++ * ++ peak 3752 Upper QD2 LEU 362 - HG2 GLU 413 5.18 20 1.70 2.44 +++++++++++*++++++++ peak 3833 Upper H ALA 363 - H GLN 364 3.19 9 0.14 0.55 + + + + *++ ++ peak 180 Upper H ALA 363 - HG2 GLN 364 4.90 6 0.10 0.71 + * + + + + peak 895 Upper H ALA 363 - QD2 LEU 365 5.39 8 0.18 0.56 + ++ + + + +* peak 2406 Upper QB ALA 363 - HE22 GLN 364 5.50 12 0.23 0.95 + ++*++++ ++++ peak 926 Upper HA GLN 364 - HE22 GLN 364 5.50 15 0.37 0.69 ++ +++++++ ++++ * + peak 394 Upper HB2 GLN 364 - HG3 GLN 364 2.74 15 0.18 0.27 ++ +++++++ +++* + + peak 2334 Upper HB3 GLN 364 - H LEU 365 4.05 7 0.09 0.41 + + +* + + + peak 2348 Upper HG3 GLN 364 - H LEU 365 4.27 19 0.53 0.86 ++++++++++*++++++++ peak 2352 Upper HE22 GLN 364 - QD1 LEU 368 5.50 6 0.10 0.54 + + + ++* peak 929 Upper H LEU 365 - HG2 GLU 367 5.50 14 0.24 0.66 +++ ++++++++* + + peak 2478 Upper HB3 LEU 365 - H GLU 367 5.50 9 0.23 0.95 + + + + + ++ * + peak 954 Upper HB3 LEU 365 - QG1 VAL 388 4.97 10 0.21 0.67 + +++ * +++ + + peak 2364 Upper QD1 LEU 365 - HA ARG 366 3.99 9 0.24 0.72 + * + ++ ++ + + peak 2431 HA ARG 366 - QD1 LEU 387 Upper QD1 LEU 365 - QG ARG 366 4.39 13 0.53 1.46 *+++ +++ + ++ + ++ peak 8283 Upper QD1 LEU 365 - HD2 ARG 366 4.16 16 0.94 1.84 ++++++++++* ++ + ++ peak 8286 Upper QD1 LEU 365 - H GLU 367 5.20 7 0.11 0.61 + +* + + ++ peak 957 H GLU 67 - QD1 LEU 387 Upper QD1 LEU 365 - H GLN 391 4.06 19 0.40 0.87 ++++++ +++++*+++++++ peak 1154 QD2 LEU 389 - H GLN 391 Upper QD2 LEU 365 - QG ARG 366 3.89 6 0.09 0.51 + + + ++ * peak 8295 QD2 LEU 365 - QB ALA 395 Upper QD2 LEU 365 - HD2 ARG 366 4.23 9 0.32 1.77 + + + ++++*+ peak 2360 Upper QD2 LEU 365 - H GLN 391 4.71 18 0.94 2.36 +++++++++++ +++ +++* peak 1153 Upper QD2 LEU 365 - HA PHE 392 4.91 17 0.46 0.87 *++++++++++ ++ ++++ peak 3229 Upper QD2 LEU 365 - QB ALA 395 5.11 17 0.89 1.47 +++++++++++ ++ +*++ peak 1711 Upper HA ARG 366 - HB3 CYS 369 4.92 6 0.11 0.52 + + *++ + peak 2541 Upper HA ARG 366 - QG2 VAL 388 3.40 20 0.61 1.32 +++++++++++++++++*++ peak 8234 Upper QB ARG 366 - H GLU 367 3.53 6 0.06 0.20 ++ + ++ * peak 952 Upper QG ARG 366 - QB GLU 367 3.63 8 0.19 1.12 + ++ ++ + *+ peak 2462 Upper QG ARG 366 - HG2 GLU 367 5.50 8 0.12 0.65 + ++ + + +*+ peak 2456 Upper QG ARG 366 - HG3 GLU 367 5.50 8 0.12 0.76 + + + + + +*+ peak 2459 Upper H GLU 367 - HG LEU 368 5.50 8 0.32 1.11 +++* + + + + peak 2527 Upper HA GLU 367 - HG2 GLU 367 3.99 7 0.08 0.24 + ++ +* ++ peak 1363 Upper HA GLU 367 - HG3 ARG 370 5.50 9 0.16 0.90 + ++ ++ ++*+ peak 2596 Upper HG2 GLU 367 - HE21 GLN 371 4.56 13 0.24 0.88 ++ ++ ++++ + + *++ peak 2473 Upper H CYS 369 - HB3 CYS 369 3.53 9 0.08 0.18 ++ +++ + +* + peak 986 Upper HA CYS 369 - HB2 TRP 372 4.98 6 0.10 0.37 * + + + + + peak 2638 Upper HA CYS 369 - HB3 TRP 372 5.50 12 0.34 0.83 + +++ *+++++ + + peak 2637 Upper HA CYS 369 - QD1 LEU 387 5.50 9 0.28 1.12 + + + + +++ * + peak 2556 Upper HB3 CYS 369 - HB3 LEU 373 4.81 8 0.13 0.48 ++ ++ ++* + peak 8275 Upper HB3 CYS 369 - QD1 LEU 387 4.57 6 0.11 0.59 + + * +++ peak 2560 Upper HB3 CYS 369 - QG2 VAL 388 5.03 8 0.19 1.22 ++ + + * + + + peak 2557 Upper HA ARG 370 - H ARG 374 4.80 19 0.61 1.74 +++*++++ +++++++++++ peak 314 Upper HG2 ARG 370 - H GLN 371 4.29 6 0.12 0.57 + +++* + peak 285 H GLN 71 - QB LEU 384 Upper HG3 ARG 370 - H ARG 374 5.50 12 0.32 0.92 ++ +++ ++*+ + ++ peak 2604 HG3 ARG 70 - H ARG 374 Upper HD2 ARG 370 - H GLN 371 5.33 9 0.19 0.90 + + + *++ ++ + peak 274 Upper H TRP 372 - HA ARG 374 5.50 17 0.32 0.98 + +* +++++++++++++ + peak 2671 Upper HB3 TRP 372 - HB3 LEU 373 5.50 15 0.29 0.86 +++++++ +++ +++ *+ peak 2634 Upper HE1 TRP 372 - HA LEU 387 5.50 15 0.39 0.79 ++++* +++++ ++ + ++ peak 250 Upper HZ2 TRP 372 - HB3 LEU 373 4.57 13 0.22 0.58 + +*+ ++++++++ + peak 192 Upper HZ2 TRP 372 - QD2 LEU 373 4.74 18 0.44 1.43 +++ +++*+++++++++ ++ peak 198 Upper HH2 TRP 372 - HB3 LEU 373 3.42 6 0.07 0.24 + ++ +* + peak 204 Upper HA LEU 373 - QD1 LEU 386 3.95 7 0.11 0.76 + * + + +++ peak 2650 Upper HB2 LEU 373 - H MET 383 5.50 10 0.18 0.92 ++ *+ +++ +++ peak 1076 Upper HB3 LEU 373 - HG3 MET 383 5.36 6 0.08 0.29 *+ ++ ++ peak 1898 Upper HB3 LEU 373 - H LEU 384 5.50 6 0.10 0.68 + * ++ + + peak 1081 QD1 LEU 373 - H LEU 384 Upper HG LEU 373 - QE MET 383 4.85 12 0.25 0.71 +++++++ *+ ++ + peak 1912 Upper QD1 LEU 373 - QE MET 383 3.11 20 0.82 1.31 ++++++++++++++++*+++ peak 1635 Upper QD1 LEU 373 - HA LEU 384 5.04 8 0.10 0.36 *+ + ++ ++ + peak 2940 HA LEU 84 - QD1 LEU 373 Upper QD1 LEU 373 - HA LEU 384 4.91 19 1.03 1.88 +++++++ *+++++++++++ peak 8279 Upper QD1 LEU 373 - HA LEU 384 5.09 8 0.11 0.31 + + + ++ * + + peak 1923 QD1 LEU 73 - HA LEU 384 Upper QD2 LEU 373 - H MET 383 5.50 20 1.03 1.29 ++++*+++++++++++++++ peak 1072 Upper QD2 LEU 373 - HB2 MET 383 5.00 8 0.11 0.38 ++ ++ ++ +* peak 2970 Upper QD2 LEU 373 - HG2 MET 383 5.50 14 0.32 0.77 ++ +++++ ++++ * + + peak 2949 Upper QD2 LEU 373 - HG3 MET 383 5.50 6 0.26 1.03 ++ ++ *+ peak 2956 Upper QD2 LEU 373 - QB LEU 384 4.85 11 0.20 0.47 ++ + +++*++ + + peak 2938 QB LEU 84 - QD2 LEU 373 Upper QD2 LEU 373 - QD1 LEU 384 4.12 6 0.10 0.54 + ++ + +* peak 3067 Upper QD2 LEU 373 - HG LEU 386 5.50 16 0.20 0.53 +++ +++ +++ +++* +++ peak 3066 Upper QD2 LEU 373 - H LEU 387 4.45 14 0.20 0.39 +++++++ + ++++ + * peak 1102 Upper HA ARG 374 - QG ARG 374 3.15 6 0.05 0.21 + + + + +* peak 1265 Upper QB PRO 375 - HB2 LYS 380 3.44 13 0.29 0.93 +++ ++ ++ +* + + ++ peak 2696 Upper QB PRO 375 - HE2 LYS 380 5.50 7 0.09 0.42 ++* + + ++ peak 2874 Upper HD3 PRO 375 - QD1 LEU 384 4.45 11 0.42 1.12 ++ ++ + + + *+++ peak 2680 Upper H GLU 376 - QD1 LEU 384 5.50 13 0.37 0.82 +++ ++ ++ + + *+++ peak 1008 Upper H VAL 377 - QE MET 383 4.54 6 0.08 0.42 + + + + * + peak 1018 Upper HB VAL 377 - HB3 ARG 378 5.01 14 0.30 0.55 ++++ + ++++*++ + + peak 2776 Upper HB VAL 377 - HG2 ARG 378 4.57 13 0.24 0.63 +*++ ++++ + +++ + peak 2775 HB VAL 377 - QE MET 383 Upper HB VAL 377 - HG3 ARG 378 5.30 6 0.06 0.23 ++ + * + + peak 2792 Upper QG2 VAL 377 - QE MET 383 2.96 18 0.47 1.51 ++++++*+ +++++++ +++ peak 1730 Upper H ARG 378 - HD2 ARG 378 5.45 9 0.08 0.23 + ++ + ++ +*+ peak 1020 Upper H ARG 378 - HD3 ARG 378 5.50 7 0.09 0.42 + + + * + + + peak 2837 Upper H ARG 378 - QE MET 383 3.59 6 0.07 0.27 ++ + + + * peak 1647 Upper HB3 ARG 378 - HG2 MET 383 5.50 12 0.18 0.52 + + +++++ ++*++ peak 2823 Upper H LYS 380 - QE MET 383 5.39 15 0.39 0.83 ++++*++ ++ +++ +++ peak 1650 Upper HG2 LYS 380 - H GLN 382 4.31 6 0.12 1.04 + + + + *+ peak 1061 Upper H GLU 381 - QD1 LEU 384 4.55 8 0.14 0.67 + + * + + + ++ peak 1046 Upper H GLN 382 - HG2 MET 383 5.50 11 0.22 0.77 ++ + +*++ ++++ peak 2982 Upper HA MET 383 - HG LEU 386 3.48 10 0.43 1.14 + * +++ ++ + + + peak 2976 Upper H LEU 384 - HG LEU 384 3.56 7 0.11 0.57 + + + + ++ * peak 3022 Upper H LEU 384 - QD1 LEU 387 5.50 6 0.17 1.01 + *++ + + peak 3097 Upper HA LEU 384 - H LEU 386 4.36 8 0.18 0.62 ++ + + + *++ peak 383 Upper HA LEU 384 - QD1 LEU 387 4.02 7 0.13 0.66 + *++ + + + peak 3123 Upper QB LEU 384 - H VAL 388 5.50 15 0.31 0.90 ++ ++ +++ ++ + ++*++ peak 3015 Upper HG LEU 384 - H GLU 385 4.66 6 0.13 0.69 + + + + +* peak 3021 Upper HG3 GLU 385 - QD1 LEU 386 4.04 10 0.45 1.18 + + *++ ++ + + + peak 3057 Upper H LEU 386 - QD2 LEU 387 5.50 20 0.46 0.86 ++++*+++++++++++++++ peak 1097 Upper HB2 LEU 386 - HG LEU 386 2.76 8 0.10 0.26 + ++ + + * ++ peak 342 Upper HB3 LEU 386 - H LEU 387 4.05 8 0.11 0.34 + ++ + + + *+ peak 1108 Upper H LEU 387 - HG LEU 387 3.07 20 0.68 0.97 +++++++++++++*++++++ peak 1109 Upper H LEU 387 - QD2 LEU 387 4.04 16 0.20 0.36 ++++++*+++ +++ + ++ peak 3091 Upper H VAL 388 - H GLU 390 4.75 13 0.16 0.46 + + +++ +++ ++ +*+ peak 405 Upper HB VAL 388 - H LEU 389 3.24 11 0.62 1.22 + +*++ ++ ++ + + peak 1130 Upper HA LEU 389 - QD PHE 392 5.50 19 0.37 0.83 ++++++++++++++ ++*++ peak 3192 Upper HB3 LEU 389 - HG2 PRO 412 5.50 7 0.09 0.37 + * + + +++ peak 3787 Upper HG LEU 389 - H GLU 390 3.93 6 0.13 0.54 + + * ++ + peak 1145 Upper QD1 LEU 389 - HA SER 411 4.02 9 0.14 0.43 ++ + ++ * + ++ peak 3193 Upper QD1 LEU 389 - HD3 PRO 412 4.83 12 0.15 0.47 ++ + ++++ +++ +* peak 3753 Upper QD2 LEU 389 - HB2 PRO 412 4.08 20 0.68 1.10 +++++++++++++++++*++ peak 3793 Upper HE21 GLN 391 - QB ALA 395 4.28 9 0.12 0.39 * + ++++ ++ + peak 1720 Upper QD PHE 392 - HG LEU 393 5.50 18 0.29 0.63 ++++++*+++++++++ + + peak 3284 Upper QD PHE 392 - QD1 LEU 393 5.50 20 0.50 0.66 +++++++++++++++++++* peak 3296 Upper QD PHE 392 - QD2 LEU 393 3.93 20 0.37 0.57 ++++*+++++++++++++++ peak 149 Upper QD PHE 392 - QD1 LEU 396 3.90 13 0.21 0.44 + ++ + ++++ +*+ ++ peak 148 Upper QE PHE 392 - HA LEU 393 4.34 20 0.28 0.49 +++++++++++++++++++* peak 112 QE PHE 392 - HA GLU 413 Upper QE PHE 392 - QD2 LEU 393 4.97 19 0.30 0.60 ++++++++++++++++ ++* peak 3290 Upper QE PHE 392 - QQG VAL 404 4.97 6 0.06 0.25 ++ + * ++ peak 3580 Upper QE PHE 392 - HA ALA 415 4.47 19 0.23 0.33 +++++++++++++++*++ + peak 3893 QE PHE 392 - HA ALA 416 Upper QE PHE 392 - QB ALA 415 3.63 20 0.32 0.53 ++++++++++++*+++++++ peak 180 Upper QE PHE 392 - H ALA 416 4.91 17 0.20 0.33 + +++ +++++ +++*++++ peak 964 Upper QE PHE 392 - QB ALA 416 3.86 20 0.39 0.48 ++++++++++++++++++*+ peak 162 Upper QE PHE 392 - QG2 VAL 419 5.34 8 0.11 0.47 + + + *++ + + peak 3977 Upper HZ PHE 392 - QD1 LEU 396 4.41 13 0.28 0.79 + ++++ * + + +++ ++ peak 182 Upper HZ PHE 392 - QB ALA 415 4.74 20 0.48 0.76 ++++++++++++*+++++++ peak 178 Upper HZ PHE 392 - QB ALA 416 3.81 20 0.30 0.43 ++++++++++++++++++*+ peak 176 Upper HZ PHE 392 - QG1 VAL 419 3.93 20 0.47 1.01 ++++++++++++*+++++++ peak 174 Upper H LEU 393 - HG LEU 393 3.72 17 0.52 0.98 *++++++++ ++++++ ++ peak 3285 Upper H LEU 393 - HA3 GLY 394 5.50 7 0.09 0.12 ++ + + + *+ peak 3309 Upper H LEU 393 - H ALA 395 4.42 12 0.12 0.20 + +++++++++ * + peak 439 Upper H LEU 393 - QD1 LEU 396 5.50 20 0.55 0.73 ++++++++++++++*+++++ peak 3357 Upper HA LEU 393 - QB ALA 395 4.85 18 0.16 0.30 +++ ++++*+++++++ +++ peak 3274 Upper HB3 LEU 393 - H GLY 394 3.96 8 0.05 0.18 + ++ + + *+ + peak 1178 Upper HG LEU 393 - QD1 LEU 396 5.48 17 0.30 0.88 +++ +++*++++++ ++++ peak 3265 Upper QD1 LEU 393 - HA GLN 405 4.50 14 0.22 0.61 ++++++ +* + ++ +++ peak 3279 Upper QD1 LEU 393 - QG GLN 405 4.28 11 0.09 0.17 + + ++++++ + * + peak 3273 Upper QD1 LEU 393 - HE22 GLN 405 4.70 6 0.04 0.16 ++ +* + + peak 1230 Upper QD2 LEU 393 - H ALA 415 5.29 14 0.18 0.43 ++ +++ ++++ + ++*+ peak 3293 Upper H GLY 394 - QD1 LEU 396 5.50 20 0.28 0.49 ++++++++++++++*+++++ peak 1181 Upper H GLY 394 - HG2 GLN 401 5.50 20 0.47 0.59 ++++++++++++*+++++++ peak 1174 Upper HA2 GLY 394 - HE22 GLN 401 4.51 13 0.12 0.24 +++ +++++ ++* + + peak 3302 Upper H ALA 395 - QD1 LEU 396 4.84 20 0.51 0.72 ++++++++++++++*+++++ peak 1113 Upper H LEU 396 - QD1 LEU 396 4.49 15 0.14 0.23 + ++++++ +++ +++ *+ peak 1188 Upper H LEU 396 - HA GLN 401 5.50 20 0.55 0.74 ++++++*+++++++++++++ peak 3521 Upper H LEU 396 - HG3 GLN 401 5.50 15 0.18 0.34 ++ +++++ *+++ ++ ++ peak 4101 Upper HG LEU 396 - HA VAL 419 3.95 20 1.28 2.31 ++++*+++++++++++++++ peak 3944 Upper QD2 LEU 396 - HB3 GLN 401 5.50 10 0.09 0.21 ++ ++ ++ + + + * peak 4064 Upper HA PRO 398 - HE22 GLN 401 5.50 8 0.08 0.17 + ++ ++ *+ + peak 478 Upper QB GLU 399 - QG2 ILE 400 3.72 9 0.07 0.24 + ++ ++* + + + peak 1612 Upper H ILE 400 - QG2 ILE 400 3.13 6 0.05 0.17 * ++ ++ + peak 232 Upper HG12 ILE 400 - QG1 VAL 419 4.14 6 0.07 0.28 + + + *+ + peak 3953 Upper HG3 GLN 401 - H ARG 403 5.50 16 0.18 0.35 ++++ +*++++++++ + + peak 4102 Upper QB ALA 402 - HE21 GLN 405 5.50 11 0.14 0.31 +*+ ++ + + + +++ peak 1223 Upper HA VAL 404 - QD2 LEU 418 4.46 18 0.32 0.43 +++++*++++++++ ++++ peak 3938 Upper HB VAL 404 - HE21 GLN 407 4.21 15 0.27 0.45 +++++++ ++++* ++ + peak 1238 Upper HA PRO 409 - H SER 411 4.35 13 0.15 0.31 +* ++ + ++ + + ++++ peak 553 Upper HA PRO 409 - QB GLU 414 4.25 7 0.07 0.30 * ++++ ++ peak 3856 Upper HG3 PRO 409 - H SER 411 4.50 6 0.07 0.25 ++ + * + + peak 1262 Upper HB2 SER 411 - HD3 PRO 412 4.03 7 0.10 0.33 * + ++++ + peak 3728 Upper HB3 SER 411 - HD2 PRO 412 3.97 17 0.19 0.33 ++++++++*++++++ ++ peak 3733 Upper HB2 PRO 412 - H GLU 414 5.50 19 0.42 0.66 +++++++++++*+++ ++++ peak 3807 Upper HD2 PRO 412 - HB2 GLU 413 5.03 8 0.09 0.22 * + ++ ++ ++ peak 3771 Upper HA GLU 413 - HG3 GLU 413 3.37 8 0.23 0.59 ++ * + ++ + + peak 1431 Upper HA GLU 413 - H ALA 415 4.83 19 0.22 0.32 +++++++++* +++++++++ peak 567 Upper HG2 GLU 413 - QB ALA 416 5.50 20 0.28 0.47 +++++++++++++++*++++ peak 3838 Upper HA GLU 414 - QD2 LEU 418 4.03 20 0.27 0.39 +++++++++++++++++*++ peak 3882 Upper HA ALA 417 - HB2 ASP 420 3.79 12 0.19 0.64 +++++ *+++ +++ peak 3900 Upper HA ALA 417 - HB3 ASP 420 4.25 10 0.14 0.30 ++ + +*+ + +++ peak 1485 Upper QB ALA 417 - HB3 ASP 420 5.40 10 0.13 0.33 +*++ ++ + +++ peak 1487 Upper H LEU 418 - QG2 VAL 419 5.50 9 0.14 0.37 ++++ +* + + + peak 8191 Upper HB3 LEU 418 - HG LEU 422 4.19 11 0.23 0.54 + ++ ++++ ++ * + peak 4017 Upper HA VAL 419 - HB2 LEU 422 4.44 6 0.05 0.15 * + ++ + + peak 1882 Upper HB VAL 419 - H ASP 420 3.27 11 0.41 0.85 ++ ++++ + +*+ + peak 805 Upper QG2 VAL 419 - HB2 ASP 420 4.80 8 0.13 0.47 +*++ + + + + peak 3957 Upper HB3 ASP 420 - H LEU 422 5.15 10 0.14 0.34 ++*++ ++ + + + peak 1323 Upper HA LEU 422 - QD2 LEU 422 3.38 7 0.06 0.17 + * ++ + + + peak 565 VdW HA ARG 44 - HB3 PHE 47 2.00 9 0.17 0.37 + +*+++ ++ + VdW HB2 PHE 47 - HB3 LEU 68 2.00 9 0.18 0.42 + + * + ++ ++ + VdW CG PHE 47 - C PHE 47 2.90 10 0.19 0.23 ++++*++++ + VdW CZ PHE 47 - CB GLN 91 3.20 12 0.23 0.42 + ++ ++ ++++*++ VdW CZ PHE 47 - HB2 GLN 91 2.60 20 0.49 0.67 ++++*+++++++++++++++ VdW HZ PHE 47 - O LEU 87 2.30 17 0.29 0.58 +++ + ++++++++++*++ VdW CE2 PHE 47 - HB3 CYS 69 2.60 7 0.13 0.46 + * + + + + + VdW CB PHE 50 - O ALA 61 2.90 6 0.19 0.57 + ++ + +* VdW HB3 PHE 50 - O ALA 61 2.30 17 0.40 0.81 ++++ +++++++++*+ ++ VdW CG PHE 50 - O ALA 61 2.90 8 0.16 0.46 + ++++ *+ + VdW CD1 PHE 50 - C ALA 61 3.10 10 0.30 0.69 ++ +*+++ + + + VdW CD1 PHE 50 - O ALA 61 2.90 10 0.24 0.86 ++ ++*++ + + + VdW HD1 PHE 50 - C ALA 61 2.50 10 0.24 0.65 +* +++++ + + + VdW HD1 PHE 50 - O ALA 61 2.30 10 0.24 0.68 ++ +*+++ + + + VdW CE1 PHE 50 - C GLU 60 3.10 8 0.18 0.60 ++ + ++ * + + VdW CE1 PHE 50 - O GLU 60 2.90 14 0.35 0.73 ++++ ++++++ ++*+ VdW CE1 PHE 50 - H GLN 64 2.55 7 0.14 0.53 + + ++ + * + VdW CE1 PHE 50 - HG2 GLN 64 2.60 7 0.13 0.44 ++++* + + VdW HE1 PHE 50 - N ALA 63 2.45 6 0.18 0.90 + +*+ + + VdW HE1 PHE 50 - CB ALA 63 2.60 8 0.17 0.53 ++ + ++ * + + VdW CZ PHE 50 - CA GLU 60 3.20 11 0.19 0.45 + + +++++ + *+ + VdW CZ PHE 50 - HA GLU 60 2.60 9 0.17 0.54 + + ++ ++ + * + VdW CZ PHE 50 - C GLU 60 3.10 18 0.40 0.56 ++++++*+++++++++ ++ VdW CZ PHE 50 - O GLU 60 2.90 20 0.53 0.73 +++++*++++++++++++++ VdW CZ PHE 50 - HG2 GLN 64 2.60 9 0.20 0.59 + ++++* ++ + VdW CE2 PHE 50 - C GLU 60 3.10 6 0.18 0.60 + + ++ + * VdW CE2 PHE 50 - O GLU 60 2.90 15 0.36 0.85 ++++*++++++++ + + VdW CE2 PHE 50 - H ALA 63 2.55 6 0.15 0.48 * + ++ + + VdW CE2 PHE 50 - CB ALA 63 3.20 6 0.09 0.36 + + ++ + * VdW CE2 PHE 50 - HG2 GLN 64 2.60 9 0.18 0.57 + +++++ * ++ VdW HE2 PHE 50 - N ALA 63 2.45 8 0.24 0.89 + + ++ * +++ VdW HE2 PHE 50 - H ALA 63 1.95 9 0.20 0.49 + + + ++ + * ++ VdW HE2 PHE 50 - CB ALA 63 2.60 6 0.17 0.59 + + ++ + * VdW CD2 PHE 50 - O GLU 60 2.90 7 0.12 0.38 + ++ + + * + VdW CD2 PHE 50 - C ALA 61 3.10 10 0.26 0.67 + + + ++ + ++*+ VdW CD2 PHE 50 - O ALA 61 2.90 9 0.26 0.90 + + ++ + +*++ VdW HD2 PHE 50 - C ALA 61 2.50 7 0.20 0.59 + + ++ + +* VdW HD2 PHE 50 - O ALA 61 2.30 10 0.25 0.68 + + + ++ + ++*+ VdW HA HIS 51 - C GLY 94 2.50 18 0.31 0.41 ++++ +++ ++++++++*++ VdW C HIS 51 - CB ALA 61 3.10 7 0.13 0.37 ++ + + +*+ VdW N TYR 52 - CB ALA 61 3.05 10 0.19 0.33 +* ++ + + + +++ VdW N TYR 52 - O GLY 94 2.75 9 0.15 0.34 ++++ + + ++ * VdW H TYR 52 - C GLY 94 2.45 10 0.16 0.29 +++* + + +++ + VdW H TYR 52 - H LEU 96 1.90 17 0.31 0.50 ++ + +++ +*+++++++++ VdW HA TYR 52 - O GLY 57 2.30 17 0.34 0.50 +++++ ++*++ ++++++ + VdW CB TYR 52 - HA PRO 58 2.60 20 0.45 0.52 ++*+++++++++++++++++ VdW CB TYR 52 - HA ALA 95 2.60 9 0.19 0.33 * +++++ + ++ VdW CB TYR 52 - N LEU 96 3.05 6 0.15 0.24 * ++ + + + VdW HB2 TYR 52 - HA PRO 58 2.00 20 0.48 0.59 ++++++++++++++*+++++ VdW HB3 TYR 52 - C ALA 95 2.50 20 0.43 0.51 ++*+++++++++++++++++ VdW HB3 TYR 52 - N LEU 96 2.45 20 0.59 0.69 +*++++++++++++++++++ VdW CG TYR 52 - CA PRO 58 3.20 20 0.30 0.41 +++++*++++++++++++++ VdW CG TYR 52 - HA PRO 58 2.60 20 0.51 0.70 +++++*++++++++++++++ VdW CD1 TYR 52 - C TYR 52 3.10 11 0.29 0.57 ++ ++ ++ + +*+ + VdW CD1 TYR 52 - C GLY 57 3.10 10 0.15 0.42 ++ ++ +* + +++ VdW CD1 TYR 52 - HA PRO 58 2.60 6 0.10 0.32 + + ++ +* VdW CD1 TYR 52 - HB3 PRO 58 2.60 9 0.16 0.45 + ++ + ++ ++* VdW HD1 TYR 52 - C TYR 52 2.50 11 0.32 0.71 ++ *+ ++ + +++ + VdW HD1 TYR 52 - N GLU 53 2.45 11 0.32 0.67 ++ ++ +* + +++ + VdW CD2 TYR 52 - C TYR 52 3.10 9 0.24 0.59 + ++ + ++ +*+ VdW CD2 TYR 52 - C GLY 57 3.10 9 0.14 0.37 + ++ + ++ +*+ VdW CD2 TYR 52 - HB3 PRO 58 2.60 11 0.21 0.46 ++ ++ ++ + +++ * VdW HD2 TYR 52 - C TYR 52 2.50 9 0.26 0.63 + ++ * ++ +++ VdW HD2 TYR 52 - N GLU 53 2.45 9 0.24 0.61 + ++ + ++ *++ VdW O TYR 52 - C LEU 96 2.80 17 0.28 0.40 +++ ++++*+++++++++ VdW O GLU 53 - N GLY 57 2.75 15 0.22 0.27 +++++++++++ + ++* VdW CG2 THR 56 - CB GLU 60 3.20 6 0.13 0.38 + + * + ++ VdW CG2 THR 56 - HB3 GLU 60 2.60 18 0.36 0.55 ++++++ ++++++++++ +* VdW O THR 56 - CB GLU 60 2.90 8 0.15 0.34 ++ + + + + + * VdW CB PRO 58 - HZ PHE 392 2.60 16 0.22 0.33 +++*+++ +++ + + ++++ VdW HB2 PRO 58 - HZ PHE 392 2.00 20 0.54 0.65 +++++++++++++++++*++ VdW HG2 PRO 58 - NE2 GLN 59 2.45 17 0.26 0.41 +++++++++++ +++* ++ VdW C PRO 58 - HZ PHE 392 2.50 6 0.11 0.37 ++ + * + + VdW N GLN 59 - CZ PHE 392 3.05 20 0.41 0.55 +++*++++++++++++++++ VdW N GLN 59 - HZ PHE 392 2.45 7 0.15 0.29 + + *++ + + VdW N GLN 59 - HB2 ALA 416 2.45 7 0.11 0.29 +* +++ + + VdW H GLN 59 - HE21 GLN 59 1.90 20 0.50 0.57 +++++++++++++++++++* VdW CA GLN 59 - CE1 PHE 392 3.20 13 0.33 0.60 +++++ + ++++ + + * VdW CA GLN 59 - CZ PHE 392 3.20 19 0.43 0.57 +++++++++++++++*+ ++ VdW CA GLN 59 - CE2 PHE 392 3.20 7 0.18 0.54 *+ + + + + + VdW HA GLN 59 - CD1 PHE 392 2.60 13 0.24 0.50 +++++ + ++++ + + * VdW HA GLN 59 - CE1 PHE 392 2.60 13 0.57 0.97 +++++ + ++++ + + * VdW HA GLN 59 - CZ PHE 392 2.60 18 0.47 0.67 + +++++++++++++*+ ++ VdW HA GLN 59 - CE2 PHE 392 2.60 7 0.30 0.91 *+ + + + + + VdW HA GLN 59 - CD2 PHE 392 2.60 7 0.13 0.45 ++ + + * + + VdW CB GLN 59 - HE21 GLN 59 2.55 19 0.27 0.33 +++++++++++++++*+ ++ VdW CB GLN 59 - CA PRO 412 3.20 17 0.26 0.40 +++++*+ ++ ++++++ ++ VdW CB GLN 59 - HA PRO 412 2.60 19 0.45 0.62 +++++*+++++++++++ ++ VdW CB GLN 59 - O PRO 412 2.90 15 0.27 0.55 +++ +++ +++++* +++ VdW CB GLN 59 - N ALA 416 3.05 6 0.16 0.26 + + + * ++ VdW CB GLN 59 - H ALA 416 2.55 20 0.30 0.37 +++++++++++++++++++* VdW CB GLN 59 - CB ALA 416 3.20 7 0.18 0.30 + +++ + *+ VdW HB2 GLN 59 - HE21 GLN 59 1.95 11 0.20 0.32 + + ++ ++ ++*+ + VdW HB2 GLN 59 - N ALA 416 2.45 20 0.43 0.55 +++++++++++++++*++++ VdW HB2 GLN 59 - H ALA 416 1.95 19 0.28 0.38 +++++*+++++++++++ ++ VdW HB2 GLN 59 - CA ALA 416 2.60 20 0.34 0.47 ++++++++++++++++++*+ VdW HB2 GLN 59 - CB ALA 416 2.60 18 0.36 0.55 +*++++++++++ ++ ++++ VdW HB3 GLN 59 - CA PRO 412 2.60 18 0.32 0.51 +++++++ +++++++*+ ++ VdW HB3 GLN 59 - HA PRO 412 2.00 9 0.19 0.32 +++ + + *++ + VdW HB3 GLN 59 - C PRO 412 2.50 20 0.53 0.65 +++++*++++++++++++++ VdW HB3 GLN 59 - O PRO 412 2.30 20 0.52 0.91 +++++++++++++++*++++ VdW CG GLN 59 - CD1 PHE 392 3.20 7 0.18 0.64 ++ * + + + + VdW CG GLN 59 - CE1 PHE 392 3.20 7 0.18 0.59 ++ + + + + * VdW CG GLN 59 - CE2 PHE 392 3.20 13 0.32 0.60 +++++ + ++++ * + + VdW CG GLN 59 - CD2 PHE 392 3.20 13 0.33 0.58 +*+++ + ++++ + + + VdW CG GLN 59 - CA PRO 412 3.20 14 0.26 0.37 +++ +++ ++++ ++ + * VdW CG GLN 59 - HA PRO 412 2.60 20 0.72 0.84 +++++*++++++++++++++ VdW CG GLN 59 - HB2 ALA 415 2.60 6 0.10 0.42 * + ++ ++ VdW CG GLN 59 - HB3 ALA 415 2.60 6 0.09 0.38 + * + ++ + VdW HG2 GLN 59 - HA PRO 412 2.00 20 0.39 0.64 ++++++++++++++++++*+ VdW HG2 GLN 59 - HB1 ALA 415 2.00 7 0.16 0.47 + +++ + * + VdW HG2 GLN 59 - HB2 ALA 415 2.00 6 0.12 0.46 + + *+ ++ VdW HG2 GLN 59 - HB3 ALA 415 2.00 6 0.13 0.49 + + + +* + VdW HG3 GLN 59 - CG PHE 392 2.60 20 0.46 0.54 +++++++++++++++++++* VdW HG3 GLN 59 - CD1 PHE 392 2.60 8 0.32 0.95 ++ * + + +++ VdW HG3 GLN 59 - CE1 PHE 392 2.60 7 0.19 0.62 ++ + + + + * VdW HG3 GLN 59 - CE2 PHE 392 2.60 13 0.34 0.69 +++++ + ++++ * + + VdW HG3 GLN 59 - CD2 PHE 392 2.60 13 0.53 0.92 ++*++ + ++++ + + + VdW CD GLN 59 - CE1 PHE 392 3.10 7 0.21 0.68 +* + + + + + VdW CD GLN 59 - HE1 PHE 392 2.50 7 0.10 0.41 ++ + + + + * VdW CD GLN 59 - CE2 PHE 392 3.10 13 0.36 0.65 +++++ + ++++ + * + VdW CD GLN 59 - HE2 PHE 392 2.50 9 0.15 0.36 + ++ + ++ + * + VdW HE22 GLN 59 - CG LEU 396 2.55 7 0.11 0.31 + +* + + + + VdW HE22 GLN 59 - CD1 LEU 396 2.55 10 0.21 0.35 ++ +++ +*++ + VdW HE22 GLN 59 - CD2 LEU 396 2.55 7 0.17 0.37 + + +*+ + + VdW C GLN 59 - H ALA 61 2.45 18 0.32 0.46 +*+++++++++++++ + ++ VdW C GLN 59 - O PRO 412 2.80 19 0.76 0.93 ++++++*++++++++ ++++ VdW O GLN 59 - HB2 PRO 412 2.30 9 0.16 0.40 +++ + +*+ ++ VdW O GLN 59 - O PRO 412 2.60 19 0.66 0.81 ++++*++++++++++ ++++ VdW N GLU 60 - O PRO 412 2.75 9 0.15 0.35 + ++* + ++ + + VdW N GLU 60 - CB ALA 416 3.05 17 0.31 0.44 +++*+ + +++++++++++ VdW H GLU 60 - CB ALA 416 2.55 20 0.55 0.72 +++++++++++++++++*++ VdW H GLU 60 - HB2 ALA 416 1.95 10 0.19 0.52 ++ +++* + + + + VdW H GLU 60 - HB3 ALA 416 1.95 6 0.16 0.55 * + ++++ VdW CB ALA 61 - CA ALA 95 3.20 14 0.30 0.54 ++++ ++ +++++* ++ VdW CB ALA 61 - HA ALA 95 2.60 19 0.51 0.69 +++++++++++++++*+ ++ VdW CA LEU 62 - CD1 LEU 62 3.00 8 0.11 0.26 + + +*+ + + + VdW CA LEU 62 - HG LEU 65 2.60 8 0.14 0.55 ++++ +* + + VdW CA LEU 62 - CD2 LEU 65 3.20 15 0.26 0.51 ++++ ++ ++*+++ +++ VdW HA LEU 62 - CD1 LEU 62 2.60 9 0.15 0.40 + + +++ + * ++ VdW HA LEU 62 - CD2 LEU 65 2.60 15 0.37 0.75 ++++ ++ ++*+++ +++ VdW HA LEU 62 - HD22 LEU 65 2.00 6 0.13 0.57 + + ++ + * VdW CB LEU 62 - CD2 LEU 362 3.20 12 0.25 0.59 ++++ + ++ ++ +* + VdW HB2 LEU 62 - CD1 PHE 392 2.60 6 0.09 0.32 + + +* + + VdW HB2 LEU 62 - HD1 PHE 392 2.00 7 0.14 0.59 + * ++++ + VdW HB3 LEU 62 - CD2 LEU 362 2.60 11 0.34 0.88 ++ + + ++ ++ +* + VdW HB3 LEU 62 - HD23 LEU 362 2.00 6 0.19 0.86 + ++ + +* VdW HG LEU 62 - CB LEU 362 2.60 6 0.14 0.60 + +++ *+ VdW CD1 LEU 62 - CD2 LEU 65 3.20 7 0.10 0.32 + + ++* + + VdW CD1 LEU 62 - HA PHE 92 2.60 10 0.21 0.65 + + + ++* + + ++ VdW CD1 LEU 62 - CG PHE 92 3.20 8 0.15 0.33 *+ +++ + ++ VdW CD1 LEU 62 - CD2 PHE 92 3.20 6 0.20 0.80 + + + * + + VdW CD1 LEU 62 - CB ALA 95 3.20 8 0.12 0.33 + ++ +* + ++ VdW HD13 LEU 62 - CG PHE 92 2.60 7 0.13 0.52 ++ ++ * + + VdW CD2 LEU 62 - CD2 LEU 65 3.20 7 0.12 0.41 * ++ + + ++ VdW CD2 LEU 62 - CD2 PHE 92 3.20 6 0.20 0.75 + *+ + ++ VdW CD2 LEU 62 - CB LEU 362 3.20 9 0.22 0.50 + + * +++ ++ + VdW CD2 LEU 62 - HB2 LEU 362 2.60 6 0.10 0.34 + ++* + + VdW CD2 LEU 62 - HB3 LEU 362 2.60 9 0.29 0.81 + +++ +++ +* VdW CD2 LEU 62 - CD1 LEU 362 3.20 7 0.15 0.48 + + ++ + + * VdW HD21 LEU 62 - CB LEU 362 2.60 7 0.14 0.57 + + +*+ + + VdW HD21 LEU 62 - HB2 LEU 362 2.00 6 0.14 0.56 + + + + + * VdW HD21 LEU 62 - HB3 LEU 362 2.00 6 0.12 0.78 + + ++* + VdW C LEU 62 - CG LEU 65 3.10 6 0.12 0.36 + * ++ + + VdW C LEU 62 - HG LEU 65 2.50 10 0.22 0.62 + * +++++++ + VdW C LEU 62 - CD1 LEU 65 3.10 6 0.13 0.60 + + ++ + * VdW O LEU 62 - CG LEU 65 2.90 11 0.29 0.57 + +*+++ ++++ + VdW O LEU 62 - HG LEU 65 2.30 10 0.29 0.81 + +++++ + ++ * VdW O LEU 62 - CD1 LEU 65 2.90 11 0.24 0.60 ++++ *+++ ++ + VdW CA ALA 63 - HG2 PRO 412 2.60 17 0.26 0.37 + *+++ ++++++++++ ++ VdW HA ALA 63 - CG PRO 412 2.60 19 0.43 0.56 ++*++++++++++++ ++++ VdW HA ALA 63 - HG2 PRO 412 2.00 19 0.41 0.60 +++++++++++++++ ++*+ VdW CB ALA 63 - HG2 PRO 412 2.60 8 0.21 0.69 + + +++ + *+ VdW CB ALA 63 - C PRO 412 3.10 7 0.15 0.28 ++ +* + ++ VdW CB ALA 63 - HG2 GLU 413 2.60 6 0.09 0.39 ++ * ++ + VdW HB3 ALA 63 - HG2 PRO 412 2.00 6 0.11 0.56 + + + + * + VdW HB3 ALA 63 - C PRO 412 2.50 7 0.14 0.56 + ++ + * ++ VdW C ALA 63 - N LEU 65 2.95 7 0.15 0.41 ++ + * + + + VdW C ALA 63 - H LEU 65 2.45 7 0.14 0.49 ++ + + + + * VdW O ALA 63 - C GLN 64 2.80 8 0.18 0.42 ++ ++ + +*+ VdW O ALA 63 - N LEU 65 2.75 8 0.21 0.70 ++ + * + +++ VdW O ALA 63 - N ARG 66 2.75 11 0.20 0.53 + ++ +*++ + ++ + VdW O ALA 63 - H ARG 66 1.80 6 0.13 0.41 + + +* + + VdW O ALA 63 - CG ARG 66 2.90 12 0.20 0.50 + + +++ ++ + +*+ + VdW O ALA 63 - HG3 ARG 66 2.30 9 0.21 0.59 + + +* + +++ + VdW O ALA 63 - CD ARG 66 2.90 13 0.25 0.56 +++++++ ++ +* ++ VdW O ALA 63 - HD2 ARG 66 2.30 6 0.12 0.45 + * + + + + VdW CB LEU 65 - HG2 GLN 91 2.60 10 0.20 0.49 ++* ++++ + ++ VdW HB3 LEU 65 - CD GLN 91 2.50 8 0.16 0.36 + ++ *+ + ++ VdW HB3 LEU 65 - OE1 GLN 91 2.30 6 0.14 0.44 +* + + + + VdW CD1 LEU 65 - C LEU 65 3.10 12 0.26 0.53 +* + ++ +++++ + + VdW CD1 LEU 65 - N ARG 66 3.05 17 0.37 0.58 +++++ +++ +*+++++++ VdW CD1 LEU 65 - H ARG 66 2.55 6 0.19 0.90 + + + *++ VdW HD11 LEU 65 - N ARG 66 2.45 6 0.12 0.51 * + + + + + VdW HD13 LEU 65 - N ARG 66 2.45 10 0.18 0.56 *++ ++ ++ + ++ VdW CD2 LEU 65 - CG GLN 91 3.20 17 0.29 0.44 ++++++ ++++++++*+ + VdW CD2 LEU 65 - HG2 GLN 91 2.60 7 0.19 0.54 +++ *+ ++ VdW HD22 LEU 65 - CG GLN 91 2.60 6 0.11 0.45 + ++ *+ + VdW O LEU 65 - HB3 CYS 69 2.30 7 0.16 0.73 ++++ ++ * VdW O LEU 65 - SG CYS 69 3.10 12 0.46 1.20 + + ++ ++++++ +* VdW HA ARG 66 - SG CYS 69 2.80 7 0.15 0.49 + + + ++* + VdW HG2 ARG 66 - C ARG 66 2.50 7 0.12 0.48 + + * + + + + VdW CD ARG 66 - N GLU 67 3.05 7 0.14 0.40 + + * + + + + VdW CG GLU 67 - C GLU 67 2.90 7 0.16 0.24 ++ + ++ * + VdW CG GLU 67 - N LEU 68 3.05 7 0.11 0.39 ++ + + *+ + VdW HA LEU 68 - CD1 LEU 68 2.60 9 0.13 0.38 + * + + ++ ++ + VdW CB CYS 69 - CH2 TRP 72 3.20 16 0.28 0.56 ++++ + ++++ ++ *++++ VdW HB2 CYS 69 - CZ2 TRP 72 2.60 6 0.14 0.67 ++ + ++ * VdW HB2 CYS 69 - CH2 TRP 72 2.60 17 0.32 0.68 ++++ +++ + ++++*++++ VdW SG CYS 69 - C CYS 69 3.10 8 0.12 0.30 ++ + ++++ * VdW SG CYS 69 - N ARG 70 3.25 14 0.48 0.84 ++++ + +++*++ ++ + VdW SG CYS 69 - H ARG 70 2.75 19 0.59 0.95 *+++ +++++++++++++++ VdW SG CYS 69 - CZ3 TRP 72 3.40 6 0.11 0.39 + + *+ + + VdW SG CYS 69 - CH2 TRP 72 3.40 10 0.21 0.63 ++ +++ +* + + + VdW SG CYS 69 - CD2 LEU 387 3.40 6 0.13 0.45 + + + + * + VdW C CYS 69 - N GLN 71 2.95 15 0.28 0.46 ++ ++ + +++ *++++++ VdW C CYS 69 - H GLN 71 2.45 11 0.21 0.50 + + +++ * +++++ VdW C CYS 69 - CE3 TRP 72 3.10 19 0.35 0.46 *+ +++++++++++++++++ VdW C CYS 69 - CZ3 TRP 72 3.10 18 0.35 0.55 ++++++ +++++ ++++*++ VdW O CYS 69 - C ARG 70 2.80 19 0.35 0.47 ++ +++*+++++++++++++ VdW O CYS 69 - N GLN 71 2.75 20 0.52 0.80 +++++++++++++*++++++ VdW O CYS 69 - CD2 TRP 72 2.90 12 0.22 0.46 ++*+ + ++++ + + + VdW O CYS 69 - CE3 TRP 72 2.90 20 0.78 1.03 +++++++++*++++++++++ VdW O CYS 69 - HE3 TRP 72 2.30 11 0.24 0.55 ++ +++++ + + * + VdW O CYS 69 - CZ3 TRP 72 2.90 10 0.22 0.61 ++ + + *++ ++ + VdW HA ARG 70 - CG LEU 73 2.60 10 0.20 0.65 + + ++ ++++ +* VdW HA ARG 70 - HG LEU 73 2.00 8 0.15 0.41 + ++ +++ +* VdW HA ARG 70 - CD2 LEU 73 2.60 9 0.25 0.72 +* + + + +++ + VdW HB2 ARG 70 - CD1 LEU 387 2.60 6 0.11 0.53 ++ +* + + VdW CG ARG 70 - HH12 ARG 70 2.55 6 0.13 1.01 +* + + + + VdW CZ ARG 70 - HA PRO 375 2.60 8 0.19 0.64 ++ ++ + + *+ VdW CZ ARG 70 - CB PRO 375 3.20 6 0.10 0.36 * + + + + + VdW CZ ARG 70 - HB3 PRO 375 2.60 7 0.17 0.62 + + ++ + * + VdW NH1 ARG 70 - HB3 PRO 375 2.50 7 0.13 0.62 ++ + + + * + VdW NH1 ARG 70 - HA LYS 380 2.50 6 0.14 0.61 + + + + + * VdW NH2 ARG 70 - HA PRO 375 2.50 9 0.22 0.73 ++ * + + ++++ VdW C ARG 70 - H TRP 72 2.45 17 0.28 0.44 +++++ + *++++++++++ VdW O ARG 70 - N TRP 72 2.75 7 0.15 0.46 * ++ + + + + VdW O ARG 70 - H TRP 72 1.80 7 0.12 0.44 * ++ + + + + VdW O ARG 70 - HG3 PRO 375 2.30 7 0.15 0.44 +++ + * + + VdW O GLN 71 - CB TRP 72 2.90 12 0.22 0.35 ++ + + * + + +++++ VdW O GLN 71 - HB3 TRP 72 2.30 19 0.42 0.62 ++++++ +*+++++++++++ VdW N TRP 72 - HE3 TRP 72 2.45 17 0.28 0.38 ++ +++ ++++*++ +++++ VdW CA TRP 72 - CE3 TRP 72 3.20 9 0.15 0.24 + ++ + ++++* VdW CA TRP 72 - HE3 TRP 72 2.60 10 0.16 0.29 + + ++ + ++++* VdW CG TRP 72 - O TRP 72 2.90 20 0.41 0.52 ++++*+++++++++++++++ VdW CD2 TRP 72 - C TRP 72 3.10 20 0.35 0.42 +++++++*++++++++++++ VdW CD2 TRP 72 - O TRP 72 2.90 19 0.46 0.70 ++++++ ++++++++*++++ VdW CE3 TRP 72 - C TRP 72 3.10 19 0.55 0.75 ++++++ +++++++++*+++ VdW CE3 TRP 72 - O TRP 72 2.90 11 0.29 0.73 + + + ++ * +++++ VdW CE3 TRP 72 - HB3 LEU 73 2.60 6 0.16 0.51 * + ++ + + VdW HE3 TRP 72 - C TRP 72 2.50 16 0.44 0.84 ++*+ + +++++ + +++++ VdW HE3 TRP 72 - N LEU 73 2.45 11 0.21 0.51 * + + ++ + +++++ VdW CZ3 TRP 72 - CB LEU 73 3.20 7 0.17 0.31 +* + + + + + VdW CZ3 TRP 72 - HB3 LEU 73 2.60 17 0.42 0.75 ++++ + +++++++ ++*++ VdW CZ3 TRP 72 - CG LEU 73 3.20 6 0.12 0.29 + + * ++ + VdW CZ2 TRP 72 - HG LEU 86 2.60 6 0.10 0.49 + + * + + + VdW HZ3 TRP 72 - CG LEU 73 2.60 12 0.21 0.44 ++ ++ + *+ + ++ ++ VdW HZ3 TRP 72 - CD2 LEU 73 2.60 12 0.24 0.55 ++ + ++ +* ++++ + VdW CH2 TRP 72 - HA LEU 87 2.60 12 0.21 0.57 ++++ + +* + + +++ VdW HH2 TRP 72 - CA LEU 87 2.60 13 0.22 0.44 ++*+ + ++++ + +++ VdW HH2 TRP 72 - HA LEU 87 2.00 20 0.58 0.79 +++++++*++++++++++++ VdW HA LEU 73 - HG2 MET 83 2.00 6 0.13 0.51 + * + + + + VdW CB LEU 73 - H ARG 74 2.55 6 0.11 0.39 + + + + *+ VdW CD1 LEU 73 - C LEU 73 3.10 8 0.19 0.58 *+ ++ + ++ + VdW CD1 LEU 73 - N ARG 74 3.05 10 0.24 0.62 +++ *+ ++ ++ + VdW O LEU 73 - CB ARG 74 2.90 7 0.14 0.57 + + + ++ +* VdW O LEU 73 - C ARG 74 2.80 10 0.22 0.48 + + + +*+ + + ++ VdW N ARG 74 - HG3 ARG 74 2.45 6 0.09 0.42 + *++ + + VdW HA ARG 74 - CD PRO 75 2.60 19 0.25 0.31 ++++++++ +*+++++++++ VdW HA ARG 74 - HD2 PRO 375 2.00 7 0.15 0.51 + + + + + *+ VdW CB ARG 74 - CG1 VAL 77 3.20 15 0.29 0.51 ++ + ++++ ++* +++++ VdW CB ARG 74 - CG2 VAL 77 3.20 13 0.23 0.55 +++++ + +* +++++ VdW HB2 ARG 74 - CG1 VAL 77 2.60 9 0.17 0.53 + + + + ++ ++* VdW HB2 ARG 74 - CG2 VAL 77 2.60 14 0.30 0.56 ++++ + ++ + ++ ++* + VdW CA PRO 75 - CZ ARG 370 3.20 7 0.15 0.44 * + + + ++ + VdW HA PRO 75 - CZ ARG 370 2.60 10 0.30 0.82 + + * ++++ ++ + VdW HA PRO 75 - NH1 ARG 370 2.50 8 0.20 0.79 + + * + + +++ VdW HA PRO 75 - NH2 ARG 370 2.50 8 0.23 0.68 + + + ++* + + VdW CB PRO 75 - H GLU 76 2.55 10 0.17 0.36 + + + * + +++++ VdW HG2 PRO 75 - H GLU 76 1.95 6 0.13 0.28 + + + * ++ VdW HD2 PRO 75 - HA ARG 374 2.00 9 0.17 0.53 + + + + + + * ++ VdW C PRO 75 - N VAL 77 2.95 16 0.26 0.41 ++++ ++++++ *+ +++ + VdW C PRO 75 - H VAL 77 2.45 17 0.43 0.71 ++++ ++++++ *+ +++++ VdW O PRO 75 - N VAL 77 2.75 13 0.28 0.57 + ++ ++ ++ *+ +++ + VdW O PRO 75 - N ARG 78 2.75 7 0.14 0.31 + + + * ++ + VdW O PRO 75 - H ARG 78 1.80 7 0.11 0.29 + + + * ++ + VdW N VAL 77 - CG1 VAL 77 2.85 14 0.16 0.24 *+ + ++++ ++ +++++ VdW CG2 VAL 77 - C VAL 77 2.90 14 0.22 0.33 *+ + ++++ ++ +++++ VdW O SER 79 - SD MET 83 3.10 6 0.10 0.39 ++ + + * + VdW H LYS 80 - HG2 LYS 80 1.95 15 0.22 0.37 +++ ++++ + + ++*+++ VdW C LYS 80 - HG LEU 84 2.50 6 0.13 0.40 +++ ++ * VdW O LYS 80 - HG LEU 84 2.30 14 0.30 0.60 +++ +++++ +*++++ VdW O MET 83 - C LEU 84 2.80 7 0.18 0.31 + * ++++ + VdW O MET 83 - N LEU 86 2.75 16 0.27 0.44 +++ ++++++*++++++ VdW O MET 83 - CG LEU 86 2.90 7 0.13 0.47 + ++ ++ + * VdW O MET 83 - HG LEU 86 2.30 8 0.16 0.55 + +* + ++ + + VdW O MET 83 - CD1 LEU 86 2.90 8 0.17 0.59 + ++ + ++ + * VdW H LEU 84 - CG LEU 84 2.55 6 0.12 0.32 * + + + ++ VdW H LEU 84 - HG LEU 84 1.95 8 0.17 0.50 + + + +* ++ + VdW HB3 LEU 84 - HA GLU 367 2.00 7 0.12 0.38 + + + *+ ++ VdW CD2 LEU 84 - HB3 ARG 370 2.60 9 0.19 0.56 + + + ++ + *+ + VdW O LEU 84 - HB2 LEU 87 2.30 9 0.20 0.49 * + + +++++ + VdW O GLU 85 - CB LEU 89 2.90 16 0.36 0.63 ++ ++++*+++++ +++ + VdW O GLU 85 - HB2 LEU 89 2.30 16 0.31 0.59 + * +++++++++++ +++ VdW O GLU 85 - HB3 LEU 89 2.30 7 0.17 0.52 * + + +++ + VdW HA LEU 87 - CD2 LEU 87 2.60 7 0.14 0.43 * + + +++ + VdW CA VAL 88 - HB3 GLN 91 2.60 6 0.10 0.40 + + * + ++ VdW HA VAL 88 - HB3 GLN 91 2.00 11 0.23 0.59 + +++ *++ + ++ + VdW CG1 VAL 88 - HB2 PHE 92 2.60 7 0.11 0.49 + *++ ++ + VdW CG2 VAL 88 - C VAL 88 2.90 6 0.09 0.25 + *+ ++ + VdW O VAL 88 - C LEU 89 2.80 7 0.16 0.33 + + + + ++ * VdW O VAL 88 - N PHE 92 2.75 9 0.20 0.39 +++ ++++* + VdW O VAL 88 - H PHE 92 1.80 8 0.19 0.39 +++ ++++* VdW CA LEU 89 - CD2 LEU 89 3.00 6 0.09 0.26 + + + ++ * VdW CA LEU 89 - CD PRO 112 3.20 15 0.28 0.44 ++++++ +++++ *+++ VdW HA LEU 89 - CD2 LEU 89 2.60 8 0.16 0.46 + + + ++ ++ * VdW HA LEU 89 - CD PRO 112 2.60 20 0.54 0.77 ++++++++++++++++*+++ VdW HA LEU 89 - HD2 PRO 112 2.00 20 0.49 0.65 ++++++++++++++++*+++ VdW HB3 LEU 89 - H GLU 90 1.95 10 0.19 0.35 + + + ++ ++ + +* VdW O LEU 89 - HA SER 111 2.30 10 0.25 0.67 ++++++ ++ * + VdW O LEU 89 - CD PRO 112 2.90 16 0.30 0.50 ++++ + *+++ ++++++ + VdW O LEU 89 - HD3 PRO 112 2.30 19 0.56 0.81 +++++++++++++*++++ + VdW CG GLN 91 - C GLN 91 2.90 20 0.23 0.24 +++++++++++++*++++++ VdW CG GLN 91 - N PHE 92 3.05 17 0.23 0.31 +++++++++++ ++++ * + VdW HG3 GLN 91 - N PHE 92 2.45 20 0.34 0.49 +++++++*++++++++++++ VdW CD GLN 91 - C GLN 91 3.00 12 0.21 0.34 + ++++* + + + + ++ VdW HE21 GLN 91 - HA PHE 92 1.95 17 0.26 0.37 +++++ ++++ +*++++++ VdW CB PHE 92 - HB3 PRO 112 2.60 20 0.46 0.61 *+++++++++++++++++++ VdW CG PHE 92 - HB3 PRO 112 2.60 18 0.30 0.42 ++++ + ++++++*++++++ VdW CG PHE 92 - HG3 GLN 359 2.60 20 0.43 0.55 *+++++++++++++++++++ VdW CD1 PHE 92 - C PHE 92 3.10 11 0.20 0.43 +++ + ++ ++ + *+ VdW CD1 PHE 92 - O PHE 92 2.90 11 0.16 0.39 +++ + +* ++ + ++ VdW CD1 PHE 92 - CB ALA 95 3.20 6 0.12 0.31 + + + + +* VdW CD1 PHE 92 - HB3 PRO 112 2.60 6 0.10 0.48 + + + * + + VdW CD1 PHE 92 - HA GLN 359 2.60 9 0.16 0.43 * ++++ + + + + VdW CD1 PHE 92 - CG GLN 359 3.20 11 0.26 0.64 *++ + ++ ++ + ++ VdW CD1 PHE 92 - HG3 GLN 359 2.60 11 0.44 0.95 *++ + ++ ++ + ++ VdW HD1 PHE 92 - C PHE 92 2.50 11 0.26 0.61 +++ + ++ ++ + *+ VdW HD1 PHE 92 - O PHE 92 2.30 11 0.22 0.48 +++ + +* ++ + ++ VdW CE1 PHE 92 - CB ALA 95 3.20 11 0.29 0.60 +++ + ++ ++ + +* VdW CE1 PHE 92 - HB2 ALA 95 2.60 7 0.13 0.49 + * + + ++ + VdW CE1 PHE 92 - O ALA 95 2.90 9 0.14 0.37 ++ + ++ + * ++ VdW CE1 PHE 92 - CA GLN 359 3.20 9 0.22 0.56 + ++++ + + * + VdW CE1 PHE 92 - HA GLN 359 2.60 9 0.37 0.93 + ++++ + + * + VdW CE1 PHE 92 - CG GLN 359 3.20 11 0.27 0.59 +++ + +* ++ + ++ VdW CE1 PHE 92 - HG3 GLN 359 2.60 11 0.29 0.68 +++ + +* ++ + ++ VdW CE1 PHE 92 - CD GLN 359 3.10 11 0.32 0.68 +++ * ++ ++ + ++ VdW HE1 PHE 92 - O ALA 95 2.30 11 0.18 0.40 +++ + ++ ++ + +* VdW HE1 PHE 92 - CD GLN 359 2.50 9 0.15 0.33 ++ + +* ++ + + VdW CZ PHE 92 - CB ALA 95 3.20 18 0.32 0.48 +++++++*++++++++ ++ VdW CZ PHE 92 - HB1 ALA 95 2.60 9 0.19 0.57 + + +*+ + ++ + VdW CZ PHE 92 - HB3 ALA 95 2.60 8 0.15 0.47 + ++ + +++ * VdW CZ PHE 92 - N GLN 359 3.05 20 0.41 0.52 *+++++++++++++++++++ VdW CZ PHE 92 - CA GLN 359 3.20 20 0.41 0.56 +++++++++++*++++++++ VdW CZ PHE 92 - HA GLN 359 2.60 18 0.43 0.63 ++++++ ++++*++ +++++ VdW HZ PHE 92 - CB PRO 358 2.60 14 0.24 0.37 ++++* +++ +++++ + VdW HZ PHE 92 - HB2 PRO 358 2.00 20 0.55 0.74 ++++*+++++++++++++++ VdW CE2 PHE 92 - CB ALA 95 3.20 9 0.25 0.72 + *+++ + + + + VdW CE2 PHE 92 - HB3 ALA 95 2.60 7 0.15 0.53 + + ++ * + + VdW CE2 PHE 92 - O ALA 95 2.90 7 0.11 0.43 +++ + * + + VdW CE2 PHE 92 - CA GLN 359 3.20 11 0.28 0.59 +*+ + ++ ++ + ++ VdW CE2 PHE 92 - HA GLN 359 2.60 11 0.48 0.94 +++ + *+ ++ + ++ VdW CE2 PHE 92 - CG GLN 359 3.20 9 0.24 0.59 + ++++ * + + + VdW CE2 PHE 92 - HG3 GLN 359 2.60 9 0.25 0.71 + ++++ * + + + VdW CE2 PHE 92 - CD GLN 359 3.10 9 0.27 0.69 + +*++ + + + + VdW HE2 PHE 92 - O ALA 95 2.30 9 0.14 0.40 + ++++ * + + + VdW HE2 PHE 92 - CD GLN 359 2.50 9 0.13 0.39 + ++*+ + + + + VdW CD2 PHE 92 - C PHE 92 3.10 9 0.15 0.39 + ++++ + * + + VdW CD2 PHE 92 - O PHE 92 2.90 7 0.12 0.32 +* + + + + + VdW CD2 PHE 92 - CB ALA 95 3.20 9 0.12 0.40 + *+++ + + + + VdW CD2 PHE 92 - HB3 PRO 112 2.60 9 0.15 0.38 ++ *+ ++ + ++ VdW CD2 PHE 92 - HA GLN 359 2.60 11 0.20 0.47 *++ + ++ ++ + ++ VdW CD2 PHE 92 - CG GLN 359 3.20 9 0.23 0.66 + *+++ + + + + VdW CD2 PHE 92 - HG3 GLN 359 2.60 9 0.37 1.00 + *+++ + + + + VdW HD2 PHE 92 - C PHE 92 2.50 9 0.21 0.53 + ++++ + * + + VdW HD2 PHE 92 - O PHE 92 2.30 9 0.17 0.45 + +*++ + + + + VdW C PHE 92 - N GLY 94 2.95 20 0.49 0.53 +++*++++++++++++++++ VdW C PHE 92 - H GLY 94 2.45 20 0.55 0.62 +++*++++++++++++++++ VdW O PHE 92 - C LEU 93 2.80 20 0.40 0.44 +++++++++++++++++*++ VdW O PHE 92 - N GLY 94 2.75 20 0.87 0.96 +++*++++++++++++++++ VdW O PHE 92 - N ALA 95 2.75 20 0.54 0.60 ++++++++*+++++++++++ VdW O PHE 92 - H ALA 95 1.80 17 0.30 0.46 ++++++++*+ ++++++ + VdW HG LEU 93 - HA2 GLY 110 2.00 6 0.14 0.46 ++ +* + + VdW O GLY 94 - N LEU 96 2.75 20 0.64 0.73 ++++++*+++++++++++++ VdW O GLY 94 - H LEU 96 1.80 19 0.41 0.53 +++++++++++ +++++++* VdW O ALA 95 - HG LEU 96 2.30 7 0.13 0.37 + * +++ + + VdW O ALA 95 - CD1 LEU 96 2.90 7 0.13 0.48 + +* ++ ++ VdW HA LEU 96 - CD1 LEU 96 2.60 9 0.13 0.36 + ++ +++ +*+ VdW HA LEU 96 - CD PRO 97 2.60 20 0.28 0.29 +++++++++++++*++++++ VdW HB3 LEU 96 - CB GLN 101 2.60 9 0.16 0.34 + +* +++ +++ VdW HB3 LEU 96 - HB2 GLN 101 2.00 16 0.26 0.43 ++++ + ++++++++++* VdW CD1 LEU 96 - HE22 GLN 359 2.55 8 0.18 0.31 + + + *++ + + VdW HG2 PRO 97 - CG1 ILE 100 2.60 7 0.11 0.31 + * +++ + + VdW HG2 PRO 97 - HG12 ILE 100 2.00 9 0.16 0.31 +++ ++ ++* + VdW HD2 PRO 97 - CD1 ILE 100 2.60 10 0.21 0.28 +++*+ + + ++ + VdW O PRO 97 - CB GLN 101 2.90 20 0.43 0.49 +++++++*++++++++++++ VdW O PRO 97 - HB2 GLN 101 2.30 13 0.23 0.34 + ++ ++*+++++++ VdW O PRO 97 - HB3 GLN 101 2.30 6 0.13 0.23 +++ * + + VdW H ILE 100 - CG1 ILE 100 2.55 10 0.14 0.29 + + ++ +++ ++* VdW H ILE 100 - HG12 ILE 100 1.95 6 0.14 0.26 +++ +* + VdW CG1 VAL 104 - C VAL 104 2.90 13 0.19 0.32 ++++ + + ++ ++++* VdW CG2 VAL 104 - HG3 PRO 109 2.60 6 0.11 0.37 ++ ++ * + VdW N ARG 108 - CD PRO 109 3.05 7 0.14 0.36 + + ++ ++ * VdW HA SER 111 - CD PRO 112 2.60 20 0.28 0.29 +*++++++++++++++++++ VdW CA PRO 112 - CB GLN 359 3.20 14 0.25 0.47 ++++ +++++ ++++* VdW CA PRO 112 - HB3 GLN 359 2.60 16 0.27 0.55 ++++ + +++++ ++++*+ VdW CA PRO 112 - CG GLN 359 3.20 17 0.29 0.41 +* + ++++++++++++++ VdW HA PRO 112 - CB GLN 359 2.60 18 0.41 0.75 ++++ +++++++ ++++*++ VdW HA PRO 112 - CG GLN 359 2.60 20 0.74 0.88 ++*+++++++++++++++++ VdW HA PRO 112 - HG2 GLN 359 2.00 20 0.40 0.58 +++++++*++++++++++++ VdW HA PRO 112 - HG3 GLN 359 2.00 8 0.17 0.33 * +++ ++ ++ VdW CG PRO 112 - HA ALA 363 2.60 20 0.42 0.53 *+++++++++++++++++++ VdW HG2 PRO 112 - CA ALA 363 2.60 16 0.25 0.33 ++++ +++ +++ + +++*+ VdW HG2 PRO 112 - HA ALA 363 2.00 19 0.43 0.60 ++++++++ +++++++++*+ VdW HG2 PRO 112 - CB ALA 363 2.60 6 0.16 0.36 ++ *+ + + VdW C PRO 112 - CB GLN 359 3.10 8 0.18 0.25 * +++ ++ + + VdW C PRO 112 - HB3 GLN 359 2.50 20 0.56 0.64 ++++++++++++++*+++++ VdW C PRO 112 - CB ALA 363 3.10 12 0.21 0.33 + ++ * ++ ++++++ VdW O PRO 112 - CA GLN 359 2.90 9 0.17 0.32 + * + + ++ + ++ VdW O PRO 112 - CB GLN 359 2.90 16 0.29 0.48 +++*+++++ +++++ ++ VdW O PRO 112 - HB3 GLN 359 2.30 20 0.52 0.77 +++++++*++++++++++++ VdW O PRO 112 - C GLN 359 2.80 20 0.81 0.95 +++++++++*++++++++++ VdW O PRO 112 - O GLN 359 2.60 20 0.68 0.87 ++++++++++++++++++*+ VdW O PRO 112 - N GLU 360 2.75 9 0.17 0.39 ++ +*++ ++ + VdW N GLU 113 - HG2 GLU 113 2.45 6 0.09 0.33 * + + + + + VdW N GLU 113 - HG3 GLU 113 2.45 12 0.21 0.42 + + +++ +++* + ++ VdW HG2 GLU 113 - CB ALA 363 2.60 7 0.11 0.36 + + + +++ * VdW HB3 ALA 115 - CG GLN 359 2.60 10 0.17 0.43 + +++ + * +++ + VdW HB3 ALA 115 - HG2 GLN 359 2.00 11 0.24 0.51 + ++++ + + +++ * VdW N ALA 116 - HB2 GLN 359 2.45 20 0.41 0.50 +++++++*++++++++++++ VdW H ALA 116 - CB GLN 359 2.55 20 0.28 0.35 +++++*++++++++++++++ VdW H ALA 116 - HB2 GLN 359 1.95 19 0.26 0.34 +++++++++++ ++++++*+ VdW CA ALA 116 - HB2 GLN 359 2.60 20 0.36 0.46 +++++++*++++++++++++ VdW HA ALA 116 - CG1 VAL 119 2.60 7 0.13 0.39 +++ * + + + VdW CB ALA 116 - CB GLN 359 3.20 15 0.21 0.32 +++ +++++*+++++ + VdW CB ALA 116 - HB2 GLN 359 2.60 19 0.42 0.53 ++++++++++++++*++++ VdW CB ALA 116 - N GLU 360 3.05 19 0.30 0.46 +++++*+++++++++ ++++ VdW CB ALA 116 - H GLU 360 2.55 20 0.59 0.69 +++++++++++++++++++* VdW HB2 ALA 116 - N GLN 359 2.45 6 0.07 0.31 + + + + +* VdW HB2 ALA 116 - H GLU 360 1.95 6 0.13 0.46 * + + + ++ VdW HB3 ALA 116 - H GLU 360 1.95 10 0.22 0.55 +++ +* +++ + + VdW N VAL 119 - CG1 VAL 119 2.85 10 0.14 0.24 +++ + + + ++ + * VdW H VAL 119 - CG1 VAL 119 2.55 13 0.26 0.45 +++ + ++++ ++++ * VdW CG2 VAL 119 - C VAL 119 2.90 13 0.19 0.33 +++ + ++++ ++++ * VdW CG2 VAL 119 - N ASP 120 3.05 9 0.16 0.37 *++ + + + +++ VdW HA ARG 344 - HB3 PHE 347 2.00 8 0.18 0.30 + + ++ * ++ + VdW CG PHE 347 - C PHE 347 2.90 13 0.20 0.24 + + ++++++ +++ *+ VdW CE1 PHE 347 - HB3 CYS 369 2.60 7 0.13 0.37 ++ ++ * + + VdW CZ PHE 347 - CB GLN 391 3.20 11 0.22 0.39 + +++++ ++ * ++ VdW CZ PHE 347 - HB2 GLN 391 2.60 20 0.46 0.60 ++++++++*+++++++++++ VdW HZ PHE 347 - O LEU 387 2.30 8 0.21 0.42 + ++ ++ + +* VdW CB PHE 350 - O ALA 361 2.90 6 0.19 0.61 + * + ++ + VdW HB3 PHE 350 - O ALA 361 2.30 18 0.37 0.82 ++++ *++++++++ +++++ VdW CG PHE 350 - O ALA 361 2.90 10 0.18 0.56 + +++ * +++ ++ VdW CD1 PHE 350 - C ALA 361 3.10 7 0.21 0.73 + + *+++ + VdW CD1 PHE 350 - O ALA 361 2.90 6 0.19 0.87 + + ++* + VdW HD1 PHE 350 - C ALA 361 2.50 6 0.14 0.56 + + ++ * + VdW HD1 PHE 350 - O ALA 361 2.30 6 0.18 0.87 + ++++ * VdW CE1 PHE 350 - O GLU 360 2.90 15 0.38 0.75 +++++ +*++++ ++ ++ VdW CE1 PHE 350 - CG GLN 364 3.20 6 0.12 0.47 + + + + *+ VdW CE1 PHE 350 - HG3 GLN 364 2.60 8 0.17 0.51 *+ + ++ + + + VdW HE1 PHE 350 - N ALA 363 2.45 6 0.19 0.88 + +*++ + VdW CZ PHE 350 - CA GLU 360 3.20 6 0.14 0.36 * +++ + + VdW CZ PHE 350 - C GLU 360 3.10 18 0.39 0.51 ++++ +++++++*+ +++++ VdW CZ PHE 350 - O GLU 360 2.90 20 0.53 0.71 ++++*+++++++++++++++ VdW CZ PHE 350 - H GLN 364 2.55 6 0.11 0.36 ++ * + + + VdW CZ PHE 350 - HG3 GLN 364 2.60 13 0.29 0.53 ++ ++ ++*+ ++++ + VdW CE2 PHE 350 - C GLU 360 3.10 8 0.22 0.57 + + + +++ *+ VdW CE2 PHE 350 - O GLU 360 2.90 14 0.32 0.67 + + ++ + ++*+++ +++ VdW CE2 PHE 350 - N ALA 363 3.05 7 0.18 0.51 ++++ + + * VdW CE2 PHE 350 - H ALA 363 2.55 8 0.18 0.52 + * + + ++ ++ VdW CE2 PHE 350 - CB ALA 363 3.20 6 0.10 0.32 * + ++ ++ VdW CE2 PHE 350 - N GLN 364 3.05 6 0.09 0.34 + ++ * + + VdW CE2 PHE 350 - H GLN 364 2.55 8 0.13 0.39 ++ + *+ + + + VdW HE2 PHE 350 - N ALA 363 2.45 11 0.34 0.89 +++++ ++ + * ++ VdW HE2 PHE 350 - H ALA 363 1.95 13 0.27 0.50 +++++ ++ +++ * ++ VdW HE2 PHE 350 - CA ALA 363 2.60 6 0.14 0.46 + ++ + + * VdW HE2 PHE 350 - CB ALA 363 2.60 8 0.20 0.54 + + + ++ + *+ VdW CD2 PHE 350 - C ALA 361 3.10 13 0.37 0.70 +++++ +* +++ + ++ VdW CD2 PHE 350 - O ALA 361 2.90 12 0.34 0.97 ++ +* ++ +++ + ++ VdW CD2 PHE 350 - H ALA 363 2.55 6 0.12 0.50 + + *+ ++ VdW HD2 PHE 350 - C ALA 361 2.50 11 0.27 0.63 ++++ ++ *+ + ++ VdW HD2 PHE 350 - O ALA 361 2.30 13 0.34 0.73 +++++ +* +++ + ++ VdW HA HIS 351 - C GLY 394 2.50 19 0.32 0.40 +++*+++++++++++++++ VdW C HIS 351 - CB ALA 361 3.10 7 0.17 0.35 * + + + + + + VdW N TYR 352 - CB ALA 361 3.05 12 0.21 0.37 +++++++ + + + + * VdW N TYR 352 - O GLY 394 2.75 7 0.15 0.25 + + + + + * + VdW H TYR 352 - C GLY 394 2.45 7 0.16 0.33 ++ + + + +* VdW H TYR 352 - H LEU 396 1.90 17 0.32 0.49 +++++++++ *+++++ ++ VdW HA TYR 352 - O GLY 357 2.30 19 0.35 0.49 ++++ +++*+++++++++++ VdW CB TYR 352 - HA PRO 358 2.60 20 0.43 0.58 +++++++++++++++++*++ VdW CB TYR 352 - HA ALA 395 2.60 8 0.16 0.28 + + ++ + ++* VdW HB2 TYR 352 - HA PRO 358 2.00 20 0.49 0.65 +++++++++++++++++*++ VdW HB3 TYR 352 - C ALA 395 2.50 20 0.41 0.50 +++++++++++++++++*++ VdW HB3 TYR 352 - N LEU 396 2.45 20 0.59 0.67 +++++*++++++++++++++ VdW CG TYR 352 - CA PRO 358 3.20 18 0.28 0.41 ++++++++ +++++++++* VdW CG TYR 352 - HA PRO 358 2.60 20 0.45 0.70 ++++++++++++++++++*+ VdW CD1 TYR 352 - C TYR 352 3.10 8 0.22 0.62 + + +* + + + + VdW CD1 TYR 352 - C GLY 357 3.10 6 0.11 0.34 + + + * + + VdW CD1 TYR 352 - CA PRO 358 3.20 7 0.12 0.30 +* + + + ++ VdW CD1 TYR 352 - HA PRO 358 2.60 7 0.14 0.34 ++ * + + + + VdW CD1 TYR 352 - CB PRO 358 3.20 7 0.12 0.31 ++ ++ + + * VdW CD1 TYR 352 - HB3 PRO 358 2.60 12 0.23 0.54 +++ + ++ ++ + + *+ VdW HD1 TYR 352 - C TYR 352 2.50 8 0.26 0.71 + + ++ + + + * VdW HD1 TYR 352 - N GLU 353 2.45 8 0.24 0.69 + + ++ * + + + VdW CD2 TYR 352 - C TYR 352 3.10 12 0.32 0.59 +*+ + ++ ++ + + ++ VdW CD2 TYR 352 - C GLY 357 3.10 12 0.18 0.43 +++ * ++ ++ + + ++ VdW CD2 TYR 352 - CA PRO 358 3.20 6 0.09 0.30 +* + + + + VdW CD2 TYR 352 - HB3 PRO 358 2.60 8 0.14 0.46 + + *+ + + + + VdW HD2 TYR 352 - C TYR 352 2.50 12 0.37 0.72 +*+ + ++ ++ + + ++ VdW HD2 TYR 352 - N GLU 353 2.45 12 0.35 0.64 +++ + ++ ++ * + ++ VdW O TYR 352 - C LEU 396 2.80 14 0.23 0.35 ++ +++++++ * ++ ++ VdW O GLU 353 - N GLY 357 2.75 17 0.23 0.34 +++*+++++ ++++++++ VdW CG2 THR 356 - CB GLU 360 3.20 8 0.15 0.34 + + * + ++++ VdW CG2 THR 356 - HB3 GLU 360 2.60 18 0.36 0.60 +++++ +++ ++*+++++++ VdW O THR 356 - CB GLU 360 2.90 7 0.12 0.32 + + * + + + + VdW HG2 PRO 358 - NE2 GLN 359 2.45 18 0.26 0.37 +++++++++++ ++*++++ VdW H GLN 359 - HE21 GLN 359 1.90 20 0.50 0.58 ++++++++++++++*+++++ VdW CB GLN 359 - HE21 GLN 359 2.55 19 0.27 0.31 +++++++++++++++++ *+ VdW HB2 GLN 359 - HE21 GLN 359 1.95 13 0.21 0.30 ++++++ + ++ ++ +* VdW C GLN 359 - H ALA 361 2.45 19 0.38 0.47 ++++++* ++++++++++++ VdW CB ALA 361 - CA ALA 395 3.20 13 0.27 0.48 +++ * + ++++ ++++ VdW CB ALA 361 - HA ALA 395 2.60 20 0.50 0.68 +++++*++++++++++++++ VdW CA LEU 362 - CD1 LEU 362 3.00 6 0.07 0.26 +*+ + ++ VdW CA LEU 362 - CD2 LEU 365 3.20 18 0.36 0.67 +++++ ++++++++++++* VdW CA LEU 362 - HD21 LEU 365 2.60 7 0.12 0.60 ++ + + ++ * VdW HA LEU 362 - CD1 LEU 362 2.60 6 0.10 0.37 +++ + *+ VdW HA LEU 362 - CD2 LEU 365 2.60 17 0.46 0.98 +++++ ++++++ +++++* VdW HA LEU 362 - HD21 LEU 365 2.00 6 0.16 0.62 + * + ++ + VdW HA LEU 362 - HD22 LEU 365 2.00 7 0.21 0.76 ++ ++ + + * VdW HA LEU 362 - HD23 LEU 365 2.00 7 0.15 0.69 + + ++ ++* VdW CB LEU 362 - CD2 LEU 365 3.20 9 0.19 0.47 + + + ++ ++ *+ VdW CD1 LEU 362 - HA PHE 392 2.60 7 0.13 0.66 ++++ * ++ VdW CD1 LEU 362 - CG PHE 392 3.20 7 0.15 0.41 + + +* + ++ VdW CD1 LEU 362 - CD1 PHE 392 3.20 9 0.30 0.78 ++++ + * ++ + VdW CD1 LEU 362 - CE1 PHE 392 3.20 6 0.16 0.66 *++ + + + VdW CD1 LEU 362 - CB ALA 395 3.20 9 0.14 0.34 +++ + ++ + + * VdW HD12 LEU 362 - CG PHE 392 2.60 7 0.14 0.53 * + +++ + + VdW HD12 LEU 362 - CD1 PHE 392 2.60 8 0.20 0.77 +++ + + * + + VdW CD2 LEU 362 - CD2 LEU 365 3.20 10 0.17 0.43 +++++ + *+ + + VdW CD2 LEU 362 - HB2 PHE 392 2.60 7 0.10 0.26 + + +* + + + VdW HD21 LEU 362 - CD1 PHE 392 2.60 6 0.14 0.59 + + + *+ + VdW C LEU 362 - CG LEU 365 3.10 7 0.12 0.31 * + ++ + + + VdW C LEU 362 - HG LEU 365 2.50 11 0.24 0.56 * + ++ + +++ + ++ VdW O LEU 362 - CG LEU 365 2.90 10 0.31 0.75 + +++ + + *+ ++ VdW O LEU 362 - HG LEU 365 2.30 10 0.39 1.02 + +++ + + *+ ++ VdW O LEU 362 - CD1 LEU 365 2.90 6 0.12 0.45 + + +* + + VdW C ALA 363 - N LEU 365 2.95 10 0.20 0.37 + ++*+++ + + + VdW C ALA 363 - H LEU 365 2.45 9 0.17 0.47 + + *++++ + + VdW O ALA 363 - C GLN 364 2.80 6 0.16 0.37 + + *++ + VdW O ALA 363 - N LEU 365 2.75 12 0.23 0.51 + ++*+++ ++++ + VdW O ALA 363 - N ARG 366 2.75 7 0.15 0.45 ++ ++ +* + VdW O ALA 363 - CG ARG 366 2.90 8 0.15 0.47 + ++ +* + ++ VdW O ALA 363 - HG3 ARG 366 2.30 7 0.19 0.70 + ++ +* + + VdW O ALA 363 - CD ARG 366 2.90 10 0.20 0.49 + + ++ + +++ + * VdW O ALA 363 - HD2 ARG 366 2.30 7 0.13 0.54 + + ++ + +* VdW CB LEU 365 - HG2 GLN 391 2.60 6 0.12 0.36 * + ++ + + VdW HB2 LEU 365 - HG2 GLN 391 2.00 9 0.21 0.54 + + * + ++ ++ + VdW HB2 LEU 365 - CD GLN 391 2.50 6 0.12 0.43 + + ++* + VdW HB3 LEU 365 - CD GLN 391 2.50 6 0.12 0.40 * + ++ + + VdW CG LEU 365 - N ARG 366 3.05 7 0.13 0.32 * ++ + + ++ VdW CD1 LEU 365 - C LEU 365 3.10 17 0.34 0.50 ++*++ ++++++ +++++ + VdW CD1 LEU 365 - N ARG 366 3.05 16 0.36 0.61 *++++++++ + + + ++++ VdW HD12 LEU 365 - N ARG 366 2.45 8 0.16 0.52 +* + +++ ++ VdW CD2 LEU 365 - CG GLN 391 3.20 17 0.30 0.48 +++ +*++ +++++ +++++ VdW CD2 LEU 365 - HG2 GLN 391 2.60 7 0.16 0.63 + * + + ++ + VdW HD22 LEU 365 - NE2 GLN 391 2.45 6 0.10 0.37 * + + + ++ VdW HD23 LEU 365 - NE2 GLN 391 2.45 6 0.08 0.29 + * ++ ++ VdW O LEU 365 - CB CYS 369 2.90 7 0.13 0.34 + ++ + * + + VdW O LEU 365 - HB3 CYS 369 2.30 7 0.16 0.61 + * + ++ + + VdW O LEU 365 - SG CYS 369 3.10 12 0.38 1.19 + +++++ +*+ ++ + VdW HG2 ARG 366 - C ARG 366 2.50 8 0.14 0.44 *+ + ++ + ++ VdW CD ARG 366 - C ARG 366 3.10 6 0.09 0.41 + + ++ + * VdW CD ARG 366 - N GLU 367 3.05 6 0.13 0.43 + + ++ * + VdW O ARG 366 - HB2 ARG 370 2.30 6 0.12 0.46 * + + ++ + VdW CG GLU 367 - C GLU 367 2.90 10 0.18 0.24 + * ++++ + + + + VdW CG GLU 367 - N LEU 368 3.05 7 0.13 0.38 +*++++ + VdW CB CYS 369 - CH2 TRP 372 3.20 15 0.28 0.55 ++ +*++ +++++++ ++ VdW HB2 CYS 369 - CZ2 TRP 372 2.60 7 0.17 0.63 ++ + * +++ VdW HB2 CYS 369 - CH2 TRP 372 2.60 15 0.36 0.81 +++ ++++ +++ ++ + *+ VdW SG CYS 369 - C CYS 369 3.10 6 0.11 0.28 + *+ + + + VdW SG CYS 369 - N ARG 370 3.25 15 0.50 0.81 +++ ++++++ ++*+ ++ VdW SG CYS 369 - H ARG 370 2.75 17 0.58 0.98 +++ ++++++++ +++* ++ VdW SG CYS 369 - CH2 TRP 372 3.40 10 0.17 0.62 +++ + + + ++ * + VdW C CYS 369 - N GLN 371 2.95 16 0.26 0.45 ++++++ + +++*++ + ++ VdW C CYS 369 - H GLN 371 2.45 10 0.18 0.51 + + * + + ++ + + + VdW C CYS 369 - CE3 TRP 372 3.10 20 0.35 0.48 +++++++++++++++++*++ VdW C CYS 369 - CZ3 TRP 372 3.10 16 0.34 0.60 ++ +++* ++++++++ ++ VdW O CYS 369 - C ARG 370 2.80 20 0.36 0.47 +++*++++++++++++++++ VdW O CYS 369 - N GLN 371 2.75 20 0.52 0.77 ++++++++++++*+++++++ VdW O CYS 369 - CD2 TRP 372 2.90 10 0.21 0.63 ++ + ++ ++*+ + VdW O CYS 369 - CE3 TRP 372 2.90 20 0.77 1.01 +++++++++*++++++++++ VdW O CYS 369 - HE3 TRP 372 2.30 14 0.23 0.48 ++ ++ ++ +++++ +* + VdW O CYS 369 - CZ3 TRP 372 2.90 12 0.23 0.60 + + + *+++++++ + VdW HA ARG 370 - CG LEU 373 2.60 6 0.14 0.58 + + + *+ + VdW HA ARG 370 - CD2 LEU 373 2.60 11 0.25 0.61 + +++ +*++++ + VdW CG ARG 370 - HH12 ARG 370 2.55 6 0.10 0.47 + * ++ + + VdW C ARG 370 - H TRP 372 2.45 12 0.24 0.47 +* + +++++ ++ + + VdW O ARG 370 - N TRP 372 2.75 8 0.16 0.39 ++ ++* ++ + VdW O GLN 371 - CB TRP 372 2.90 15 0.24 0.37 + ++*+ ++++++++ ++ VdW O GLN 371 - HB3 TRP 372 2.30 18 0.45 0.66 +++ ++*++++++++++ ++ VdW N TRP 372 - HE3 TRP 372 2.45 18 0.31 0.41 ++++ ++*+++++++++ ++ VdW H TRP 372 - HE3 TRP 372 1.95 8 0.17 0.36 ++* ++ +++ VdW CA TRP 372 - HE3 TRP 372 2.60 9 0.16 0.28 + * + + ++++ + VdW CG TRP 372 - O TRP 372 2.90 19 0.40 0.58 +++ *+++++++++++++++ VdW CD2 TRP 372 - C TRP 372 3.10 18 0.35 0.45 +++ *++++++++++++ ++ VdW CD2 TRP 372 - O TRP 372 2.90 18 0.45 0.74 +++ +*+++++++++++ ++ VdW CE3 TRP 372 - C TRP 372 3.10 18 0.54 0.77 +++ +*+++++++++++ ++ VdW CE3 TRP 372 - O TRP 372 2.90 13 0.28 0.80 + +*+ ++++++ + ++ VdW CE3 TRP 372 - HB3 LEU 373 2.60 8 0.18 0.48 + ++ ++ ++ * VdW HE3 TRP 372 - C TRP 372 2.50 17 0.42 0.81 +++ +*++ ++++++++ ++ VdW HE3 TRP 372 - N LEU 373 2.45 9 0.19 0.38 * +++ ++ +++ VdW CZ3 TRP 372 - CB LEU 373 3.20 6 0.17 0.31 + + ++ * + VdW CZ3 TRP 372 - HB3 LEU 373 2.60 19 0.49 0.77 +++++++++++++++*+ ++ VdW HZ3 TRP 372 - CG LEU 373 2.60 8 0.12 0.31 * + + ++ ++ + VdW HZ3 TRP 372 - CD2 LEU 373 2.60 9 0.16 0.53 + +++ ++ + *+ VdW HZ3 TRP 372 - HD22 LEU 373 2.00 6 0.09 0.35 ++ + + * + VdW CH2 TRP 372 - HA LEU 387 2.60 13 0.25 0.54 +++ +++ + +*+++ + VdW HH2 TRP 372 - CA LEU 387 2.60 12 0.26 0.49 + + ++++ + +*++ + VdW HH2 TRP 372 - HA LEU 387 2.00 20 0.62 0.94 +++++++++++++*++++++ VdW H LEU 373 - H ARG 374 1.90 6 0.11 0.35 + +* + + + VdW HA LEU 373 - HG2 MET 383 2.00 6 0.15 0.48 * + + + ++ VdW CD1 LEU 373 - C LEU 373 3.10 7 0.14 0.51 +++ * + + + VdW CD1 LEU 373 - N ARG 374 3.05 6 0.11 0.40 + + + + +* VdW O LEU 373 - C ARG 374 2.80 15 0.29 0.48 ++ *+++ ++++++++ + VdW O LEU 373 - CE MET 383 2.90 6 0.11 0.44 + + + + + * VdW H ARG 374 - CG ARG 374 2.55 6 0.11 0.37 + + * + + + VdW HA ARG 374 - CD PRO 375 2.60 13 0.21 0.30 *++ + +++ + + ++++ VdW CB ARG 374 - CG1 VAL 377 3.20 13 0.27 0.50 ++ + +*+ ++ ++++ + VdW CB ARG 374 - CG2 VAL 377 3.20 11 0.21 0.57 *++ ++++ + + ++ VdW HB2 ARG 374 - CG1 VAL 377 2.60 10 0.21 0.54 ++* + + ++++ + VdW HB2 ARG 374 - CG2 VAL 377 2.60 16 0.34 0.62 +*+++ + ++++ ++++++ VdW CB PRO 375 - H GLU 376 2.55 8 0.15 0.33 ++ + + + * ++ VdW HG2 PRO 375 - H GLU 376 1.95 12 0.20 0.28 + ++ * + ++ +++++ VdW C PRO 375 - N VAL 377 2.95 18 0.30 0.42 ++ +++++++++ +++++*+ VdW C PRO 375 - H VAL 377 2.45 20 0.52 0.74 ++++++++++++++++*+++ VdW O PRO 375 - N VAL 377 2.75 15 0.33 0.61 ++ ++++ + + +++*+++ VdW N VAL 377 - CG1 VAL 377 2.85 15 0.18 0.24 ++++ + +++++*+++ + VdW CG2 VAL 377 - C VAL 377 2.90 16 0.25 0.33 ++++ +++++++*+++ + VdW H LYS 380 - CG LYS 380 2.55 6 0.17 0.27 + * ++ + + VdW H LYS 380 - HG2 LYS 380 1.95 16 0.25 0.42 ++*+++ +++ + +++++ + VdW O LYS 380 - N LEU 384 2.75 10 0.15 0.31 *+ + + + + + + + + VdW O LYS 380 - HG LEU 384 2.30 10 0.20 0.58 + + +* ++ ++ ++ VdW O MET 383 - C LEU 384 2.80 6 0.17 0.41 + +* + + + VdW O MET 383 - N GLU 385 2.75 6 0.10 0.36 + + + + +* VdW O MET 383 - N LEU 386 2.75 12 0.25 0.76 + + + *++++ +++ + VdW O MET 383 - CG LEU 386 2.90 8 0.11 0.31 + + *+ + + ++ VdW O MET 383 - HG LEU 386 2.30 9 0.15 0.38 + + *+ + + + ++ VdW O MET 383 - CD1 LEU 386 2.90 8 0.16 0.45 + + +* + + ++ VdW O LEU 384 - HB2 LEU 387 2.30 6 0.12 0.31 * + ++ ++ VdW O GLU 385 - CB LEU 389 2.90 17 0.36 0.59 +*+++++++ ++ + +++++ VdW O GLU 385 - HB2 LEU 389 2.30 11 0.24 0.66 ++ +++ + + *+++ VdW O GLU 385 - HB3 LEU 389 2.30 13 0.25 0.63 +++++++ * + +++ + VdW H LEU 386 - HG LEU 386 1.95 8 0.13 0.42 * + ++ + + ++ VdW HA LEU 387 - CD2 LEU 387 2.60 6 0.13 0.47 ++ *+ + + VdW HA VAL 388 - HB3 GLN 391 2.00 14 0.23 0.49 +*+++ +++ ++ ++++ VdW CG2 VAL 388 - C VAL 388 2.90 9 0.14 0.32 +*+ ++ ++ + + VdW O VAL 388 - C LEU 389 2.80 9 0.19 0.31 + + + ++* + ++ VdW O VAL 388 - N PHE 392 2.75 14 0.24 0.42 + ++++ +++ ++*++ + VdW O VAL 388 - H PHE 392 1.80 13 0.24 0.43 + ++++ +++ +*++ + VdW CA LEU 389 - CD PRO 412 3.20 14 0.26 0.38 + ++++++* ++++++ VdW HA LEU 389 - CD2 LEU 389 2.60 6 0.12 0.40 + + * ++ + VdW HA LEU 389 - CD PRO 412 2.60 20 0.52 0.71 +++++*++++++++++++++ VdW HA LEU 389 - HD2 PRO 412 2.00 20 0.42 0.58 ++++++++*+++++++++++ VdW HB3 LEU 389 - H GLU 390 1.95 12 0.18 0.31 ++++++ ++ + +*+ VdW O LEU 389 - HA SER 411 2.30 9 0.20 0.41 +* ++ +++ ++ VdW O LEU 389 - CD PRO 412 2.90 18 0.33 0.69 ++++++++++ ++++++ *+ VdW O LEU 389 - HD3 PRO 412 2.30 19 0.64 0.91 +++++++++++++++++ *+ VdW CG GLN 391 - C GLN 391 2.90 20 0.24 0.24 *+++++++++++++++++++ VdW CG GLN 391 - N PHE 392 3.05 15 0.23 0.30 +++++++++ +* ++ + + VdW HG3 GLN 391 - N PHE 392 2.45 19 0.33 0.45 +++++*+++++++++++ ++ VdW CD GLN 391 - C GLN 391 3.00 12 0.22 0.38 ++ ++ ++++ + +* + VdW HE21 GLN 391 - HA PHE 392 1.95 17 0.26 0.34 + ++++++++++++*++ + VdW CB PHE 392 - HB3 PRO 412 2.60 19 0.41 0.54 ++++++++++ +++*+++++ VdW CG PHE 392 - HB3 PRO 412 2.60 16 0.28 0.57 ++++++ +++ ++ +*+ ++ VdW CD1 PHE 392 - C PHE 392 3.10 7 0.13 0.40 ++ + * + + + VdW CD1 PHE 392 - O PHE 392 2.90 6 0.09 0.32 * + + + + + VdW CD1 PHE 392 - CB ALA 395 3.20 7 0.09 0.33 ++ * + + + + VdW CD1 PHE 392 - HB3 PRO 412 2.60 9 0.14 0.38 ++ + + +* + + + VdW HD1 PHE 392 - C PHE 392 2.50 7 0.17 0.55 ++ + * + + + VdW HD1 PHE 392 - O PHE 392 2.30 7 0.13 0.45 ++ + * + + + VdW CE1 PHE 392 - CB ALA 395 3.20 7 0.20 0.71 ++ * + + + + VdW CE1 PHE 392 - O ALA 395 2.90 6 0.08 0.38 +* + + + + VdW HE1 PHE 392 - O ALA 395 2.30 7 0.11 0.38 *+ + + + + + VdW CZ PHE 392 - CB ALA 395 3.20 14 0.27 0.49 ++ +++++++ + +++* VdW CZ PHE 392 - HB1 ALA 395 2.60 11 0.20 0.52 + +* +++ +++++ VdW CE2 PHE 392 - CB ALA 395 3.20 13 0.33 0.59 +*+++ + ++++ + + + VdW CE2 PHE 392 - HB2 ALA 395 2.60 6 0.12 0.49 +++ + * + VdW CE2 PHE 392 - HB3 ALA 395 2.60 9 0.17 0.53 ++ *+++ + + + VdW CE2 PHE 392 - O ALA 395 2.90 7 0.14 0.39 + +* + + + + VdW HE2 PHE 392 - O ALA 395 2.30 12 0.21 0.40 +++++ + ++++ * + VdW CD2 PHE 392 - C PHE 392 3.10 13 0.22 0.40 +++++ + ++++ * + + VdW CD2 PHE 392 - O PHE 392 2.90 13 0.19 0.37 +++++ + ++++ * + + VdW CD2 PHE 392 - CB ALA 395 3.20 10 0.15 0.34 *++ ++++ + + + VdW CD2 PHE 392 - HB3 ALA 395 2.60 6 0.17 0.60 + ++ * + + VdW CD2 PHE 392 - HB3 PRO 412 2.60 7 0.10 0.37 ++ + * + + + VdW HD2 PHE 392 - C PHE 392 2.50 13 0.30 0.58 +++++ + ++++ * + + VdW HD2 PHE 392 - O PHE 392 2.30 13 0.28 0.59 +++++ + ++++ * + + VdW C PHE 392 - N GLY 394 2.95 20 0.48 0.52 ++++++++++++++++++*+ VdW C PHE 392 - H GLY 394 2.45 20 0.54 0.62 ++++++++++++++++++*+ VdW O PHE 392 - C LEU 393 2.80 20 0.39 0.43 ++++++++++++++++*+++ VdW O PHE 392 - N GLY 394 2.75 20 0.86 0.96 *+++++++++++++++++++ VdW O PHE 392 - N ALA 395 2.75 20 0.54 0.61 +++++++++++++++++*++ VdW O PHE 392 - H ALA 395 1.80 18 0.30 0.42 ++++++ + ++++++++++* VdW HG LEU 393 - HA2 GLY 410 2.00 8 0.11 0.29 + + + + * +++ VdW O GLY 394 - N LEU 396 2.75 20 0.64 0.73 +++++++++++++++++*++ VdW O GLY 394 - H LEU 396 1.80 20 0.43 0.65 +++++++++++++++++*++ VdW O ALA 395 - HG LEU 396 2.30 7 0.11 0.35 + ++ + + + * VdW O ALA 395 - CD1 LEU 396 2.90 9 0.15 0.42 *+ ++ ++ + + + VdW HA LEU 396 - CD1 LEU 396 2.60 11 0.16 0.34 ++ ++ ++ +*+ + + VdW HA LEU 396 - CD PRO 397 2.60 20 0.29 0.30 ++++++++++*+++++++++ VdW HB3 LEU 396 - CB GLN 401 2.60 11 0.18 0.33 ++ ++ +* +++ + + VdW HB3 LEU 396 - HB2 GLN 401 2.00 17 0.26 0.36 ++++++++*++++++ + + VdW HG2 PRO 397 - CG1 ILE 400 2.60 8 0.14 0.28 + *++ + ++ + VdW HG2 PRO 397 - HG12 ILE 400 2.00 7 0.15 0.32 ++ + *++ + VdW O PRO 397 - CB GLN 401 2.90 20 0.42 0.49 ++++++++++++++++++*+ VdW O PRO 397 - HB2 GLN 401 2.30 13 0.24 0.36 +++ ++ ++ +++ * ++ VdW H ILE 400 - CG1 ILE 400 2.55 13 0.20 0.28 ++ +++ ++++*+ + + VdW CG1 VAL 404 - C VAL 404 2.90 15 0.21 0.30 ++++++* +++++ ++ + VdW N ARG 408 - CD PRO 409 3.05 7 0.14 0.28 ++ + + + * + VdW HA SER 411 - CD PRO 412 2.60 19 0.26 0.28 ++++++++*++++++ ++++ VdW O SER 411 - HB1 ALA 415 2.30 6 0.10 0.41 + * +++ + VdW N GLU 413 - HG2 GLU 413 2.45 7 0.10 0.34 ++ * ++ + + VdW N GLU 413 - HG3 GLU 413 2.45 11 0.19 0.38 + ++++ +* + ++ + VdW N VAL 419 - CG1 VAL 419 2.85 8 0.12 0.24 + +*+ +++ + VdW H VAL 419 - CG1 VAL 419 2.55 11 0.21 0.45 ++ ++++ + +*+ + VdW CG2 VAL 419 - C VAL 419 2.90 11 0.16 0.33 ++ +*++ + +++ + VdW CG2 VAL 419 - N ASP 420 3.05 9 0.14 0.37 *+ ++++ + + + Angle PSI LEU 45 -52.00 -32.00 15 7.15 13.15 + + + +++++ +++*+++ Angle PSI ARG 48 -34.00 -4.00 9 5.42 14.08 +++ ++++ * + Angle PHI HIS 51 -128.00 -90.00 20 12.82 17.77 +++++++++++++++++*++ Angle PSI HIS 51 99.00 143.00 16 10.40 18.21 + +++++++ ++++*+ ++ Angle PSI TYR 52 120.00 140.00 20 11.53 14.22 *+++++++++++++++++++ Angle PHI ALA 55 -80.00 -58.00 20 14.08 18.95 ++++++++*+++++++++++ Angle PSI THR 56 -15.00 15.00 20 23.96 34.80 +++++++++++++++++*++ Angle PSI PRO 58 -41.00 -31.00 20 15.43 22.40 +++++++*++++++++++++ Angle PHI GLN 59 -77.00 -57.00 9 4.77 8.00 +++ + ++++ * Angle PSI GLU 60 -54.00 -34.00 20 43.48 51.62 +++++++++++++++++++* Angle PHI ALA 61 -72.00 -52.00 20 36.25 49.42 +++++++++*++++++++++ Angle PHI LEU 62 -71.00 -51.00 20 32.03 38.33 ++++++*+++++++++++++ Angle PSI LEU 62 -53.00 -33.00 19 32.01 76.28 ++*++++ ++++++++++++ Angle PHI ALA 63 -76.00 -56.00 15 18.77 61.08 +++*+ +++++++ +++ Angle PSI ALA 63 -48.00 -28.00 20 33.43 47.57 ++++++++++++++++*+++ Angle PHI GLN 64 -78.00 -58.00 18 18.90 41.50 ++ ++++++++++++*+++ Angle PSI GLN 64 -51.00 -31.00 9 6.56 24.98 ++*+ ++ + ++ Angle PSI LEU 65 -52.00 -32.00 9 8.89 38.04 + ++ *++ + + + Angle PHI ARG 66 -76.00 -56.00 8 7.46 27.35 * + + + + + + + Angle PSI ARG 66 -50.00 -30.00 14 12.57 30.06 ++++ ++ ++ *++++ + Angle PHI GLU 67 -79.00 -59.00 20 23.42 56.05 ++++++++++*+++++++++ Angle PSI GLU 67 -50.00 -30.00 9 5.83 23.87 ++ + ++++ +* Angle PHI LEU 68 -74.00 -54.00 12 9.57 39.04 +++++ + + *+++ + Angle PSI LEU 68 -52.00 -32.00 16 12.00 24.10 ++++ + +++ + ++++*++ Angle PHI CYS 69 -76.00 -56.00 20 17.02 33.91 ++++++++++++*+++++++ Angle PSI CYS 69 -50.00 -30.00 20 23.06 36.59 ++++++++++++++++++*+ Angle PHI ARG 70 -73.00 -53.00 20 28.51 46.04 ++++++*+++++++++++++ Angle PSI ARG 70 -51.00 -31.00 7 3.35 13.59 * + + + ++ + Angle PSI GLN 71 -47.00 -17.00 20 60.00 79.62 ++++++++*+++++++++++ Angle PHI GLU 76 -78.00 -58.00 12 6.16 17.59 ++ + ++++*+ ++ + Angle PSI GLU 76 -40.00 -6.00 12 9.11 24.97 ++ + ++++*+ ++ + Angle PHI SER 79 -113.00 -71.00 15 7.84 16.92 ++ +++++*++ +++++ Angle PSI SER 79 155.00 175.00 20 15.48 27.07 +++++++*++++++++++++ Angle PHI LYS 80 -69.00 -49.00 20 20.20 33.82 +++++++++++++++++*++ Angle PSI LYS 80 -48.00 -28.00 20 15.27 25.34 ++++++++++++++++*+++ Angle PHI GLU 81 -73.00 -53.00 11 4.40 9.82 +++ ++ ++ + ++ * Angle PSI GLU 81 -50.00 -30.00 17 9.18 18.32 + +*++++++ ++++++ ++ Angle PHI GLN 82 -76.00 -56.00 19 11.38 17.55 +*+++++++++++++ ++++ Angle PHI MET 83 -75.00 -55.00 19 13.21 21.90 + ++++++++++++++*+++ Angle PSI MET 83 -52.00 -32.00 11 7.13 20.75 ++ ++ + + + + + +* Angle PHI LEU 84 -73.00 -53.00 19 13.85 23.92 ++ ++++*++++++++++++ Angle PSI GLU 85 -54.00 -34.00 9 4.15 12.23 +++ ++ + ++* Angle PHI LEU 86 -74.00 -54.00 11 10.26 23.06 ++++ +++ + ++* Angle PSI LEU 86 -51.00 -31.00 20 18.25 29.54 *+++++++++++++++++++ Angle PHI LEU 87 -77.00 -57.00 8 5.58 24.73 + +*+ + + + + Angle PSI LEU 87 -51.00 -31.00 20 22.24 34.86 +++++++++++++++++*++ Angle PHI VAL 88 -78.00 -58.00 20 45.00 56.04 ++*+++++++++++++++++ Angle PSI VAL 88 -55.00 -35.00 19 21.17 32.89 ++++++++++++++*++ ++ Angle PHI LEU 89 -70.00 -50.00 11 9.13 22.77 + + +++ ++++ * + Angle PSI LEU 89 -57.00 -37.00 20 23.57 34.41 ++++*+++++++++++++++ Angle PSI GLU 90 -52.00 -32.00 20 30.24 36.60 +++++++*++++++++++++ Angle PHI GLN 91 -74.00 -54.00 19 11.68 16.84 ++++++ ++++++++++*++ Angle PSI GLN 91 -46.00 -26.00 20 11.18 19.60 ++++++*+++++++++++++ Angle PHI PHE 92 -74.00 -54.00 15 8.33 12.89 ++++ +++++ +* +++ + Angle PHI LEU 93 -72.00 -52.00 20 32.17 37.51 +++++++++++++++++*++ Angle PSI LEU 93 -49.00 -29.00 10 4.39 6.77 + +++ +++ ++ * Angle PHI GLY 94 -80.00 -56.00 13 5.83 9.73 ++++++++ +++ +* Angle PSI PRO 97 132.20 154.90 20 18.58 20.25 ++++++++++++++++++*+ Angle PSI PRO 98 -46.00 -28.00 20 16.25 20.03 *+++++++++++++++++++ Angle PSI GLU 99 -47.00 -27.00 6 4.23 7.04 + *+ + + + Angle PHI ILE 100 -73.00 -53.00 20 23.21 25.78 +++++++*++++++++++++ Angle PHI ALA 102 -72.00 -52.00 10 3.49 7.32 + + + ++ ++++* Angle PSI PRO 112 -44.00 -28.00 20 27.27 32.48 ++++++++++++++*+++++ Angle PHI GLU 113 -75.00 -55.00 20 24.25 31.94 ++++++++++++++++++*+ Angle PHI GLU 114 -74.00 -54.00 19 14.36 22.29 ++++ ++*++++++++++++ Angle PHI ALA 115 -76.00 -56.00 18 10.00 15.84 *++++ ++++++++++++ + Angle PSI ALA 115 -49.00 -29.00 9 4.79 8.56 + ++ + + *+ + + Angle PHI ALA 116 -73.00 -53.00 20 7.87 10.67 +++++++*++++++++++++ Angle PHI ALA 117 -74.00 -54.00 8 4.49 11.15 * ++ ++ + + + Angle PHI VAL 119 -74.00 -54.00 7 3.70 10.22 +++ * ++ + Angle PHI ASP 120 -69.00 -49.00 9 4.30 12.47 *++ ++ + ++ + Angle PSI LEU 345 -52.00 -32.00 9 5.17 11.01 * + ++ + + + ++ Angle PSI ARG 348 -34.00 -4.00 8 4.54 11.74 + + + + ++ *+ Angle PHI HIS 351 -128.00 -90.00 20 12.24 17.01 ++++++++++++++++*+++ Angle PSI HIS 351 99.00 143.00 19 11.26 17.82 ++++++++++++++ ++*++ Angle PSI TYR 352 120.00 140.00 20 11.72 14.85 +++++++++*++++++++++ Angle PHI ALA 355 -80.00 -58.00 20 14.68 18.73 ++++++++++++*+++++++ Angle PSI ALA 355 -50.00 -30.00 7 3.67 8.18 + +++ + * + Angle PSI THR 356 -15.00 15.00 20 24.60 31.33 +++++++++*++++++++++ Angle PSI PRO 358 -41.00 -31.00 20 14.43 21.76 *+++++++++++++++++++ Angle PHI GLN 359 -77.00 -57.00 11 5.06 8.38 + + +*++ ++ +++ Angle PSI GLU 360 -54.00 -34.00 20 43.24 51.91 +++++++++++++++++*++ Angle PHI ALA 361 -72.00 -52.00 20 36.76 47.38 +++++++++++++++*++++ Angle PHI LEU 362 -71.00 -51.00 20 33.75 42.25 ++++++++++*+++++++++ Angle PSI LEU 362 -53.00 -33.00 18 31.68 70.65 +++++++ ++*+ +++++++ Angle PHI ALA 363 -76.00 -56.00 16 14.69 54.76 +++ *+++ ++++ +++++ Angle PSI ALA 363 -48.00 -28.00 20 36.43 48.25 ++++++++++++++*+++++ Angle PHI GLN 364 -78.00 -58.00 18 16.77 34.67 +++++++++ +++*+++++ Angle PSI GLN 364 -51.00 -31.00 12 7.33 23.69 +++ ++++*+ + + + Angle PSI LEU 365 -52.00 -32.00 9 7.02 29.44 + + ++ + ++ * + Angle PHI ARG 366 -76.00 -56.00 10 7.35 23.08 + + *+ + ++ +++ Angle PSI ARG 366 -50.00 -30.00 14 9.42 25.00 *+ ++ ++++ +++ +++ Angle PHI GLU 367 -79.00 -59.00 15 15.91 28.90 ++ ++ ++++++* ++++ Angle PSI GLU 367 -50.00 -30.00 8 4.37 15.59 + * + ++ + + + Angle PHI LEU 368 -74.00 -54.00 11 7.06 26.70 *++++++ ++ ++ Angle PSI LEU 368 -52.00 -32.00 13 10.64 26.50 + + +* ++++++++ + Angle PHI CYS 369 -76.00 -56.00 19 16.49 28.45 +++++ ++++++++*+++++ Angle PSI CYS 369 -50.00 -30.00 19 20.13 40.94 +++++++* +++++++++++ Angle PHI ARG 370 -73.00 -53.00 20 29.99 47.45 +++*++++++++++++++++ Angle PSI GLN 371 -47.00 -17.00 20 63.59 80.57 *+++++++++++++++++++ Angle PHI GLU 376 -78.00 -58.00 9 4.71 13.73 ++ + ++ ++ + * Angle PSI GLU 376 -40.00 -6.00 10 8.68 27.17 ++ + * + ++++ + Angle PHI SER 379 -113.00 -71.00 13 7.47 14.66 ++++ + +++ +* +++ Angle PSI SER 379 155.00 175.00 17 13.71 31.43 ++ ++++* +++++ +++++ Angle PHI LYS 380 -69.00 -49.00 19 24.12 35.19 +++++++++*+++++++ ++ Angle PSI LYS 380 -48.00 -28.00 20 17.11 24.48 ++*+++++++++++++++++ Angle PHI GLU 381 -73.00 -53.00 6 3.28 8.53 + * + ++ + Angle PSI GLU 381 -50.00 -30.00 15 8.06 17.32 ++ +++*+ ++ + +++++ Angle PHI GLN 382 -76.00 -56.00 14 8.30 21.91 ++ +++ *+ + ++++ ++ Angle PHI MET 383 -75.00 -55.00 18 13.83 20.34 +++ +++++++++ +++++* Angle PSI MET 383 -52.00 -32.00 6 3.92 20.12 + + * + ++ Angle PHI LEU 384 -73.00 -53.00 19 13.11 34.07 +++++++*++++++ +++++ Angle PSI GLU 385 -54.00 -34.00 9 5.28 24.18 + + *+++ +++ Angle PHI LEU 386 -74.00 -54.00 12 12.03 27.22 ++ + *+++ +++++ Angle PSI LEU 386 -51.00 -31.00 20 16.20 26.56 +++++++*++++++++++++ Angle PSI LEU 387 -51.00 -31.00 20 23.42 32.55 +++++++++++++*++++++ Angle PHI VAL 388 -78.00 -58.00 20 46.11 56.36 ++++++++++++++++++*+ Angle PSI VAL 388 -55.00 -35.00 20 17.73 25.65 +++++*++++++++++++++ Angle PHI LEU 389 -70.00 -50.00 18 11.17 20.80 +++++ ++++*++++ ++++ Angle PSI LEU 389 -57.00 -37.00 20 24.77 31.42 ++++++++++++++*+++++ Angle PSI GLU 390 -52.00 -32.00 20 29.74 37.48 +*++++++++++++++++++ Angle PHI GLN 391 -74.00 -54.00 19 11.22 16.84 +*+++++++++++++++ ++ Angle PSI GLN 391 -46.00 -26.00 17 9.53 16.88 ++++++++++++* +++ + Angle PHI PHE 392 -74.00 -54.00 15 8.66 14.36 ++++ + + +++++*+ ++ Angle PHI LEU 393 -72.00 -52.00 20 31.78 36.87 ++++++++++++++++*+++ Angle PSI LEU 393 -49.00 -29.00 7 4.09 6.89 +++ *+ + + Angle PHI GLY 394 -80.00 -56.00 9 5.32 10.32 ++ ++ + + *++ Angle PSI PRO 397 132.20 154.90 20 19.40 21.05 *+++++++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 15.86 19.25 *+++++++++++++++++++ Angle PSI GLU 399 -47.00 -27.00 6 4.60 7.83 *+ +++ + Angle PHI ILE 400 -73.00 -53.00 20 22.67 25.11 ++++++++++++++++*+++ Angle PHI ALA 402 -72.00 -52.00 7 3.57 7.71 + +++ ++ * Angle PHI ARG 403 -73.00 -53.00 8 4.29 6.50 * ++ ++ ++ + Angle PSI PRO 412 -44.00 -28.00 19 24.12 32.16 ++++++++*++++++ ++++ Angle PHI GLU 413 -75.00 -55.00 19 20.56 30.56 ++++++++*++++++ ++++ Angle PHI GLU 414 -74.00 -54.00 20 15.99 22.31 +++++++++++++++*++++ Angle PHI ALA 415 -76.00 -56.00 19 11.37 15.95 +++++++++* +++++++++ Angle PSI ALA 415 -49.00 -29.00 12 5.67 9.12 ++++* +++++ + + Angle PHI ALA 416 -73.00 -53.00 19 7.36 10.65 +++++++++++++++ ++*+ Angle PHI ALA 417 -74.00 -54.00 10 5.36 11.10 ++*+ + ++ + + + Angle PHI VAL 419 -74.00 -54.00 6 3.51 12.48 + + + + * + Angle PHI ASP 420 -69.00 -49.00 8 3.88 7.83 + +* + + + + + 637 violated distance constraints. 729 violated van der Waals constraints. 142 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.49 +/- 0.10 A (0.37..0.76 A) Average heavy atom RMSD to mean : 0.99 +/- 0.14 A (0.78..1.35 A)