Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 594.22 297 0.1517 6.21 496 270.2 1.11 97 9.2593 60.39 2 598.29 286 0.1531 6.08 513 283.4 1.31 98 7.3839 28.73 3 598.52 297 0.1508 5.86 503 288.1 1.41 88 7.9260 38.60 4 600.06 308 0.1525 6.05 516 285.4 1.33 100 7.5426 30.01 5 601.12 286 0.1520 6.02 526 293.1 1.24 94 7.6470 27.95 6 601.76 297 0.1501 5.86 534 295.3 1.31 84 8.1148 37.41 7 601.81 283 0.1524 6.36 509 284.4 1.23 88 7.7564 34.09 8 601.87 304 0.1526 6.00 537 291.3 1.23 97 7.7714 34.64 9 602.87 296 0.1511 5.82 527 292.1 1.33 91 7.8774 42.19 10 603.21 305 0.1510 5.83 526 291.8 1.31 91 7.8738 35.43 11 606.45 288 0.1526 5.83 523 286.1 1.42 91 7.7886 37.79 12 607.38 290 0.1504 5.85 549 294.4 1.35 85 8.1590 40.57 13 607.50 301 0.1523 5.92 520 286.7 1.40 89 8.1626 51.39 14 607.83 291 0.1526 6.13 496 279.3 1.33 90 8.2589 46.36 15 608.14 310 0.1531 6.03 535 292.4 1.27 92 7.4154 28.51 16 608.15 308 0.1546 6.06 529 288.6 1.29 95 7.4199 28.67 17 608.66 294 0.1547 6.19 499 279.9 1.22 80 8.0769 45.14 18 609.25 303 0.1515 5.94 521 288.2 1.42 81 8.3613 43.12 19 610.39 291 0.1533 6.12 497 280.2 1.29 84 8.1000 43.77 20 610.74 305 0.1539 6.22 508 279.5 1.11 92 8.4216 57.35 Ave 604.41 297 0.1523 6.02 518 286.5 1.30 90 7.9658 39.60 +/- 4.52 8 0.0012 0.15 15 6.2 0.09 5 0.4244 9.14 Min 594.22 283 0.1501 5.82 496 270.2 1.11 80 7.3839 27.95 Max 610.74 310 0.1547 6.36 549 295.3 1.42 100 9.2593 60.39 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - HE1 TRP 72 5.50 20 0.62 0.72 ++++++++++*+++++++++ peak 258 Upper H ARG 44 - HD2 ARG 44 5.50 8 0.23 0.41 ++ + + ++ *+ peak 705 Upper H ARG 44 - HD1 TRP 72 4.65 16 0.41 0.56 + *+++++++++ ++ +++ peak 54 Upper HA LEU 45 - QD PHE 47 4.77 8 0.24 0.41 + ++ + + *++ peak 103 Upper H ARG 46 - QD2 LEU 68 4.30 20 0.80 0.97 ++++++++++++++++*+++ peak 668 Upper HB3 PHE 47 - QD2 LEU 68 4.47 7 0.15 0.46 + ++ + + +* peak 2508 Upper QD PHE 47 - QG1 VAL 88 5.50 20 0.55 0.83 +++++++++++++++*++++ peak 2761 Upper QE PHE 47 - QD2 LEU 62 5.50 19 0.70 0.99 ++++++++ ++++++++*++ peak 2310 QD2 LEU 62 - H GLU 67 Upper QE PHE 47 - HG LEU 65 4.46 12 0.25 0.50 * +++++++++ + + peak 317 Upper HZ PHE 47 - HA CYS 69 5.50 9 0.29 0.63 + + +*+ ++++ peak 285 Upper HZ PHE 47 - HA VAL 88 3.37 6 0.23 0.50 + + *+ ++ peak 88 Upper HB2 PHE 50 - QD1 LEU 68 5.17 11 0.31 0.66 + ++ ++++++*+ peak 2013 Upper QD PHE 50 - QD1 LEU 68 3.16 19 0.53 0.72 + +++++++*++++++++++ peak 279 Upper QD PHE 50 - QB ALA 395 3.01 20 6.01 6.36 ++++++*+++++++++++++ peak 8165 Upper QE PHE 50 - QD TYR 52 3.46 20 0.94 1.20 ++++++++*+++++++++++ peak 60 Upper QE PHE 50 - QD1 LEU 65 4.74 13 0.34 0.52 + ++ + +++*++++ + peak 271 Upper QE PHE 50 - QD1 LEU 68 3.94 20 0.95 1.16 +++++++++*++++++++++ peak 269 Upper QE PHE 50 - QB ALA 395 3.33 20 4.05 4.36 ++++++*+++++++++++++ peak 8164 Upper H HIS 51 - QB ALA 95 5.50 20 0.71 0.90 +++*++++++++++++++++ peak 787 Upper HA HIS 51 - QB ALA 95 4.60 20 0.92 1.23 ++++++++++*+++++++++ peak 1718 Upper H TYR 52 - QB ALA 95 3.69 16 0.45 0.75 ++++* +++++++++ ++ peak 1727 Upper H TYR 52 - HG LEU 96 5.22 10 0.60 2.35 ++ ++ ++ *++ + peak 793 Upper HA TYR 52 - QB ALA 95 4.53 12 0.31 0.56 +++*+ +++ ++ ++ peak 1717 Upper QB TYR 52 - QB ALA 395 5.50 20 1.26 1.37 ++++++*+++++++++++++ peak 8347 Upper QD TYR 52 - H ALA 61 5.17 20 0.93 1.27 ++++++++++++++++++*+ peak 870 Upper QD TYR 52 - QB ALA 395 3.67 20 3.06 3.17 ++++++++++*+++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 2.26 2.67 ++++++++++*+++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 1.58 1.83 ++++++++++*+++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.84 2.10 ++++++++++++*+++++++ peak 8115 Upper QE TYR 52 - HA PRO 58 3.54 20 1.20 1.63 ++++++++++++*+++++++ peak 46 Upper QE TYR 52 - QE PHE 92 5.05 20 1.38 1.73 +++++++++++*++++++++ peak 109 Upper QE TYR 52 - QG1 VAL 119 4.97 11 0.32 0.69 +++ +++++*+ + peak 8240 Upper QE TYR 52 - QG2 VAL 119 3.93 15 0.38 0.71 +++++++++ + ++++ * peak 238 Upper QE TYR 52 - HA THR 356 3.73 17 0.57 1.29 +++*++++++ + ++++ ++ peak 47 Upper QE TYR 52 - QB ALA 395 4.32 20 2.31 2.52 +++++*++++++++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 1.41 1.66 +++++++*++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.70 1.89 ++++++++++++++*+++++ peak 8114 Upper QG GLU 53 - HA GLU 54 5.50 8 0.19 0.57 ++ * + + + ++ peak 2085 Upper HA GLU 54 - HA THR 356 5.44 20 0.65 0.87 ++++++++++*+++++++++ peak 2111 HD3 PRO 58 - HA THR 356 Upper QG GLU 54 - QD1 ILE 100 3.60 20 0.96 1.22 ++++++++++*+++++++++ peak 3876 Upper HA THR 56 - HG3 GLU 60 5.50 12 0.40 0.89 +++++ +++ + *+ + peak 2108 Upper HA THR 56 - QE TYR 352 3.73 19 0.62 1.32 +++++++++++++++* +++ peak 47 Upper HA THR 56 - HA GLU 354 5.44 20 0.66 0.77 +++++++++++*++++++++ peak 2111 HA THR 56 - HD3 PRO 358 Upper HB THR 56 - HG3 GLU 60 4.34 16 0.61 1.07 ++ +++++++ + +++++* peak 2105 Upper H GLY 57 - HB3 GLU 60 4.31 20 1.02 1.46 ++++*+++++++++++++++ peak 822 Upper H GLY 57 - HG3 GLU 60 5.50 18 0.61 1.18 +*+++++++++ + ++++++ peak 824 Upper HA PRO 58 - H LEU 62 5.50 18 0.53 0.76 +++++++++++ ++++++* peak 875 Upper HA PRO 58 - QE PHE 92 4.46 20 0.86 1.20 +++*++++++++++++++++ peak 110 Upper HA PRO 58 - HZ PHE 92 5.19 20 1.02 1.34 +++*++++++++++++++++ peak 116 Upper HB2 PRO 58 - HZ PHE 92 3.63 8 0.43 1.21 *+ + ++ +++ peak 168 Upper HB2 PRO 58 - HA ALA 116 4.31 20 0.85 1.53 +++++*++++++++++++++ peak 8259 Upper HB2 PRO 58 - QB ALA 116 5.23 7 0.21 0.71 ++ + *+ ++ peak 2132 Upper HB2 PRO 58 - H VAL 119 5.50 20 1.52 1.83 +++++++++++++++++*++ peak 2171 Upper HB3 PRO 58 - HA ALA 116 4.17 20 1.27 1.97 +++++++++++++++++++* peak 8252 Upper HB3 PRO 58 - QB ALA 116 4.59 12 0.84 1.58 +++++ *++ + ++ + peak 2138 Upper HB3 PRO 58 - QG2 VAL 119 4.05 8 0.23 0.41 + * + +++++ peak 2140 Upper HG2 PRO 58 - HZ PHE 92 3.74 13 0.32 0.56 *++++ +++ ++ ++ + peak 169 Upper HG2 PRO 58 - HA ALA 116 4.07 20 1.20 1.36 ++++++++++++++*+++++ peak 3890 Upper HG2 PRO 58 - QB ALA 116 3.50 20 1.04 1.25 +++++++*++++++++++++ peak 1621 Upper HD2 PRO 58 - QG2 VAL 119 4.07 17 0.56 0.93 +++++++++++ ++++ *+ peak 1760 Upper HD3 PRO 58 - HE22 GLN 59 5.50 20 1.05 1.35 ++++++*+++++++++++++ peak 2162 Upper HD3 PRO 58 - QG2 VAL 119 4.44 20 0.53 0.94 ++++++++++++++++++*+ peak 2156 Upper H GLN 59 - HE21 GLN 59 4.28 8 0.23 0.53 ++ + + +* + + peak 165 H GLN 59 - HE21 GLN 359 Upper H GLN 59 - HB2 LEU 62 5.50 12 0.35 0.71 +++++ +++++ *+ peak 838 HB2 LEU 62 - H GLN 359 Upper HA GLN 59 - HB3 LEU 62 4.77 15 0.43 0.71 +++++ ++++++ *+ + + peak 1873 HA GLN 59 - HB3 LEU 362 Upper HA GLN 59 - H ALA 63 5.06 11 0.32 0.59 +++ +*++ ++ ++ peak 2216 Upper QB GLN 59 - H ALA 63 5.08 17 0.47 0.77 +++++++*++++ +++ ++ peak 897 Upper HG2 GLN 59 - HE21 GLN 59 3.39 16 0.40 0.61 ++++++ ++++ + ++++ * peak 829 Upper HG3 GLN 59 - QB ALA 116 3.59 13 0.45 0.78 +++++ +++* + ++ + peak 1622 HG3 GLN 59 - QB ALA 416 Upper HG3 GLN 59 - H ALA 363 4.49 20 1.51 2.01 ++++++++++*+++++++++ peak 896 Upper H GLU 60 - H LEU 62 4.89 6 0.23 0.50 * + + + + + peak 175 Upper HB2 GLU 60 - QB ALA 61 3.58 20 0.85 1.04 ++++++++++++++*+++++ peak 1607 Upper HG3 GLU 60 - QB ALA 61 4.09 20 0.96 1.79 ++++++++++*+++++++++ peak 1606 Upper H ALA 61 - H ALA 63 3.31 20 0.68 0.86 ++++++++++++++++++*+ peak 178 Upper HA ALA 61 - HE21 GLN 64 4.38 8 0.18 0.59 + *+++ ++ + peak 185 Upper QB ALA 61 - QD PHE 392 3.23 20 3.71 4.19 +++++++++++++*++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 2.15 2.67 +++++++++++++*++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 7 0.34 1.14 ++ *++ + + peak 884 Upper QD1 LEU 62 - H GLU 113 4.95 7 0.26 0.86 + + +*+++ peak 1274 Upper QD1 LEU 62 - H ALA 115 5.50 18 0.52 1.28 ++++ +++++++ +++*+++ peak 1288 Upper QD1 LEU 62 - H ALA 116 4.72 6 0.26 0.84 + + + + +* peak 978 Upper QD1 LEU 62 - HA ALA 116 4.63 8 0.26 0.39 ++ ++*+ + + peak 3885 QD1 LEU 62 - HA ALA 416 Upper QD1 LEU 62 - H ALA 117 5.50 20 1.37 1.89 +++++++++++++++++++* peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.46 2.09 ++++++++++++++++++*+ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 1.24 1.58 ++++*+++++++++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 9 0.31 0.82 ++ + * + ++ ++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 19 1.32 1.92 ++++++++++*++++++++ peak 8267 Upper QD2 LEU 62 - H ALA 63 4.64 7 0.19 0.39 +*+ + + + + peak 2311 Upper QD2 LEU 62 - H LEU 65 5.38 12 0.37 0.80 ++++ ++ +++* ++ peak 938 Upper QD2 LEU 62 - HG LEU 65 5.34 6 0.23 1.03 + + * ++ + peak 2375 Upper QD2 LEU 62 - H ARG 66 5.00 8 0.18 0.54 + + ++ * + ++ peak 948 Upper QD2 LEU 62 - H PHE 92 5.50 6 0.17 0.46 ++ + *+ + peak 2317 Upper QD2 LEU 62 - HB2 PHE 92 4.87 18 0.54 0.72 *+++++++ ++++++++++ peak 3238 Upper QD2 LEU 62 - QE PHE 92 4.26 11 0.34 0.55 +++ ++*+ + + ++ peak 2309 Upper QD2 LEU 62 - H ALA 115 5.50 20 1.07 1.33 ++++++++*+++++++++++ peak 2312 Upper QD2 LEU 62 - H ALA 116 5.50 20 0.75 1.03 +++++*++++++++++++++ peak 977 Upper QD2 LEU 62 - HA ALA 116 5.50 20 1.76 1.96 +++++++++++++++*++++ peak 3886 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.37 1.81 +++++++++++++++++++* peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 1.09 1.57 +++++++++++++++++++* peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 0.76 1.00 +++++++++++++++++++* peak 8216 Upper QD2 LEU 62 - HB3 PRO 412 4.12 19 0.59 1.10 ++++++++++ ++++++++* peak 8266 Upper H ALA 63 - HG3 GLN 359 4.49 20 1.48 1.93 +++*++++++++++++++++ peak 896 Upper QB ALA 63 - HG3 GLU 67 5.50 8 0.23 0.53 + + +*++++ peak 2459 Upper QD1 LEU 65 - QB ALA 95 3.86 9 0.26 0.52 + * + + ++++ + peak 1712 Upper QD2 LEU 65 - QD PHE 92 4.14 20 1.21 1.58 +++++++++++++*++++++ peak 2402 Upper HA ARG 66 - QG1 VAL 88 4.33 18 0.49 0.70 + ++++++++++ ++++++* peak 3845 Upper HD2 ARG 66 - QG2 VAL 88 4.03 11 0.36 1.17 ++*++ ++ + + + + peak 3150 Upper H GLU 67 - HG LEU 68 5.50 11 0.59 1.52 * + ++ + ++++++ peak 2527 Upper H GLU 67 - QD2 LEU 68 4.55 18 0.81 1.40 ++*+++ ++++++++++++ peak 956 Upper QD2 LEU 68 - H CYS 69 3.83 20 0.73 1.03 *+++++++++++++++++++ peak 2535 Upper H CYS 69 - QG2 VAL 88 3.66 20 1.16 1.73 +++++++*++++++++++++ peak 8235 Upper H TRP 72 - QD2 LEU 73 5.50 16 0.36 0.54 +++++++++ + ++ +*++ peak 1341 Upper HB2 TRP 72 - H ARG 74 5.50 19 0.58 0.79 +++++++++ +++++*++++ peak 2647 Upper HE1 TRP 72 - QD2 LEU 86 5.50 8 0.21 0.60 *+++ + + ++ peak 259 Upper HE1 TRP 72 - HB2 LEU 87 5.50 20 0.73 0.78 +++++++++++++++*++++ peak 252 Upper HZ2 TRP 72 - QD1 LEU 86 4.60 11 0.24 0.49 ++ ++ +* +++ ++ peak 194 Upper HB2 LEU 73 - H MET 83 5.50 19 0.45 0.56 ++++*++++ ++++++++++ peak 1076 Upper QD1 LEU 73 - H MET 83 5.50 17 0.40 0.81 +++++++++*+++ + ++ + peak 1073 Upper QD1 LEU 73 - HG LEU 84 3.89 19 0.74 1.17 +++++++++++++++ +++* peak 2993 Upper QD2 LEU 73 - HA LEU 86 5.50 9 0.31 0.58 ++ ++ + ++ * + peak 1785 Upper HD2 PRO 75 - QD1 LEU 84 4.15 20 0.82 0.93 +++++++++++++*++++++ peak 2683 Upper HB VAL 77 - HB3 ARG 78 4.22 20 0.53 1.47 ++++++++++++++++*+++ peak 2776 Upper HD2 ARG 78 - QD1 LEU 86 3.99 19 0.51 0.66 ++++++*+ +++++++++++ peak 3060 Upper H GLU 81 - QE MET 83 5.50 12 0.30 0.36 ++ ++++ +*++++ peak 1649 Upper H GLU 81 - QD1 LEU 84 5.12 7 0.13 0.35 *+ + + + + + peak 1046 Upper H GLN 82 - HG2 GLU 85 4.26 8 0.30 0.49 + + ++ +++ * peak 1057 Upper HG2 MET 83 - QD1 LEU 84 4.88 6 0.13 0.43 ++ + * + + peak 2948 Upper QB LEU 84 - QG1 VAL 88 4.20 15 0.37 0.59 ++++ ++ +++ ++*+++ peak 2998 Upper HA LEU 86 - H GLU 90 5.19 10 0.28 0.50 * ++ +++++ + + peak 3087 Upper HG LEU 86 - H LEU 87 3.07 12 0.31 0.70 ++ +* ++ ++++ ++ peak 1109 Upper QG1 VAL 88 - H GLU 90 4.12 20 0.90 1.12 +++++++++++++++*++++ peak 8205 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 1.47 1.99 ++++++++++++++++*+++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.31 1.74 +++++++*++++++++++++ peak 8207 Upper QG2 VAL 88 - HG2 PRO 112 3.99 17 0.60 0.84 +++*++ +++++ ++++++ peak 3149 Upper QG2 VAL 88 - HG3 PRO 112 5.34 18 0.56 0.79 ++++++ ++++++ ++*+++ peak 3778 Upper H LEU 89 - HB2 PHE 92 5.11 17 0.43 0.65 + ++++++++*+++++++ peak 473 Upper H LEU 89 - HG3 PRO 112 5.50 12 0.34 0.54 +++ *++ + + +++ + peak 3813 Upper QD2 LEU 89 - QD PHE 92 4.95 6 0.16 0.55 + *+ + ++ peak 3200 Upper QD2 LEU 89 - H ALA 116 5.49 7 0.20 0.60 + + + *+ ++ peak 979 Upper H GLN 91 - QD PHE 92 5.50 20 0.57 0.63 +++++++++++++*++++++ peak 1149 Upper HA GLN 91 - H ALA 95 5.50 14 0.40 0.63 ++ ++ +++++*++ ++ peak 1860 Upper QD PHE 92 - QD2 LEU 96 3.53 10 0.17 0.37 + + ++*+++ ++ peak 3347 H LEU 96 - QD2 LEU 96 Upper QD PHE 92 - QB ALA 361 3.23 20 3.71 4.18 ++++++++++++++++++*+ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 1.06 1.47 +++++++++++++++++++* peak 8215 Upper QE PHE 92 - QB ALA 361 3.18 20 2.15 2.62 ++++++++++++++++++*+ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 0.74 0.92 *+++++++++++++++++++ peak 8216 Upper HZ PHE 92 - QD1 LEU 96 4.41 13 0.41 0.67 * ++ + ++++++ +++ peak 182 Upper HZ PHE 92 - QD2 LEU 96 4.18 6 0.19 0.60 *+ + + + + peak 183 Upper HZ PHE 92 - H ASP 120 5.50 20 0.70 1.07 *+++++++++++++++++++ peak 628 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 1.21 1.57 +++*++++++++++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 4.82 17 0.49 0.73 +++* +++++++++ ++++ peak 768 Upper HB2 LEU 93 - QD1 LEU 96 4.93 13 0.31 0.53 +++ + ++*+++ ++ + peak 3258 Upper HG LEU 93 - QD1 LEU 96 4.61 7 0.29 0.90 + + +++ *+ peak 3265 Upper HA3 GLY 94 - HB2 LEU 96 5.50 9 0.24 0.63 ++ ++ + ++* + peak 3340 Upper QB ALA 95 - QD PHE 350 3.01 20 5.97 6.31 ++++++*+++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 4.01 4.36 ++++++*+++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 1.25 1.40 ++++++*+++++++++++++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 3.08 3.16 +++++++++*++++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.35 2.52 ++*+++++++++++++++++ peak 8176 Upper H LEU 96 - QD1 ILE 100 4.92 10 0.30 0.62 + + ++++++ +* peak 3487 Upper H LEU 96 - HA GLN 101 5.50 10 0.36 0.59 + + +++*++ ++ peak 3521 Upper HB2 LEU 96 - HG2 GLN 101 3.81 16 0.39 0.60 +++*++++++++ ++++ peak 4096 Upper HB3 LEU 96 - HE22 GLN 101 4.92 20 1.09 1.34 +++++++++++++++*++++ peak 1208 Upper HB3 LEU 96 - QD TYR 352 5.50 20 2.30 2.59 +++++++++++++*++++++ peak 8340 Upper HG LEU 96 - HA VAL 119 3.95 17 1.01 1.42 ++++ +++++++++ ++*+ peak 3944 Upper HG LEU 96 - QG2 VAL 119 4.06 7 0.18 0.71 + + ++ + + * peak 3956 Upper QD1 LEU 96 - HD3 PRO 97 4.78 7 0.16 0.53 * ++ ++ ++ peak 3325 Upper QD1 LEU 96 - H ILE 100 4.55 19 0.48 0.94 ++++*++++++++++++ ++ peak 234 Upper QD1 LEU 96 - QB ALA 115 4.45 13 0.39 0.72 ++ + ++++++ + + +* peak 1679 Upper QD2 LEU 96 - HB2 GLN 101 5.50 20 0.57 0.72 +*++++++++++++++++++ peak 3507 Upper QD2 LEU 96 - QD TYR 352 3.68 20 1.61 1.75 +++++++++++*++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 1.45 1.62 ++++++++++++++*+++++ peak 8182 Upper HB2 PRO 97 - HG13 ILE 100 5.33 11 0.23 0.42 +++ +* +++ ++ + peak 3395 Upper HD3 PRO 97 - QG2 ILE 100 3.92 7 0.18 0.71 * ++ ++ ++ peak 1614 Upper QB GLU 99 - HG13 ILE 100 3.89 7 0.25 0.38 + + +* + + + peak 3474 Upper HA ILE 100 - H VAL 104 4.37 19 0.49 0.66 ++++++++++ ++++*++++ peak 737 Upper QG2 ILE 100 - QG1 VAL 119 3.26 15 0.50 0.97 +++++++++ + ++++ * peak 1610 Upper HG12 ILE 100 - H GLN 101 4.42 7 0.15 0.48 + ++ ++ +* peak 3493 Upper QD1 ILE 100 - HA ARG 123 4.87 12 0.35 0.84 ++++ + + *+++ ++ peak 3484 Upper QD1 ILE 100 - QB ARG 123 3.34 8 0.33 1.01 ++ ++ ++ +* peak 4039 QD2 LEU 122 - QB ARG 123 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.83 2.00 +++++++++++++*++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.72 1.98 +++++++*++++++++++++ peak 8114 Upper HG2 GLN 101 - HE22 GLN 101 3.75 13 0.31 0.35 ++ + ++++*++ + ++ peak 1203 Upper HG3 GLN 101 - QB ALA 102 5.50 20 0.75 0.79 +++++++++++++++++*++ peak 4091 Upper H VAL 104 - HB VAL 104 3.24 7 0.12 0.37 + * + ++++ peak 728 Upper HB VAL 104 - HE21 GLN 107 4.21 7 0.24 0.56 * + + + ++ + peak 1238 HE21 GLN 107 - HB2 PRO 109 Upper QQG VAL 104 - QB ALA 115 3.16 11 0.30 0.57 + ++ * ++ + ++ + + peak 1681 QB ALA 115 - QD2 LEU 118 Upper QA GLY 106 - HE21 GLN 107 4.66 18 0.39 0.51 ++++++++++*+ ++++++ peak 506 HE21 GLN 107 - HA ALA 115 Upper HB2 PRO 112 - H GLU 114 5.50 11 0.30 0.46 + +++ ++ +*+ ++ peak 3807 Upper HB2 PRO 112 - QD1 LEU 362 4.16 10 0.31 0.78 + *++ ++ + ++ + peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 1.35 1.91 +++*++++++++++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 19 0.56 0.85 +++ ++++++++++*+++++ peak 8266 Upper H GLU 113 - QB ALA 116 4.72 20 0.46 0.62 +++++++++++++++++*++ peak 1271 Upper HA ALA 115 - H VAL 119 3.60 20 1.09 1.33 +++++++++*++++++++++ peak 584 Upper QB ALA 115 - H ALA 117 3.72 20 0.71 0.88 +++++++++++++*++++++ peak 1295 Upper HA ALA 117 - HB2 ASP 120 4.02 6 0.22 0.49 + + +* + + peak 3900 Upper HG LEU 118 - HA VAL 119 4.42 20 0.94 1.42 ++++++++++++++++*+++ peak 3943 Upper HG LEU 118 - QG2 VAL 119 3.83 8 0.24 0.42 + ++ + ++ +* peak 3955 QG2 VAL 119 - HG LEU 122 Upper QD1 LEU 118 - H VAL 119 3.28 9 0.39 0.85 ++++ + ++ *+ peak 1313 Upper HB VAL 119 - QD ARG 123 5.06 6 0.21 0.70 + + + + + * peak 4028 Upper H GLY 121 - HB2 LEU 122 5.14 8 0.24 0.60 + * + + +++ + peak 1319 Upper HA LEU 122 - QD2 LEU 122 2.84 12 0.41 0.77 *++ ++ +++ ++ + + peak 565 Upper QB ALA 343 - HE1 TRP 372 5.50 20 0.58 0.73 ++++++++++++++++*+++ peak 258 Upper H ARG 344 - HD2 ARG 344 5.50 6 0.22 0.42 + + + * + + peak 705 Upper H ARG 344 - HD1 TRP 372 4.65 14 0.40 0.55 +++++++ + *+++ ++ peak 54 Upper HA LEU 345 - QD PHE 347 4.77 8 0.25 0.49 + ++ + ++ * + peak 103 Upper H ARG 346 - QD2 LEU 368 4.30 20 0.85 0.98 ++*+++++++++++++++++ peak 668 Upper QD PHE 347 - QG1 VAL 388 5.50 20 0.56 0.92 +++++++++++++++*++++ peak 2761 Upper QE PHE 347 - QD2 LEU 362 5.50 18 0.72 1.01 +++++++ +++++* +++++ peak 2310 QD2 LEU 362 - H GLU 367 Upper HZ PHE 347 - HA CYS 369 5.50 12 0.35 0.61 * + ++ + ++ + ++++ peak 285 Upper HB2 PHE 350 - QD1 LEU 368 5.17 10 0.31 0.61 + ++ ++ *++ + + peak 2013 Upper QD PHE 350 - QD1 LEU 368 3.16 18 0.51 0.78 + +++++++++*++++ +++ peak 279 Upper QE PHE 350 - QD TYR 352 3.46 20 0.97 1.17 ++++++++++++*+++++++ peak 60 Upper QE PHE 350 - QD1 LEU 365 4.74 10 0.27 0.48 ++ + + ++++* + peak 271 Upper QE PHE 350 - QD1 LEU 368 3.94 20 0.91 1.14 +++++++++++*++++++++ peak 269 Upper H HIS 351 - QB ALA 395 5.50 20 0.68 0.84 +++++++++++++++++*++ peak 787 Upper HA HIS 351 - QB ALA 395 4.60 20 0.85 1.19 +++++++++++++++++*++ peak 1718 Upper H TYR 352 - QB ALA 395 3.69 14 0.40 0.77 +++++ +*+++ +++ + peak 1727 Upper H TYR 352 - HG LEU 396 5.22 12 0.80 2.30 ++ ++ ++ * +++ ++ peak 793 Upper HA TYR 352 - QB ALA 395 4.53 13 0.30 0.60 +++++ *++ ++ ++ + peak 1717 Upper QD TYR 352 - H ALA 361 5.17 20 0.93 1.35 ++++++++++++++++*+++ peak 870 Upper QD TYR 352 - HG3 PRO 397 5.50 7 0.23 0.59 ++ + + + +* peak 3432 Upper QE TYR 352 - HA PRO 358 3.54 20 1.25 1.82 +++++++++++++++++++* peak 46 Upper QE TYR 352 - HB2 PRO 358 4.53 6 0.23 0.73 + * +++ + peak 230 Upper QE TYR 352 - QE PHE 392 5.05 20 1.37 1.87 +++++++++++++++++*++ peak 109 Upper QE TYR 352 - QG1 VAL 419 4.97 10 0.24 0.59 * +++ + + +++ + peak 8240 Upper QE TYR 352 - QG2 VAL 419 3.93 14 0.35 0.66 + ++++ + + ++++++* peak 238 Upper QG GLU 353 - HA GLU 354 5.50 7 0.17 0.56 + + ++ + *+ peak 2085 Upper QG GLU 354 - QD1 ILE 400 3.60 20 0.92 1.33 +++++++++++++++++++* peak 3876 Upper H ALA 355 - QG2 THR 356 4.48 6 0.21 0.74 * + + + ++ peak 812 Upper HA THR 356 - HG3 GLU 360 5.50 12 0.36 0.71 ++* ++ ++ ++ + + + peak 2108 Upper HB THR 356 - HG3 GLU 360 4.34 19 0.57 1.41 +++++++++++++ +++++* peak 2105 Upper H GLY 357 - HB3 GLU 360 4.31 20 1.04 1.34 ++++*+++++++++++++++ peak 822 Upper H GLY 357 - HG3 GLU 360 5.50 15 0.49 0.94 *++++++++ ++++++ peak 824 Upper HA PRO 358 - H LEU 362 5.50 17 0.50 0.72 ++++++++++ +++*+++ peak 875 Upper HA PRO 358 - QE PHE 392 4.46 19 0.88 1.27 +++++++++++++++*+++ peak 110 Upper HA PRO 358 - HZ PHE 392 5.19 20 1.03 1.39 ++++++++++*+++++++++ peak 116 Upper HB2 PRO 358 - HZ PHE 392 3.63 10 0.40 1.00 + * + ++ + ++ ++ peak 168 Upper HB2 PRO 358 - HA ALA 416 4.31 19 0.86 1.39 +++*+++++++++++++ ++ peak 8259 Upper HB2 PRO 358 - QB ALA 416 5.23 8 0.17 0.54 * + + + + + ++ peak 2132 Upper HB2 PRO 358 - H VAL 419 5.50 20 1.56 1.92 *+++++++++++++++++++ peak 2171 Upper HB3 PRO 358 - HA ALA 416 4.17 20 1.31 2.11 +++++++*++++++++++++ peak 8252 Upper HB3 PRO 358 - QB ALA 416 4.59 12 0.87 1.70 ++ ++ +++* + ++ + peak 2138 Upper HB3 PRO 358 - QG2 VAL 419 4.05 7 0.21 0.67 *+ ++ + ++ peak 2140 Upper HG2 PRO 358 - HZ PHE 392 3.74 12 0.32 0.69 ++ ++ +++* + ++ + peak 169 Upper HG2 PRO 358 - HA ALA 416 4.07 20 1.18 1.39 ++++++++*+++++++++++ peak 3890 Upper HG2 PRO 358 - QB ALA 416 3.50 20 1.03 1.38 ++++++++++*+++++++++ peak 1621 Upper HD2 PRO 358 - QG2 VAL 419 4.07 17 0.55 0.84 *++++++ + +++++++++ peak 1760 Upper HD3 PRO 358 - HE22 GLN 359 5.50 20 1.05 1.38 +++++++++++++*++++++ peak 2162 Upper HD3 PRO 358 - QG2 VAL 419 4.44 18 0.51 0.82 +++*+++ ++ +++++++++ peak 2156 Upper H GLN 359 - HE21 GLN 359 4.28 11 0.23 0.51 ++*++ ++++ + + peak 165 HE21 GLN 59 - H GLN 359 Upper H GLN 359 - HB2 LEU 362 5.50 14 0.39 0.65 +++++ ++*+++ ++ + peak 838 H GLN 59 - HB2 LEU 362 Upper HA GLN 359 - HB3 LEU 362 4.77 14 0.44 0.70 +++++ ++*+++ ++ + peak 1873 HB3 LEU 62 - HA GLN 359 Upper HA GLN 359 - H ALA 363 5.06 11 0.32 0.65 ++ + ++ + + +++ * peak 2216 Upper QB GLN 359 - H ALA 363 5.08 16 0.48 0.89 ++++ +++++++++++ * peak 897 Upper HG2 GLN 359 - HE21 GLN 359 3.39 15 0.39 0.65 +++++ +++++* ++ + + peak 829 Upper HG3 GLN 359 - QB ALA 416 3.59 13 0.44 0.78 +++++ +++++ ++ * peak 1622 QB ALA 116 - HG3 GLN 359 Upper H GLU 360 - H LEU 362 4.89 6 0.20 0.44 * ++ ++ + peak 175 Upper HB2 GLU 360 - QB ALA 361 3.58 20 0.86 0.99 ++++++++*+++++++++++ peak 1607 Upper HG3 GLU 360 - QB ALA 361 4.09 20 1.04 1.55 ++++*+++++++++++++++ peak 1606 Upper H ALA 361 - H ALA 363 3.31 20 0.69 0.92 +++++++++++++++++++* peak 178 Upper HA ALA 361 - HE21 GLN 364 4.38 7 0.20 0.66 ++*+ + + + peak 185 Upper H LEU 362 - HG LEU 362 3.15 6 0.28 1.15 + * +++ + peak 884 Upper H LEU 362 - HG2 GLN 364 5.35 7 0.22 0.70 ++ * + ++ + peak 879 Upper QD1 LEU 362 - H GLU 413 4.95 6 0.23 0.85 + + + + *+ peak 1274 Upper QD1 LEU 362 - H ALA 415 5.50 18 0.49 1.19 + ++++++++++++ +++*+ peak 1288 Upper QD1 LEU 362 - HA ALA 416 4.63 8 0.28 0.48 + * + + +++ + peak 3885 HA ALA 116 - QD1 LEU 362 Upper QD1 LEU 362 - H ALA 417 5.50 20 1.37 1.88 ++++++++++++++++*+++ peak 1299 Upper QD2 LEU 362 - H ALA 363 4.64 8 0.22 0.37 +* ++ +++ + peak 2311 Upper QD2 LEU 362 - H LEU 365 5.38 14 0.42 0.72 +++ +++ +++++* ++ peak 938 Upper QD2 LEU 362 - HG LEU 365 5.34 10 0.45 1.10 *++ +++ +++ + peak 2375 Upper QD2 LEU 362 - HB2 PHE 392 4.87 17 0.55 0.75 *++++++ ++++++ ++++ peak 3238 Upper QD2 LEU 362 - QE PHE 392 4.26 10 0.34 0.59 + + ++ +++ ++ * peak 2309 Upper QD2 LEU 362 - H ALA 415 5.50 20 1.03 1.30 +++++++++++++++*++++ peak 2312 Upper QD2 LEU 362 - H ALA 416 5.50 20 0.71 0.95 ++++++++++++++*+++++ peak 977 Upper QD2 LEU 362 - HA ALA 416 5.50 20 1.78 2.02 ++++++++++++*+++++++ peak 3886 Upper QB ALA 363 - HG3 GLU 367 5.50 10 0.27 0.65 ++ + +++* + ++ peak 2459 Upper HG3 GLN 364 - H LEU 365 4.27 6 0.17 0.52 + + * + + + peak 2352 Upper QD1 LEU 365 - QB ALA 395 3.86 9 0.26 0.68 +* ++ + + + ++ peak 1712 Upper QD2 LEU 365 - QD PHE 392 4.14 20 1.28 1.73 *+++++++++++++++++++ peak 2402 Upper QD2 LEU 365 - QB ALA 395 4.34 7 0.20 0.64 ++ + + + + * peak 1711 Upper HA ARG 366 - QG1 VAL 388 4.33 19 0.48 0.71 ++++++++++*+ +++++++ peak 3845 Upper QG ARG 366 - QG1 VAL 388 4.60 6 0.20 0.37 + + * +++ peak 2412 Upper HD2 ARG 366 - QG2 VAL 388 4.03 13 0.45 1.14 + *+++ + + ++++++ peak 3150 Upper H GLU 367 - HG LEU 368 5.50 12 0.63 1.36 + ++ ++ +*+++ + + peak 2527 Upper H GLU 367 - QD2 LEU 368 4.55 19 0.76 1.20 ++++++++++*++++++++ peak 956 Upper QD2 LEU 368 - H CYS 369 3.83 20 0.72 0.98 ++++++++++*+++++++++ peak 2535 Upper H CYS 369 - QG2 VAL 388 3.66 20 1.22 1.73 ++++++++++++++++++*+ peak 8235 Upper H TRP 372 - QD2 LEU 373 5.50 17 0.36 0.54 +++++++++ ++ *+ ++++ peak 1341 Upper HB2 TRP 372 - H ARG 374 5.50 20 0.62 0.85 +++++++++*++++++++++ peak 2647 Upper HE1 TRP 372 - QD2 LEU 386 5.50 12 0.34 0.70 ++++++++ + + * + peak 259 Upper HE1 TRP 372 - HB2 LEU 387 5.50 20 0.72 0.83 +++++++++++++++*++++ peak 252 Upper HZ2 TRP 372 - QD1 LEU 386 4.60 7 0.15 0.46 + *+ ++ + + peak 194 Upper HB2 LEU 373 - H MET 383 5.50 19 0.47 0.56 +++++++++ ++++++*+++ peak 1076 Upper QD1 LEU 373 - H MET 383 5.50 17 0.40 0.64 ++++++*+ +++++ ++++ peak 1073 Upper QD1 LEU 373 - HG LEU 384 3.89 17 0.59 1.14 +++++++ + +++++ +++* peak 2993 Upper QD2 LEU 373 - HA LEU 386 5.50 8 0.29 0.59 ++ ++ ++ * + peak 1785 Upper HD2 PRO 375 - QD1 LEU 384 4.15 20 0.81 1.03 +++++++++++++++++++* peak 2683 Upper HB VAL 377 - HB3 ARG 378 4.22 20 0.64 1.48 *+++++++++++++++++++ peak 2776 Upper HD2 ARG 378 - QD1 LEU 386 3.99 20 0.46 0.68 ++++++++*+++++++++++ peak 3060 Upper HG3 LYS 380 - QE MET 383 3.56 8 0.25 0.52 ++++ + ++* peak 8123 Upper H GLU 381 - QE MET 383 5.50 13 0.32 0.39 *+ +++++ + + ++++ peak 1649 Upper H GLN 382 - HG2 GLU 385 4.26 12 0.31 0.47 ++++ *+ + +++ ++ peak 1057 Upper QB LEU 384 - QG1 VAL 388 4.20 11 0.31 0.52 + +++++++*+ + peak 2998 Upper HG LEU 386 - H LEU 387 3.07 8 0.20 0.67 + +* +++ + + peak 1109 Upper QD2 LEU 387 - H GLU 390 5.50 7 0.25 0.35 +++++ + * peak 3092 Upper HB VAL 388 - H LEU 389 3.24 6 0.30 1.04 + + + +*+ peak 1130 Upper QG1 VAL 388 - H GLU 390 4.12 20 0.88 1.15 +++++++++++++++*++++ peak 8205 Upper QG2 VAL 388 - HG2 PRO 412 3.99 14 0.53 0.93 +++++ +*++ ++++ + peak 3149 Upper QG2 VAL 388 - HG3 PRO 412 5.34 15 0.50 0.83 +++++ +*++ +++++ + peak 3778 Upper H LEU 389 - HB2 PHE 392 5.11 17 0.43 0.60 ++++++++++ *+++ + ++ peak 473 Upper H LEU 389 - HG2 PRO 412 4.27 7 0.25 0.54 + + + ++*+ peak 1129 Upper H LEU 389 - HG3 PRO 412 5.50 13 0.37 0.62 ++ ++++++ ++*++ peak 3813 Upper QD2 LEU 389 - QD PHE 392 4.95 8 0.19 0.51 *+ ++ + ++ + peak 3200 Upper QD2 LEU 389 - H ALA 416 5.49 10 0.25 0.61 ++ ++ +++ ++ * peak 979 Upper H GLN 391 - QD PHE 392 5.50 20 0.57 0.64 ++++++++++++++++++*+ peak 1149 Upper HA GLN 391 - H ALA 395 5.50 13 0.38 0.69 +++ + +++*++ +++ peak 1860 Upper QD PHE 392 - QD2 LEU 396 3.53 8 0.14 0.40 + + ++++ + * peak 3347 H LEU 396 - QD2 LEU 396 Upper HZ PHE 392 - QD1 LEU 396 4.41 14 0.38 0.78 + + ++ +++*+ +++ + + peak 182 Upper HZ PHE 392 - QD2 LEU 396 4.18 6 0.20 0.51 * + + + + + peak 183 Upper HZ PHE 392 - H ASP 420 5.50 20 0.72 1.16 +*++++++++++++++++++ peak 628 Upper H LEU 393 - QD1 LEU 396 4.82 15 0.43 0.67 + + *+++++++ +++ + + peak 768 Upper HB2 LEU 393 - QD1 LEU 396 4.93 8 0.24 0.46 + + ++ + *+ + peak 3258 Upper HG LEU 393 - QD1 LEU 396 4.61 7 0.24 0.87 * +++ + ++ peak 3265 Upper QD2 LEU 393 - H VAL 404 4.70 6 0.26 0.52 + + + ++* peak 3293 Upper HA3 GLY 394 - HB2 LEU 396 5.50 12 0.32 0.79 ++ ++ ++ + ++* ++ peak 3340 Upper H LEU 396 - QD1 ILE 400 4.92 8 0.25 0.63 + + ++*+ + + peak 3487 Upper H LEU 396 - HA GLN 401 5.50 11 0.33 0.56 + + ++ ++*+ + + + peak 3521 Upper HB2 LEU 396 - HG2 GLN 401 3.81 16 0.41 0.68 +++++++++ ++ +*+++ peak 4096 Upper HB3 LEU 396 - HE22 GLN 401 4.92 20 1.16 1.53 +*++++++++++++++++++ peak 1208 Upper HG LEU 396 - HA VAL 419 3.95 15 0.93 1.42 + + ++++*+++ +++ + + peak 3944 Upper QD1 LEU 396 - HD3 PRO 397 4.78 7 0.17 0.54 * +++ + ++ peak 3325 Upper QD1 LEU 396 - H ILE 400 4.55 20 0.52 0.92 +++*++++++++++++++++ peak 234 Upper QD1 LEU 396 - QB ALA 415 4.45 13 0.37 0.59 + ++++++++ ++ + * peak 1679 Upper QD2 LEU 396 - HB2 GLN 401 5.50 20 0.56 0.81 ++++++++++++++*+++++ peak 3507 Upper HB2 PRO 397 - HG13 ILE 400 5.33 8 0.21 0.40 +++ + + + * + peak 3395 Upper HD3 PRO 397 - QG2 ILE 400 3.92 7 0.23 0.84 + +*+ + ++ peak 1614 Upper HA ILE 400 - HB2 ARG 403 3.98 7 0.21 0.51 +* ++ + ++ peak 3455 Upper HA ILE 400 - H VAL 404 4.37 20 0.49 0.72 +++*++++++++++++++++ peak 737 Upper QG2 ILE 400 - QG1 VAL 419 3.26 13 0.38 0.83 +++ *++ + +++ +++ peak 1610 Upper HG12 ILE 400 - H GLN 401 4.42 7 0.14 0.46 + +++ + *+ peak 3493 Upper QD1 ILE 400 - HA ARG 423 4.87 10 0.33 0.87 + + + + *+ ++ + + peak 3484 Upper QD1 ILE 400 - QB ARG 423 3.34 6 0.25 0.89 ++ + +* + peak 4039 QD2 LEU 422 - QB ARG 423 Upper HG2 GLN 401 - HE22 GLN 401 3.75 13 0.31 0.35 ++ + +++++++++ * peak 1203 Upper HG3 GLN 401 - QB ALA 402 5.50 20 0.76 0.82 +++++*++++++++++++++ peak 4091 Upper HB VAL 404 - HE22 GLN 407 4.55 6 0.15 0.41 + +* + ++ peak 1243 HE22 GLN 407 - HB2 PRO 409 Upper QQG VAL 404 - QB ALA 415 3.16 7 0.26 0.48 + ++ + +* + peak 1681 QB ALA 415 - QD2 LEU 418 Upper QA GLY 406 - HE21 GLN 407 4.66 20 0.42 0.61 ++++++++++++++++*+++ peak 506 HE21 GLN 407 - HA ALA 415 Upper HB2 PRO 412 - H GLU 414 5.50 12 0.27 0.41 + ++ ++ ++* ++++ peak 3807 Upper H GLU 413 - QB ALA 416 4.72 20 0.48 0.65 +++++++++++++++++++* peak 1271 Upper HA ALA 415 - H VAL 419 3.60 20 1.07 1.33 ++++++++++++++*+++++ peak 584 Upper QB ALA 415 - H ALA 417 3.72 20 0.68 0.89 +++++*++++++++++++++ peak 1295 Upper HA ALA 417 - HB2 ASP 420 4.02 7 0.21 0.45 + +* ++ ++ peak 3900 Upper HG LEU 418 - HA VAL 419 4.42 20 0.95 1.43 ++++++++++++++++++*+ peak 3943 Upper QD1 LEU 418 - H VAL 419 3.28 12 0.40 0.83 +++++ ++ ++ ++ * peak 1313 Upper HA LEU 422 - QD2 LEU 422 2.84 12 0.40 0.80 * + ++ + ++ +++ + + peak 565 VdW HA2 GLY 39 - CD PRO 40 2.60 12 0.20 0.22 + ++ +++*++++ + VdW CB PHE 47 - HB3 LEU 68 2.60 7 0.10 0.28 + ++ * + ++ VdW HB2 PHE 47 - CB LEU 68 2.60 8 0.17 0.37 + + ++ + + *+ VdW HB2 PHE 47 - HB3 LEU 68 2.00 13 0.30 0.54 +++*+ + + ++++++ VdW CG PHE 47 - C PHE 47 2.90 20 0.23 0.24 +++++++++++++++*++++ VdW CE1 PHE 47 - CD2 LEU 87 3.20 9 0.13 0.36 +++ + +*+++ VdW CZ PHE 47 - HB2 GLN 91 2.60 20 0.38 0.49 ++*+++++++++++++++++ VdW CE2 PHE 47 - HZ3 TRP 72 2.60 6 0.10 0.30 ++ + + * + VdW CE2 PHE 47 - CD2 LEU 87 3.20 9 0.14 0.43 + + +++++ * + VdW CE2 PHE 47 - CG GLN 91 3.20 6 0.10 0.38 ++ +++ * VdW HA ARG 48 - HG2 GLN 91 2.00 6 0.12 0.31 * + ++++ VdW HA ARG 48 - CD GLN 91 2.50 8 0.15 0.42 + + +* + + ++ VdW HA ARG 48 - OE1 GLN 91 2.30 12 0.21 0.34 ++ +* +++++ ++ + VdW CD1 PHE 50 - CB ALA 61 3.20 10 0.15 0.33 + +++ * ++ ++ + VdW HD1 PHE 50 - HA ALA 95 2.00 7 0.11 0.32 + +* ++ + + VdW CE1 PHE 50 - CB ALA 61 3.20 9 0.14 0.32 + ++++ + * ++ VdW CZ PHE 50 - HG2 GLU 60 2.60 6 0.10 0.39 + + + + * + VdW CZ PHE 50 - N ALA 61 3.05 14 0.29 0.50 ++ + ++ + ++++ +*++ VdW HZ PHE 50 - CB GLU 60 2.60 19 0.36 0.49 ++++++++++++++ ++++* VdW HZ PHE 50 - HB3 GLU 60 2.00 18 0.34 0.51 ++++ +++++*+++ +++++ VdW HZ PHE 50 - CG GLU 60 2.60 8 0.18 0.35 ++ ++ + + * + VdW CE2 PHE 50 - CB ALA 61 3.20 7 0.10 0.29 +* + ++ + + VdW CD2 PHE 50 - CB ALA 61 3.20 7 0.10 0.32 ++* + ++ + VdW O PHE 50 - O GLY 94 2.60 6 0.14 0.37 * + + + + + VdW CG HIS 51 - O HIS 51 2.90 20 0.52 0.57 ++*+++++++++++++++++ VdW ND1 HIS 51 - O HIS 51 2.80 8 0.19 0.27 ++++ * + + + VdW N TYR 52 - O ALA 95 2.75 6 0.12 0.37 + + + +*+ VdW CB TYR 52 - C GLY 57 3.10 18 0.27 0.34 +++++++++ + ++++*+++ VdW CB TYR 52 - O GLY 57 2.90 10 0.21 0.47 ++ *+ ++ +++ + VdW CB TYR 52 - HA PRO 58 2.60 18 0.30 0.49 +++++++++++* +++++ + VdW HB2 TYR 52 - C GLY 57 2.50 20 0.39 0.47 ++++*+++++++++++++++ VdW HB2 TYR 52 - O GLY 57 2.30 20 0.56 0.81 +++*++++++++++++++++ VdW HB2 TYR 52 - CA PRO 58 2.60 9 0.16 0.36 + ++*+++ ++ VdW HB2 TYR 52 - HA PRO 58 2.00 9 0.17 0.39 + +++*++ ++ VdW HB3 TYR 52 - C ALA 95 2.50 15 0.38 0.58 + + ++ ++*++++ ++++ VdW HB3 TYR 52 - O ALA 95 2.30 16 0.29 0.53 * ++++++++++ ++++ + VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 ++++++++++++++*+++++ VdW CG TYR 52 - C GLY 57 3.10 20 0.38 0.62 +++*++++++++++++++++ VdW CG TYR 52 - N PRO 58 3.05 20 0.37 0.50 ++++++++++++++*+++++ VdW CD1 TYR 52 - C TYR 52 3.10 10 0.19 0.48 ++ +++* + +++ VdW CD1 TYR 52 - N GLY 57 3.05 10 0.16 0.50 ++ +++* + +++ VdW CD1 TYR 52 - CA GLY 57 3.20 10 0.38 0.84 ++ ++*+ + +++ VdW CD1 TYR 52 - HA2 GLY 57 2.60 10 0.33 0.89 ++ ++*+ + +++ VdW CD1 TYR 52 - C GLY 57 3.10 10 0.25 0.64 ++ *+++ + +++ VdW CD1 TYR 52 - HD3 PRO 58 2.60 8 0.13 0.35 + +++* + + + VdW CD1 TYR 52 - O ALA 95 2.90 7 0.22 0.71 * +++ + ++ VdW CD1 TYR 52 - HA LEU 96 2.60 10 0.14 0.40 + ++++ + *+++ VdW HD1 TYR 52 - N GLY 57 2.45 10 0.23 0.59 ++ ++++ + *++ VdW HD1 TYR 52 - H GLY 57 1.95 10 0.21 0.56 ++ ++++ + *++ VdW HD1 TYR 52 - CA GLY 57 2.60 8 0.18 0.61 + +++ + *++ VdW HD1 TYR 52 - C ALA 95 2.50 6 0.10 0.32 * +++ ++ VdW HD1 TYR 52 - O ALA 95 2.30 7 0.28 0.87 * +++ + ++ VdW HD1 TYR 52 - CA LEU 96 2.60 9 0.12 0.31 * ++++ + ++ + VdW HD1 TYR 52 - HA LEU 96 2.00 8 0.15 0.42 * ++++ + ++ VdW CE1 TYR 52 - CA GLY 57 3.20 10 0.19 0.53 ++ *+++ + +++ VdW CE1 TYR 52 - HA2 GLY 57 2.60 10 0.36 0.82 ++ ++*+ + +++ VdW CE1 TYR 52 - HD3 PRO 58 2.60 8 0.20 0.64 + *+++ + ++ VdW CZ TYR 52 - HD3 PRO 58 2.60 13 0.26 0.51 +*++++ +++ + ++ + VdW CE2 TYR 52 - CA GLY 57 3.20 10 0.18 0.44 + ++*+ + ++++ VdW CE2 TYR 52 - HA2 GLY 57 2.60 10 0.38 0.87 + +++* + ++++ VdW CE2 TYR 52 - HD3 PRO 58 2.60 9 0.26 0.66 ++ +*++ + ++ VdW CD2 TYR 52 - C TYR 52 3.10 10 0.19 0.48 + ++++ + *+++ VdW CD2 TYR 52 - N GLY 57 3.05 6 0.13 0.49 +++ * ++ VdW CD2 TYR 52 - CA GLY 57 3.20 10 0.40 0.90 + ++++ * ++++ VdW CD2 TYR 52 - HA2 GLY 57 2.60 10 0.41 1.07 + ++++ * ++++ VdW CD2 TYR 52 - C GLY 57 3.10 10 0.23 0.52 + *+++ + ++++ VdW CD2 TYR 52 - HA LEU 96 2.60 9 0.17 0.48 ++ *+++ + ++ VdW HD2 TYR 52 - N GLY 57 2.45 10 0.23 0.55 + ++++ + ++*+ VdW HD2 TYR 52 - H GLY 57 1.95 10 0.21 0.61 + ++++ + *+++ VdW HD2 TYR 52 - CA GLY 57 2.60 9 0.25 0.74 + ++++ * +++ VdW HD2 TYR 52 - C ALA 95 2.50 8 0.13 0.38 * +++ + +++ VdW HD2 TYR 52 - N LEU 96 2.45 7 0.12 0.46 *+ ++ + ++ VdW HD2 TYR 52 - CA LEU 96 2.60 9 0.13 0.34 + ++++ + +*+ VdW HD2 TYR 52 - HA LEU 96 2.00 8 0.14 0.39 + ++* + +++ VdW H GLU 53 - CG GLU 53 2.55 8 0.16 0.27 + ++ + +*++ VdW HG3 GLU 53 - HB THR 56 2.00 7 0.14 0.40 + + ++ + *+ VdW C GLU 53 - N ALA 55 2.95 20 0.33 0.41 +++*++++++++++++++++ VdW C GLU 53 - H ALA 55 2.45 20 0.48 0.55 ++*+++++++++++++++++ VdW O GLU 53 - N ALA 55 2.75 19 0.39 0.56 ++*++++++++++++++++ VdW O ALA 55 - CD1 ILE 400 2.90 13 0.28 0.50 ++*+ ++ +++++ ++ VdW O ALA 55 - HD12 ILE 400 2.30 6 0.11 0.33 + * +++ + VdW CG2 THR 56 - C THR 56 2.90 18 0.27 0.32 ++ ++*++++ +++++++++ VdW CG2 THR 56 - N GLY 57 3.05 12 0.24 0.45 + + +*++++ ++ ++ VdW CA GLY 57 - CD PRO 358 3.20 20 0.73 0.83 ++++++*+++++++++++++ VdW CA GLY 57 - CG PRO 358 3.20 14 0.20 0.29 ++*++ +++ +++++ + VdW CA GLY 57 - HD2 PRO 358 2.60 20 0.54 0.60 +++++++*++++++++++++ VdW CA GLY 57 - HD3 PRO 358 2.60 18 0.32 0.53 ++ +++*+++ +++++++++ VdW HA3 GLY 57 - CD PRO 358 2.60 20 0.87 0.97 ++++++*+++++++++++++ VdW HA3 GLY 57 - CG PRO 358 2.60 20 0.47 0.57 +++++++++++++*++++++ VdW HA3 GLY 57 - HD3 PRO 358 2.00 20 0.55 0.76 ++++++*+++++++++++++ VdW C GLY 57 - CD PRO 358 3.10 13 0.23 0.35 ++ *++++ + + ++ + + VdW C GLY 57 - HD2 PRO 358 2.50 20 0.39 0.46 ++++++++++++++++++*+ VdW N PRO 58 - CD PRO 358 3.05 20 0.31 0.42 +++*++++++++++++++++ VdW N PRO 58 - HD2 PRO 358 2.45 20 0.72 0.81 +++*++++++++++++++++ VdW CD PRO 58 - CA GLY 357 3.20 20 0.76 0.87 ++++++++++++++++++*+ VdW CD PRO 58 - HA3 GLY 357 2.60 20 0.91 1.11 +++++++++++++++++++* VdW CD PRO 58 - C GLY 357 3.10 20 0.25 0.33 ++++++++++++++++++*+ VdW CD PRO 58 - N PRO 358 3.05 19 0.32 0.39 +++++++++*+++++++++ VdW CD PRO 58 - CD PRO 358 3.20 20 0.93 1.03 +++++++++++++++++*++ VdW CD PRO 58 - HD2 PRO 358 2.60 20 1.28 1.40 +++++++++++++++++*++ VdW CA PRO 58 - CB ALA 95 3.20 20 0.49 0.67 ++++++++++++++++++*+ VdW CA PRO 58 - HB1 ALA 95 2.60 12 0.41 1.11 + ++ +++ + *+++ + VdW CA PRO 58 - HB2 ALA 95 2.60 9 0.25 0.84 ++ + + + *+ ++ VdW CA PRO 58 - HB2 GLN 359 2.60 10 0.16 0.36 + ++ ++ * + ++ + VdW HA PRO 58 - CB ALA 95 2.60 12 0.30 0.70 *+ + ++ + ++ ++++ VdW HA PRO 58 - HB1 ALA 95 2.00 10 0.23 0.63 * + +++ + ++ + + VdW HA PRO 58 - HB2 ALA 95 2.00 7 0.11 0.47 +* + + ++ + VdW CB PRO 58 - CB ALA 95 3.20 20 0.65 0.75 +++++++++++++++*++++ VdW CB PRO 58 - HB1 ALA 95 2.60 15 0.44 0.93 +++++ +++++ +*++ + VdW CB PRO 58 - HB2 ALA 95 2.60 8 0.23 1.11 + ++ + ++ +* VdW CB PRO 58 - HB3 ALA 95 2.60 10 0.25 0.72 ++ + ++ + ++*+ VdW CB PRO 58 - O ALA 95 2.90 10 0.27 0.72 + + +++*++ ++ VdW CB PRO 58 - CB GLN 359 3.20 15 0.33 0.57 +++++ +*++++ ++ + + VdW CB PRO 58 - HB2 GLN 359 2.60 20 0.66 0.99 ++++++++*+++++++++++ VdW HB2 PRO 58 - CB ALA 95 2.60 16 0.31 0.45 +++++ ++++++++* ++ VdW HB2 PRO 58 - CB GLN 359 2.60 18 0.56 0.85 ++++++ +*++++ ++++++ VdW HB2 PRO 58 - HB2 GLN 359 2.00 19 0.66 1.02 ++++++++*++++ ++++++ VdW HB3 PRO 58 - CB ALA 95 2.60 10 0.22 0.45 + * ++ + + ++++ VdW HB3 PRO 58 - C ALA 95 2.50 6 0.10 0.29 + + +*++ VdW HB3 PRO 58 - O ALA 95 2.30 10 0.46 1.07 + + +++*++ ++ VdW CG PRO 58 - CA GLY 357 3.20 16 0.24 0.33 +++++ +++++++*+ ++ VdW CG PRO 58 - HA3 GLY 357 2.60 20 0.51 0.60 ++++*+++++++++++++++ VdW CG PRO 58 - H GLN 359 2.55 13 0.25 0.40 +++++ +*++++ ++ VdW CG PRO 58 - HB2 GLN 359 2.60 13 0.33 0.58 ++*++ +++++ ++ + VdW HG2 PRO 58 - N GLN 359 2.45 20 0.49 0.61 ++++++++*+++++++++++ VdW HG2 PRO 58 - H GLN 359 1.95 20 0.53 0.70 +*++++++++++++++++++ VdW HG2 PRO 58 - HB2 GLN 359 2.00 7 0.16 0.44 + *++ + + + VdW HG3 PRO 58 - HA3 GLY 357 2.00 10 0.17 0.34 ++ + ++ + *+++ VdW HD2 PRO 58 - CA GLY 357 2.60 20 0.55 0.69 *+++++++++++++++++++ VdW HD2 PRO 58 - HA3 GLY 357 2.00 9 0.19 0.48 ++ ++ ++ + + * VdW HD2 PRO 58 - C GLY 357 2.50 20 0.40 0.48 ++++++++++++++++++*+ VdW HD2 PRO 58 - N PRO 358 2.45 20 0.72 0.79 ++++++++++++++++++*+ VdW HD2 PRO 58 - CD PRO 358 2.60 20 1.29 1.42 +++++++++++++++++*++ VdW HD2 PRO 58 - HD2 PRO 358 2.00 20 1.22 1.36 ++++++++++*+++++++++ VdW HD3 PRO 58 - CA GLY 357 2.60 20 0.35 0.54 ++++++++++++++++++*+ VdW HD3 PRO 58 - HA3 GLY 357 2.00 20 0.59 0.74 ++++++*+++++++++++++ VdW C PRO 58 - HB1 ALA 95 2.50 8 0.16 0.50 +* ++ + +++ VdW C PRO 58 - CB GLN 359 3.10 11 0.17 0.35 + ++ ++ * + ++ + + VdW C PRO 58 - HB2 GLN 359 2.50 15 0.33 0.77 + + ++ ++ + *+++++++ VdW C PRO 58 - CG GLN 359 3.10 12 0.19 0.44 ++*++ +++++ ++ VdW C PRO 58 - HG2 GLN 359 2.50 13 0.32 0.87 ++*++ +++++ ++ + VdW O PRO 58 - HB2 ALA 95 2.30 6 0.11 0.43 + + + ++ * VdW O PRO 58 - CG GLN 359 2.90 9 0.15 0.31 + ++ ++++ +* VdW O PRO 58 - HG2 GLN 359 2.30 13 0.42 0.74 +++*+ +++++ ++ + VdW O PRO 58 - CD GLN 359 2.80 7 0.16 0.61 + + ++ +*+ VdW O PRO 58 - NE2 GLN 359 2.75 7 0.22 0.80 * + ++ +++ VdW N GLN 59 - HG2 PRO 358 2.45 20 0.49 0.57 +++*++++++++++++++++ VdW N GLN 59 - N GLN 359 2.90 18 0.42 0.62 +++++* ++++++ ++++++ VdW N GLN 59 - CA GLN 359 3.05 8 0.16 0.32 +* +++ ++ + VdW N GLN 59 - CB GLN 359 3.05 17 0.27 0.43 + ++++++++*+++++++ VdW N GLN 59 - HB2 GLN 359 2.45 9 0.26 0.65 + + + *+ ++++ VdW H GLN 59 - CG PRO 358 2.55 15 0.27 0.42 +++++ +++*++ ++ + + VdW H GLN 59 - HG2 PRO 358 1.95 20 0.54 0.77 ++++++++++*+++++++++ VdW H GLN 59 - H GLN 359 1.90 20 0.71 0.85 +++++*++++++++++++++ VdW CA GLN 59 - N GLN 359 3.05 9 0.16 0.32 ++* +++ + + + VdW CA GLN 59 - CA GLN 359 3.20 11 0.20 0.34 ++* +++ ++ ++ + VdW CA GLN 59 - HA GLN 359 2.60 7 0.14 0.30 ++* +++ + VdW CA GLN 59 - CG GLN 359 3.20 6 0.10 0.31 + + * + ++ VdW CA GLN 59 - NE2 GLN 359 3.05 15 0.29 0.51 +++++ ++++++ ++ + * VdW HA GLN 59 - CD GLN 59 2.50 13 0.24 0.43 +++++ ++++ * ++ + VdW HA GLN 59 - OE1 GLN 59 2.30 12 0.18 0.47 ++ ++ ++++ + ++ * VdW HA GLN 59 - CA GLN 359 2.60 7 0.13 0.29 ++ *++ ++ VdW HA GLN 59 - HA GLN 359 2.00 12 0.24 0.50 +++++ +++++ *+ VdW HA GLN 59 - CG GLN 359 2.60 7 0.23 0.65 + + + * + ++ VdW HA GLN 59 - CD GLN 359 2.50 14 0.41 0.91 +++++ ++++* +++ + VdW HA GLN 59 - NE2 GLN 359 2.45 16 0.40 0.84 +++++++++++ ++++ * VdW CB GLN 59 - CB PRO 358 3.20 15 0.33 0.53 +++++* ++++++ ++ + VdW CB GLN 59 - HB2 PRO 358 2.60 19 0.55 0.81 +++++*+++++++ ++++++ VdW CB GLN 59 - C PRO 358 3.10 9 0.17 0.45 ++ * + ++ + + + VdW CB GLN 59 - N GLN 359 3.05 14 0.27 0.53 *+ + ++ ++ ++++ + ++ VdW CB GLN 59 - CZ PHE 392 3.20 20 0.47 0.66 +++++++++++++++++*++ VdW HB2 GLN 59 - CA PRO 358 2.60 7 0.15 0.41 + * + ++ + + VdW HB2 GLN 59 - CB PRO 358 2.60 19 0.65 0.94 +++++*+++++++ ++++++ VdW HB2 GLN 59 - HB2 PRO 358 2.00 19 0.63 0.98 +++++*+++++++ ++++++ VdW HB2 GLN 59 - CG PRO 358 2.60 12 0.34 0.60 ++ ++ ++++ + +* + VdW HB2 GLN 59 - HG2 PRO 358 2.00 7 0.17 0.45 + + + ++ * + VdW HB2 GLN 59 - C PRO 358 2.50 13 0.32 0.73 ++ * ++ ++ ++ + + ++ VdW HB2 GLN 59 - N GLN 359 2.45 9 0.27 0.77 *+ + + + + + ++ VdW HB3 GLN 59 - CE1 PHE 392 2.60 8 0.14 0.40 + + +* + +++ VdW HB3 GLN 59 - CZ PHE 392 2.60 20 0.71 0.95 +++++++++++++++++*++ VdW HB3 GLN 59 - HZ PHE 392 2.00 18 0.38 0.86 ++++++++++++++++*+ VdW CG GLN 59 - C PRO 358 3.10 11 0.19 0.48 + ++ +++* + ++ + VdW CG GLN 59 - O PRO 358 2.90 8 0.13 0.29 + *++ +++ + VdW CG GLN 59 - CA GLN 359 3.20 6 0.11 0.33 + + + *++ VdW CG GLN 59 - HA GLN 359 2.60 8 0.25 0.67 + + +* ++++ VdW CG GLN 59 - CE1 PHE 392 3.20 10 0.27 0.73 ++ + +*++ ++ + VdW CG GLN 59 - CZ PHE 392 3.20 14 0.29 0.46 +++++ ++++*+ ++ + VdW CG GLN 59 - CE2 PHE 392 3.20 8 0.16 0.54 ++ ++ + + + * VdW HG2 GLN 59 - C PRO 358 2.50 13 0.34 0.95 +++++ +++* + ++ + VdW HG2 GLN 59 - O PRO 358 2.30 13 0.39 0.68 *++++ ++++ + ++ + VdW HG3 GLN 59 - HA GLN 359 2.00 6 0.18 0.74 + + + * ++ VdW HG3 GLN 59 - CE1 PHE 392 2.60 9 0.17 0.45 ++ ++++ * ++ VdW HG3 GLN 59 - CZ PHE 392 2.60 12 0.20 0.43 +++++ +++ * ++ + VdW HG3 GLN 59 - CE2 PHE 392 2.60 8 0.16 0.46 ++* + + + + + VdW CD GLN 59 - O PRO 358 2.80 7 0.17 0.70 + + + + + +* VdW CD GLN 59 - HA GLN 359 2.50 14 0.41 0.91 +++++ ++++ ++++ * VdW CD GLN 59 - CD1 LEU 362 3.10 6 0.12 0.43 * ++ ++ + VdW CD GLN 59 - CE2 PHE 392 3.10 6 0.08 0.28 + + ++ +* VdW OE1 GLN 59 - NE2 GLN 359 2.75 9 0.20 0.64 + ++ +++* ++ VdW OE1 GLN 59 - CD1 LEU 362 2.90 9 0.18 0.46 ++ ++ +++ + * VdW OE1 GLN 59 - CE2 PHE 392 2.90 8 0.23 0.79 + ++ + +* ++ VdW OE1 GLN 59 - HE2 PHE 392 2.30 8 0.12 0.38 + ++ + ++ +* VdW NE2 GLN 59 - O PRO 358 2.75 7 0.23 1.01 + + + + + +* VdW NE2 GLN 59 - CA GLN 359 3.05 13 0.27 0.54 +++++ +++ +* ++ + VdW NE2 GLN 59 - HA GLN 359 2.45 15 0.37 0.78 +++++ ++++ *+++ ++ VdW NE2 GLN 59 - OE1 GLN 359 2.75 10 0.20 0.78 ++*++ +++ ++ VdW NE2 GLN 59 - C GLN 359 2.95 9 0.16 0.40 ++ +++ *+ ++ VdW NE2 GLN 59 - O GLN 359 2.75 13 0.36 0.65 ++++* ++++++ ++ VdW NE2 GLN 59 - CD1 LEU 362 3.05 7 0.12 0.37 * ++ ++ + + VdW HE21 GLN 59 - H LEU 362 1.90 7 0.19 0.35 + + +++ + * VdW HE22 GLN 59 - CB ALA 361 2.55 7 0.18 0.74 + + + + + +* VdW HE22 GLN 59 - H LEU 362 1.90 7 0.18 0.64 * ++ ++ + + VdW C GLN 59 - N ALA 61 2.95 19 0.27 0.41 ++++++++++++++ ++++* VdW C GLN 59 - H ALA 61 2.45 19 0.30 0.52 +++++++++++++++++ +* VdW C GLN 59 - NE2 GLN 359 2.95 11 0.17 0.34 + ++ +++ ++ ++ * VdW C GLN 59 - HB2 ALA 416 2.50 10 0.24 0.61 + + +++ + + +* + VdW C GLN 59 - HB3 ALA 416 2.50 6 0.16 0.65 + + + + * + VdW O GLN 59 - N ALA 61 2.75 15 0.31 0.58 + + ++ ++++++ ++++* VdW O GLN 59 - NE2 GLN 359 2.75 14 0.37 0.64 ++++ *+++++ ++ + + VdW O GLN 59 - CB ALA 416 2.90 20 0.50 0.63 ++++++++++++*+++++++ VdW O GLN 59 - HB2 ALA 416 2.30 10 0.32 0.89 + + +++ + * ++ + VdW O GLN 59 - HB3 ALA 416 2.30 6 0.22 0.81 + + + + * + VdW CA GLU 60 - CB ALA 416 3.20 14 0.22 0.33 +++++ +++ + +*++ + VdW HA GLU 60 - CB ALA 416 2.60 16 0.30 0.47 +++++++++ +++*++ + VdW HA GLU 60 - C ALA 416 2.50 10 0.17 0.30 * ++ ++ ++ + + + VdW HA GLU 60 - O ALA 416 2.30 20 0.31 0.42 ++++++++++*+++++++++ VdW HG3 GLU 60 - C GLU 60 2.50 7 0.14 0.40 + *+ + + + + VdW HG3 GLU 60 - O GLU 60 2.30 7 0.14 0.35 * ++ + + ++ VdW CD GLU 60 - CB ASP 420 3.10 7 0.13 0.27 +++ ++ * + VdW CD GLU 60 - HB2 ASP 420 2.50 10 0.18 0.38 ++ + + *+ ++++ VdW OE1 GLU 60 - O ALA 416 2.60 6 0.10 0.39 + * ++ + + VdW OE2 GLU 60 - CB ASP 420 2.90 6 0.12 0.40 + + + +*+ VdW CB ALA 61 - HE22 GLN 359 2.55 7 0.18 0.63 + + ++ ++* VdW C ALA 61 - N ALA 63 2.95 16 0.24 0.35 ++++++++*++++ + ++ VdW C ALA 61 - HG LEU 65 2.50 13 0.24 0.53 * + +++++++++ + + VdW O ALA 61 - C LEU 62 2.80 16 0.26 0.35 + + ++++*++++++ + ++ VdW O ALA 61 - N ALA 63 2.75 18 0.35 0.59 ++++++++*++++++ + ++ VdW O ALA 61 - N GLN 64 2.75 16 0.26 0.49 * + +++++++++++ + ++ VdW O ALA 61 - N LEU 65 2.75 7 0.12 0.34 + + +*+++ VdW O ALA 61 - H LEU 65 1.80 8 0.13 0.36 + + + +*+++ VdW O ALA 61 - CG LEU 65 2.90 7 0.11 0.28 + ++ ++*+ VdW O ALA 61 - HG LEU 65 2.30 12 0.29 0.54 + + +++++*+++ + VdW H LEU 62 - HE21 GLN 359 1.90 12 0.22 0.57 * +++ ++ + + ++ ++ VdW HB2 LEU 62 - HE22 GLN 359 1.95 6 0.12 0.34 + ++ + * + VdW HB3 LEU 62 - HA GLU 413 2.00 8 0.16 0.44 ++ +++ + *+ VdW CD1 LEU 62 - HG3 GLN 359 2.60 6 0.09 0.40 + + ++ *+ VdW CD1 LEU 62 - OE1 GLN 359 2.90 7 0.14 0.48 +*+ + + + + VdW CD1 LEU 62 - CD1 LEU 362 3.20 8 0.18 0.52 +++ + +++ * VdW CD2 LEU 62 - NE2 GLN 359 3.05 7 0.10 0.41 ++ ++* + + VdW CA ALA 63 - O GLU 413 2.90 16 0.29 0.46 *+++++++ ++ +++++ + VdW HA ALA 63 - O GLU 413 2.30 9 0.19 0.49 *+++ + + + + + VdW CB ALA 63 - O GLU 413 2.90 19 0.42 0.59 ++++++++++++++++++* VdW CB ALA 63 - N ALA 417 3.05 13 0.28 0.49 +++ ++ ++* ++++ + VdW HB3 ALA 63 - O GLU 413 2.30 7 0.13 0.44 + + + * + ++ VdW N GLN 64 - HG2 GLN 64 2.45 6 0.13 0.34 + + +++* VdW H GLN 64 - CG GLN 64 2.55 6 0.16 0.32 + + + + +* VdW H GLN 64 - HG2 GLN 64 1.95 8 0.15 0.31 + + + + * ++ + VdW O GLN 64 - N LEU 68 2.75 20 0.38 0.62 ++++++++++++*+++++++ VdW O GLN 64 - H LEU 68 1.80 17 0.29 0.46 ++++*+++ + ++++ ++++ VdW O GLN 64 - CB LEU 68 2.90 9 0.16 0.42 ++ ++ ++*+ + VdW O GLN 64 - HB2 LEU 68 2.30 8 0.22 0.66 ++ + ++ + * + VdW N LEU 65 - CD2 LEU 65 3.05 7 0.11 0.31 + ++ *+++ VdW H LEU 65 - CG LEU 65 2.55 9 0.13 0.34 + +* +++++ + VdW HG LEU 65 - HB3 GLN 91 2.00 6 0.10 0.36 + + +++ * VdW CD2 LEU 65 - NE2 GLN 91 3.05 7 0.10 0.35 + ++ ++* + VdW CD2 LEU 65 - HE21 GLN 91 2.55 12 0.17 0.32 + +++++++++ * + VdW O LEU 65 - SG CYS 69 3.10 12 0.24 0.52 ++ + +++ +*+++ + VdW HA ARG 66 - SG CYS 69 2.80 6 0.11 0.29 + + + + *+ VdW CG GLU 67 - C GLU 67 2.90 10 0.18 0.24 + ++ + + + + + *+ VdW HG3 GLU 67 - N LEU 68 2.45 14 0.22 0.49 + +++++ ++ +* + + ++ VdW CA LEU 68 - CD1 LEU 68 3.00 7 0.11 0.25 + ++ + +* + VdW HA LEU 68 - CD1 LEU 68 2.60 11 0.19 0.48 + + ++ + +++*++ VdW HA CYS 69 - HE3 TRP 72 2.00 11 0.20 0.35 ++ + + ++ *++ ++ VdW CB CYS 69 - HD21 LEU 87 2.60 8 0.14 0.42 + + +++++* VdW HB2 CYS 69 - CD1 LEU 73 2.60 16 0.25 0.46 + ++++*++ ++ ++ ++++ VdW HB2 CYS 69 - HG LEU 87 2.00 13 0.22 0.35 ++++++ ++++ * ++ VdW HB3 CYS 69 - HD21 LEU 87 2.00 8 0.14 0.43 * + ++++++ VdW SG CYS 69 - N ARG 70 3.25 17 0.24 0.33 +++++++++++++ * + ++ VdW CG TRP 72 - C TRP 72 2.90 20 0.25 0.25 ++++++++++++*+++++++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.40 0.45 ++++++*+++++++++++++ VdW CZ3 TRP 72 - HG LEU 87 2.60 13 0.23 0.34 + + *+ +++ ++ ++++ VdW CD1 LEU 73 - CD1 LEU 87 3.20 8 0.20 0.40 ++ ++ * + + + VdW HA ARG 74 - CD PRO 75 2.60 19 0.28 0.30 *++++++++++++++ ++++ VdW C ARG 74 - H GLU 76 2.45 20 0.35 0.37 +++++++++++++*++++++ VdW HB3 PRO 75 - HG3 LYS 80 2.00 6 0.18 0.25 + + + + +* VdW O LYS 80 - HB2 LEU 84 2.30 8 0.11 0.31 + ++ +++ * + VdW O LYS 80 - HG LEU 84 2.30 7 0.14 0.35 ++ + * + + + VdW O GLU 81 - CG GLU 85 2.90 11 0.20 0.25 ++++ +* ++ + ++ VdW O MET 83 - HB3 LEU 86 2.30 12 0.28 0.53 ++ +* ++ ++++ ++ VdW O MET 83 - CD1 LEU 87 2.90 19 0.32 0.41 ++++++++++*++ ++++++ VdW HA LEU 84 - CD1 LEU 87 2.60 11 0.20 0.34 ++++++ ++ * ++ VdW O LEU 84 - HD11 LEU 87 2.30 7 0.15 0.90 ++ + * ++ + VdW O LEU 84 - HD12 LEU 87 2.30 6 0.11 0.39 *++ + + + VdW O LEU 84 - HD13 LEU 87 2.30 7 0.15 0.55 + *+ ++ ++ VdW O LEU 84 - HD23 LEU 87 2.30 10 0.16 0.37 ++++*+++ + + VdW O LEU 84 - CG2 VAL 88 2.90 15 0.21 0.47 ++++++ +++ + +*++ + VdW HG LEU 86 - N LEU 87 2.45 8 0.13 0.34 ++*+ + + ++ VdW CD2 LEU 86 - N LEU 87 3.05 10 0.16 0.32 ++ ++ ++++ +* VdW N LEU 87 - CD1 LEU 87 3.05 7 0.19 0.29 + + + *+++ VdW H LEU 87 - CD1 LEU 87 2.55 20 0.44 0.55 +++++++++++++++*++++ VdW H LEU 87 - HD11 LEU 87 1.95 6 0.13 0.46 +* + ++ + VdW H LEU 87 - HD12 LEU 87 1.95 7 0.14 0.46 +*+ + + ++ VdW H LEU 87 - HD13 LEU 87 1.95 7 0.17 0.58 + +* ++ ++ VdW CD2 LEU 87 - C LEU 87 3.10 20 0.40 0.45 *+++++++++++++++++++ VdW CD2 LEU 87 - N VAL 88 3.05 20 0.56 0.67 ++++++*+++++++++++++ VdW HD21 LEU 87 - N VAL 88 2.45 8 0.15 0.41 + ++++* ++ VdW HD22 LEU 87 - C LEU 87 2.50 11 0.27 0.54 + ++++*+++ + + VdW HD22 LEU 87 - N VAL 88 2.45 16 0.28 0.57 + ++++*+++ +++ ++ ++ VdW HD23 LEU 87 - N VAL 88 2.45 15 0.25 0.40 +++++++++*+ + ++ + VdW HG13 VAL 88 - C VAL 88 2.50 6 0.10 0.37 + ++ + + * VdW HB2 LEU 89 - CA SER 111 2.60 13 0.27 0.46 + + +++ ++++ +++* VdW HB2 LEU 89 - HA SER 111 2.00 16 0.26 0.39 ++ +++*+ +++++++++ VdW HB2 LEU 89 - C SER 111 2.50 12 0.26 0.54 + + ++++ ++ + +*+ VdW HG LEU 89 - N GLU 90 2.45 9 0.14 0.42 + + ++ + ++ +* VdW HG LEU 89 - C GLY 110 2.50 11 0.18 0.40 +++ + + +* + +++ VdW HG LEU 89 - N SER 111 2.45 9 0.15 0.68 *++ + + + +++ VdW CD1 LEU 89 - C LEU 89 3.10 8 0.17 0.45 + + *+ + ++ + VdW CD1 LEU 89 - N GLU 90 3.05 11 0.22 0.44 +++ + + ++ + +*+ VdW CD1 LEU 89 - N SER 111 3.05 8 0.11 0.31 * + ++ + ++ + VdW CD2 LEU 89 - C LEU 89 3.10 11 0.26 0.62 +++ + * ++ + +++ VdW CD2 LEU 89 - O LEU 89 2.90 10 0.14 0.39 ++ + * ++ + +++ VdW NE2 GLN 91 - C GLN 91 2.95 10 0.23 0.55 * ++ +++++ + + VdW NE2 GLN 91 - O GLN 91 2.75 12 0.27 0.53 +* ++ ++++++ + + VdW O GLN 91 - C PHE 92 2.80 17 0.25 0.32 ++++++ +++++++*++ + VdW O GLN 91 - N GLY 94 2.75 13 0.20 0.27 +++*++ ++ + +++ + VdW CD1 PHE 92 - C PHE 92 3.10 10 0.26 0.62 +++ + *+ + ++ + VdW CD1 PHE 92 - O PHE 92 2.90 7 0.10 0.28 + *+ + ++ + VdW HD1 PHE 92 - C PHE 92 2.50 10 0.35 0.83 +++ + *+ + ++ + VdW HD1 PHE 92 - O PHE 92 2.30 9 0.16 0.44 + + + ++ + +* + VdW HD1 PHE 92 - N LEU 93 2.45 8 0.16 0.47 ++ + *+ + + + VdW CE1 PHE 92 - CB ALA 116 3.20 9 0.15 0.37 + + * ++++++ VdW CE1 PHE 92 - CG GLN 359 3.20 9 0.22 0.68 + + +++*++ + VdW CE1 PHE 92 - HG3 GLN 359 2.60 10 0.18 0.38 ++ ++ *++++ + VdW CE1 PHE 92 - OE1 GLN 359 2.90 7 0.18 0.77 * + + ++ ++ VdW HE1 PHE 92 - OE1 GLN 359 2.30 7 0.11 0.38 + * + ++ ++ VdW CZ PHE 92 - CA ALA 116 3.20 20 0.51 0.61 +++++++++*++++++++++ VdW CZ PHE 92 - HA ALA 116 2.60 20 0.61 0.76 +++++*++++++++++++++ VdW CZ PHE 92 - CB ALA 116 3.20 18 0.34 0.51 ++++*+++++++++++ + + VdW CZ PHE 92 - CB GLN 359 3.20 20 0.48 0.60 +++*++++++++++++++++ VdW CZ PHE 92 - HB3 GLN 359 2.60 20 0.71 0.88 +++*++++++++++++++++ VdW CZ PHE 92 - CG GLN 359 3.20 18 0.33 0.44 ++++*+++++++++++ + + VdW CZ PHE 92 - HG3 GLN 359 2.60 10 0.22 0.51 * ++ +++++ ++ VdW HZ PHE 92 - CA ALA 116 2.60 20 0.31 0.41 +++++++++++*++++++++ VdW HZ PHE 92 - HA ALA 116 2.00 20 0.46 0.60 ++++++++++++++++++*+ VdW HZ PHE 92 - CB ALA 116 2.60 11 0.24 0.43 +++++ +++ * ++ VdW HZ PHE 92 - HB3 GLN 359 2.00 18 0.38 0.78 +*++++++++++ ++++ ++ VdW CE2 PHE 92 - CB ALA 116 3.20 10 0.15 0.42 +++ + +* + ++ + VdW CE2 PHE 92 - CG GLN 359 3.20 9 0.23 0.63 + + + *+ + ++ + VdW CE2 PHE 92 - HG3 GLN 359 2.60 11 0.18 0.42 ++++ +++ + *+ + VdW CE2 PHE 92 - OE1 GLN 359 2.90 6 0.15 0.67 *+ + + + + VdW CD2 PHE 92 - C PHE 92 3.10 10 0.25 0.58 + + + +++*++ + VdW CD2 PHE 92 - O PHE 92 2.90 9 0.11 0.34 + + + +++*+ + VdW HD2 PHE 92 - C PHE 92 2.50 10 0.32 0.76 + + + +++*++ + VdW HD2 PHE 92 - O PHE 92 2.30 10 0.16 0.45 + + + +++*++ + VdW HD2 PHE 92 - N LEU 93 2.45 6 0.13 0.41 * + +++ + VdW O PHE 92 - C LEU 93 2.80 9 0.18 0.25 ++ +++ * + ++ VdW O PHE 92 - N ALA 95 2.75 13 0.29 0.44 + ++ ++++++ ++*+ VdW O PHE 92 - H ALA 95 1.80 12 0.25 0.37 + ++ ++++*+ + ++ VdW O PHE 92 - HB2 ALA 95 2.30 7 0.10 0.31 *+ ++ + ++ VdW C LEU 93 - H ALA 95 2.45 10 0.20 0.38 + + +++++* ++ VdW O LEU 93 - CG GLN 101 2.90 8 0.18 0.26 + + *+ + + + + VdW O LEU 93 - CD GLN 101 2.80 9 0.19 0.36 ++ + *+ +++ + VdW C GLY 94 - H LEU 96 2.45 10 0.19 0.45 * + ++++++ ++ VdW C ALA 95 - CG LEU 96 3.10 10 0.12 0.27 + + ++*+++ ++ VdW C ALA 95 - HG LEU 96 2.50 10 0.23 0.51 + + ++*+++ ++ VdW N LEU 96 - HG LEU 96 2.45 16 0.21 0.27 +*++ +++++++++ ++ + VdW H LEU 96 - CG LEU 96 2.55 8 0.11 0.26 + ++ + ++* + VdW H LEU 96 - HG LEU 96 1.95 7 0.14 0.45 *+ + ++ + + VdW HB3 LEU 96 - HD2 PRO 97 2.00 13 0.23 0.36 ++ + +++ +++++ *+ VdW CD2 LEU 96 - HB VAL 119 2.60 13 0.28 0.53 +++ ++*++++ + + + VdW O LEU 96 - NE2 GLN 101 2.75 20 0.54 0.68 +++*++++++++++++++++ VdW O LEU 96 - HE21 GLN 101 1.80 12 0.23 0.35 + +++++ + ++*+ + VdW CB PRO 97 - CD PRO 98 3.20 14 0.22 0.25 +++ +++ +++++ +* + VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.30 0.35 +++++++++++++++*++++ VdW HB2 PRO 97 - CD PRO 98 2.60 13 0.21 0.27 ++ +++ +++++ +* + VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.41 0.48 +++++++++++++++*++++ VdW HG2 PRO 97 - HG13 ILE 100 2.00 13 0.20 0.32 *+++++ +++ ++++ VdW CD1 ILE 100 - O ALA 355 2.90 13 0.31 0.55 ++ +* +++ +++++ + VdW O ILE 100 - CD1 LEU 122 2.90 7 0.11 0.34 + + *+++ + VdW HA GLN 101 - CG1 VAL 104 2.60 9 0.20 0.55 +++ *+ + + + + VdW HA VAL 104 - NE2 GLN 107 2.45 7 0.18 0.30 + + *+ ++ + VdW CG2 VAL 104 - HB2 LEU 118 2.60 7 0.10 0.30 * + ++ +++ VdW CG2 VAL 104 - CD1 LEU 118 3.20 6 0.11 0.32 + + +* + + VdW O VAL 104 - HB2 GLN 107 2.30 11 0.21 0.31 *++ + ++ ++ ++ + VdW O GLN 107 - CB ARG 108 2.90 14 0.26 0.40 +++ + ++ +++ ++*++ VdW CG PRO 109 - HD13 LEU 118 2.60 6 0.09 0.37 + + + + + * VdW HG2 PRO 109 - H GLY 110 1.95 12 0.20 0.28 ++ +*+ ++ ++ +++ VdW HA GLU 113 - HB3 LEU 362 2.00 7 0.13 0.46 + + ++* ++ VdW O GLU 113 - CA ALA 363 2.90 18 0.29 0.39 +++++++ +*+ ++++++++ VdW O GLU 113 - HA ALA 363 2.30 11 0.19 0.42 ++++++ +*+ + + VdW O GLU 113 - CB ALA 363 2.90 19 0.41 0.60 ++++++++++ *++++++++ VdW H GLU 114 - CG GLU 114 2.55 12 0.21 0.41 + + +++ +* +++++ VdW O ALA 115 - HG LEU 118 2.30 14 0.23 0.41 ++ *++ + ++ ++++ ++ VdW CA ALA 116 - HA GLU 360 2.60 6 0.15 0.38 * ++ + + + VdW CB ALA 116 - C GLN 359 3.10 6 0.12 0.27 * + + + + + VdW CB ALA 116 - O GLN 359 2.90 20 0.49 0.70 +++++++++++++++++++* VdW CB ALA 116 - CA GLU 360 3.20 17 0.26 0.36 + ++++ +++++++++++ * VdW CB ALA 116 - HA GLU 360 2.60 19 0.36 0.46 ++++++++*+++++++++ + VdW HB2 ALA 116 - C GLN 359 2.50 9 0.21 0.62 + ++++ + + + * VdW HB2 ALA 116 - O GLN 359 2.30 9 0.32 1.01 + ++++ + + + * VdW HB3 ALA 116 - C GLN 359 2.50 6 0.16 0.62 +++ * + + VdW HB3 ALA 116 - O GLN 359 2.30 6 0.19 0.79 +++ + + * VdW C ALA 116 - HA GLU 360 2.50 12 0.20 0.31 ++++++ *+ + ++ + VdW O ALA 116 - HA GLU 360 2.30 18 0.31 0.40 +++++*++++++++++ ++ VdW O ALA 116 - OE1 GLU 360 2.60 10 0.24 0.64 ++ ++*+++ + + VdW N ALA 117 - CB ALA 363 3.05 14 0.27 0.44 +++ +++ +*+++ + ++ VdW H LEU 118 - CG LEU 118 2.55 18 0.32 0.35 +++++++++++ ++++ +*+ VdW H LEU 118 - HG LEU 118 1.95 15 0.27 0.37 + +++++ ++ ++++ ++* VdW H VAL 119 - CG1 VAL 119 2.55 17 0.31 0.43 +++++++++++ ++++ +* VdW CG2 VAL 119 - C VAL 119 2.90 16 0.23 0.33 +++++++++++ ++++ * VdW CG2 VAL 119 - N ASP 120 3.05 8 0.14 0.25 + ++ +++ * + VdW CB ASP 120 - CD GLU 360 3.10 6 0.13 0.31 + * + + ++ VdW CB ASP 120 - OE1 GLU 360 2.90 14 0.22 0.38 ++++*+++++++ + + VdW HB2 ASP 120 - CD GLU 360 2.50 10 0.18 0.41 + + + ++++ +* + VdW HA2 GLY 339 - CD PRO 340 2.60 12 0.20 0.22 ++++ *+ + +++ ++ VdW CB PHE 347 - HB3 LEU 368 2.60 6 0.12 0.29 * + + + + + VdW HB2 PHE 347 - CB LEU 368 2.60 10 0.17 0.35 + +++* ++ + + + VdW HB2 PHE 347 - HB3 LEU 368 2.00 14 0.33 0.53 ++ ++ ++++* +++ + + VdW CG PHE 347 - C PHE 347 2.90 20 0.22 0.24 ++++++++++*+++++++++ VdW CE1 PHE 347 - HZ3 TRP 372 2.60 8 0.11 0.28 + +*+ + + + + VdW CE1 PHE 347 - CD2 LEU 387 3.20 7 0.12 0.33 + + ++ ++* VdW CZ PHE 347 - CB GLN 391 3.20 6 0.15 0.26 + + + ++ * VdW CZ PHE 347 - HB2 GLN 391 2.60 20 0.38 0.52 ++*+++++++++++++++++ VdW CE2 PHE 347 - CD2 LEU 387 3.20 9 0.13 0.33 + +++ * + ++ + VdW HA ARG 348 - CD GLN 391 2.50 13 0.23 0.53 ++++ +++ +++++* VdW HA ARG 348 - OE1 GLN 391 2.30 12 0.21 0.35 +*++ + + +++++ + VdW CD1 PHE 350 - CB ALA 361 3.20 8 0.13 0.32 + + * ++ + ++ VdW CE1 PHE 350 - CB ALA 361 3.20 10 0.12 0.24 ++++ + ++ * ++ VdW CZ PHE 350 - CG GLU 360 3.20 6 0.11 0.30 + ++ + +* VdW CZ PHE 350 - N ALA 361 3.05 14 0.28 0.43 ++ + ++ ++ +++ ++*+ VdW HZ PHE 350 - CB GLU 360 2.60 20 0.37 0.49 ++++++++++++++++++*+ VdW HZ PHE 350 - HB3 GLU 360 2.00 18 0.34 0.53 +* +++++++ +++++++++ VdW HZ PHE 350 - CG GLU 360 2.60 14 0.24 0.42 +++++++ ++*+++ + VdW CG HIS 351 - O HIS 351 2.90 20 0.52 0.57 +++++++*++++++++++++ VdW ND1 HIS 351 - O HIS 351 2.80 8 0.20 0.36 + ++ ++* + + VdW N TYR 352 - O ALA 395 2.75 9 0.15 0.40 + *+ + + +++ + VdW CB TYR 352 - C GLY 357 3.10 16 0.29 0.41 ++++++++ +++++++* VdW CB TYR 352 - O GLY 357 2.90 9 0.19 0.38 + ++ ++ + *+ + VdW CB TYR 352 - CA PRO 358 3.20 7 0.15 0.28 +++ ++ * + VdW CB TYR 352 - HA PRO 358 2.60 16 0.27 0.42 +*++++ ++++++++ ++ VdW CB TYR 352 - O ALA 395 2.90 8 0.14 0.32 + ++ + + *+ + VdW HB2 TYR 352 - C GLY 357 2.50 20 0.42 0.68 +++++++++++++++++++* VdW HB2 TYR 352 - O GLY 357 2.30 20 0.56 0.76 ++++++++++++++*+++++ VdW HB2 TYR 352 - CA PRO 358 2.60 9 0.16 0.35 + + ++++ + +* VdW HB2 TYR 352 - HA PRO 358 2.00 8 0.17 0.40 + + ++++ + * VdW HB3 TYR 352 - C ALA 395 2.50 16 0.37 0.54 ++++ ++ ++++++ *+++ VdW HB3 TYR 352 - O ALA 395 2.30 14 0.29 0.54 + +++++++ ++ *+ ++ VdW CG TYR 352 - C TYR 352 2.90 20 0.24 0.24 +++*++++++++++++++++ VdW CG TYR 352 - O TYR 352 2.90 6 0.13 0.26 + + + + +* VdW CG TYR 352 - C GLY 357 3.10 20 0.38 0.55 +++++++++++++++*++++ VdW CG TYR 352 - N PRO 358 3.05 18 0.35 0.48 *+++++++++++++++++ VdW CD1 TYR 352 - C TYR 352 3.10 7 0.15 0.55 + + + +++* VdW CD1 TYR 352 - N GLY 357 3.05 7 0.12 0.53 + + + ++*+ VdW CD1 TYR 352 - CA GLY 357 3.20 7 0.28 0.84 + + + +++* VdW CD1 TYR 352 - HA2 GLY 357 2.60 7 0.28 1.08 + + + +++* VdW CD1 TYR 352 - C GLY 357 3.10 6 0.14 0.58 + + * +++ VdW CD1 TYR 352 - HD3 PRO 358 2.60 11 0.18 0.53 *++ +++ +++++ VdW CD1 TYR 352 - O ALA 395 2.90 7 0.22 0.68 + + +*++ + VdW CD1 TYR 352 - HA LEU 396 2.60 10 0.19 0.42 +++ *++ + ++ + VdW HD1 TYR 352 - N GLY 357 2.45 7 0.17 0.69 + + + ++*+ VdW HD1 TYR 352 - H GLY 357 1.95 7 0.18 0.69 + + + ++*+ VdW HD1 TYR 352 - CA GLY 357 2.60 7 0.13 0.50 + + + +*++ VdW HD1 TYR 352 - C ALA 395 2.50 6 0.13 0.38 ++ * + + + VdW HD1 TYR 352 - O ALA 395 2.30 8 0.30 0.89 * + ++++ + + VdW HD1 TYR 352 - N LEU 396 2.45 6 0.10 0.46 ++ + * + + VdW HD1 TYR 352 - CA LEU 396 2.60 11 0.16 0.32 +++ +++ ++ +* + VdW HD1 TYR 352 - HA LEU 396 2.00 11 0.19 0.39 ++ +* ++++++ + VdW CE1 TYR 352 - CA GLY 357 3.20 6 0.11 0.48 + + * +++ VdW CE1 TYR 352 - HA2 GLY 357 2.60 7 0.25 0.83 + + * ++++ VdW CE1 TYR 352 - HD3 PRO 358 2.60 12 0.30 0.68 +++ +++ +++++ * VdW CZ TYR 352 - HD3 PRO 358 2.60 14 0.28 0.59 ++++++++++ + +* + VdW CE2 TYR 352 - CA GLY 357 3.20 12 0.24 0.49 ++ +++ ++++++ * VdW CE2 TYR 352 - HA2 GLY 357 2.60 13 0.49 0.87 +++ +++ +++*++ + VdW CE2 TYR 352 - HD3 PRO 358 2.60 7 0.20 0.66 + + * ++++ VdW CD2 TYR 352 - C TYR 352 3.10 13 0.24 0.50 *++ +++ ++++++ + VdW CD2 TYR 352 - N GLY 357 3.05 13 0.18 0.38 +++ +++ ++++++ * VdW CD2 TYR 352 - CA GLY 357 3.20 13 0.52 0.87 +++ +++ +++*++ + VdW CD2 TYR 352 - HA2 GLY 357 2.60 13 0.51 0.97 +++ +++ +++*++ + VdW CD2 TYR 352 - C GLY 357 3.10 12 0.30 0.58 ++ +++ ++++++ * VdW CD2 TYR 352 - HD3 PRO 358 2.60 7 0.12 0.61 + + + +++* VdW CD2 TYR 352 - HA LEU 396 2.60 7 0.13 0.44 * + + ++++ VdW HD2 TYR 352 - N GLY 357 2.45 13 0.30 0.55 +++ +++ +++++* + VdW HD2 TYR 352 - H GLY 357 1.95 13 0.30 0.55 +++ +++ ++++*+ + VdW HD2 TYR 352 - CA GLY 357 2.60 13 0.28 0.60 +++ +++ *+++++ + VdW HD2 TYR 352 - N LEU 396 2.45 6 0.11 0.46 + + + + *+ VdW HD2 TYR 352 - CA LEU 396 2.60 6 0.09 0.33 + + + ++* VdW H GLU 353 - CG GLU 353 2.55 10 0.19 0.28 ++ ++ + ++ ++ * VdW C GLU 353 - N ALA 355 2.95 20 0.34 0.40 ++++*+++++++++++++++ VdW C GLU 353 - H ALA 355 2.45 20 0.48 0.58 ++++++*+++++++++++++ VdW O GLU 353 - N ALA 355 2.75 20 0.40 0.54 ++++*+++++++++++++++ VdW O GLU 353 - N THR 356 2.75 6 0.09 0.24 + + +*+ + VdW CG2 THR 356 - C THR 356 2.90 19 0.27 0.32 ++ ++*++++++++++++++ VdW CG2 THR 356 - N GLY 357 3.05 17 0.30 0.43 ++++++++++++++ +* + VdW HG21 THR 356 - C THR 356 2.50 7 0.11 0.30 + ++ ++ *+ VdW CA PRO 358 - CB ALA 395 3.20 20 0.49 0.67 *+++++++++++++++++++ VdW CA PRO 358 - HB1 ALA 395 2.60 14 0.46 1.02 + ++ ++++ + +*+++ + VdW CA PRO 358 - HB2 ALA 395 2.60 6 0.18 0.82 + + +*++ VdW HA PRO 358 - CB ALA 395 2.60 11 0.32 0.83 * + ++ + ++ ++ ++ VdW HA PRO 358 - HB1 ALA 395 2.00 12 0.27 0.59 + + ++++ + *+++ + VdW HA PRO 358 - HB2 ALA 395 2.00 6 0.11 0.59 + + +++* VdW CB PRO 358 - CB ALA 395 3.20 20 0.64 0.75 +*++++++++++++++++++ VdW CB PRO 358 - HB1 ALA 395 2.60 12 0.31 0.75 ++++ ++ ++++* + VdW CB PRO 358 - HB2 ALA 395 2.60 6 0.20 0.84 + + + + +* VdW CB PRO 358 - HB3 ALA 395 2.60 14 0.33 0.83 ++++ ++++ ++*+++ VdW CB PRO 358 - O ALA 395 2.90 8 0.26 0.74 * + ++++ + + VdW HB2 PRO 358 - CB ALA 395 2.60 15 0.27 0.46 +++++ ++++*++++ + VdW HB3 PRO 358 - CB ALA 395 2.60 10 0.26 0.69 ++ + ++ ++ + +* VdW HB3 PRO 358 - HB3 ALA 395 2.00 7 0.18 0.82 + * ++ + + + VdW HB3 PRO 358 - C ALA 395 2.50 7 0.09 0.32 * + ++++ + VdW HB3 PRO 358 - O ALA 395 2.30 8 0.40 1.12 * + ++++ + + VdW C PRO 358 - HB1 ALA 395 2.50 9 0.21 0.56 + + +* + ++++ VdW O PRO 358 - HB1 ALA 395 2.30 8 0.17 0.52 + + ++ * + ++ VdW HA GLN 359 - CD GLN 359 2.50 13 0.25 0.43 +++++ +++++ ++ * VdW HA GLN 359 - OE1 GLN 359 2.30 10 0.16 0.49 +++ + +++ * + + VdW C GLN 359 - N ALA 361 2.95 16 0.24 0.34 ++ +++++++ ++++*++ VdW C GLN 359 - H ALA 361 2.45 16 0.26 0.41 ++ +++++++ ++++*++ VdW O GLN 359 - N ALA 361 2.75 13 0.26 0.44 ++ ++ + + ++++*++ VdW HG3 GLU 360 - C GLU 360 2.50 9 0.19 0.37 + + + ++ + *+ + VdW HG3 GLU 360 - O GLU 360 2.30 10 0.19 0.40 ++ + + * ++++ + VdW C ALA 361 - N ALA 363 2.95 9 0.19 0.27 + + +*++ +++ VdW C ALA 361 - HG LEU 365 2.50 7 0.14 0.47 *+++ + ++ VdW O ALA 361 - C LEU 362 2.80 13 0.22 0.33 + + ++ +++++*+++ VdW O ALA 361 - N ALA 363 2.75 11 0.26 0.44 + + +++++*+++ VdW O ALA 361 - N GLN 364 2.75 9 0.17 0.48 + + ++++ + *+ VdW O ALA 361 - N LEU 365 2.75 6 0.16 0.35 * ++ + + + VdW O ALA 361 - H LEU 365 1.80 6 0.16 0.35 * ++ + + + VdW O ALA 361 - HG LEU 365 2.30 6 0.14 0.56 +++* ++ VdW N GLN 364 - HG2 GLN 364 2.45 6 0.14 0.35 ++* + ++ VdW H GLN 364 - HG2 GLN 364 1.95 11 0.17 0.36 ++*++ ++ + + ++ VdW HB3 GLN 364 - CD2 LEU 368 2.60 6 0.10 0.32 + * + ++ + VdW O GLN 364 - N LEU 368 2.75 19 0.40 0.63 +++++++ ++++*+++++++ VdW O GLN 364 - H LEU 368 1.80 18 0.29 0.42 +++++++ ++ *++++++++ VdW O GLN 364 - CB LEU 368 2.90 9 0.16 0.36 ++ + ++ ++ * + VdW O GLN 364 - HB2 LEU 368 2.30 11 0.25 0.57 +++++ + *+ + + + VdW HG LEU 365 - HB3 GLN 391 2.00 12 0.20 0.45 +++*+++++++ + VdW CD1 LEU 365 - HE21 GLN 391 2.55 7 0.12 0.38 ++*++ ++ VdW O LEU 365 - SG CYS 369 3.10 10 0.20 0.55 + + +++*+++ + VdW CG GLU 367 - C GLU 367 2.90 11 0.19 0.24 + ++ +++* + + + + VdW HG3 GLU 367 - N LEU 368 2.45 10 0.18 0.50 + + ++ + +* + ++ VdW CA LEU 368 - CD1 LEU 368 3.00 9 0.13 0.26 + ++ +* + + + + VdW HA LEU 368 - CD1 LEU 368 2.60 12 0.23 0.49 + ++ +* +++++ + + VdW HA CYS 369 - HE3 TRP 372 2.00 14 0.23 0.36 +++++++ +*+ + + ++ VdW CB CYS 369 - HD21 LEU 387 2.60 8 0.13 0.32 + ++ +++* + VdW HB2 CYS 369 - CD1 LEU 373 2.60 15 0.29 0.46 +++ ++++ +* ++ ++++ VdW HB2 CYS 369 - HG LEU 387 2.00 11 0.19 0.31 +* ++++++ + ++ VdW HB3 CYS 369 - HD21 LEU 387 2.00 7 0.13 0.33 * +++ + + + VdW SG CYS 369 - N ARG 370 3.25 14 0.22 0.32 +* ++++++ +++ + ++ VdW CG TRP 372 - C TRP 372 2.90 20 0.25 0.26 +++++++++*++++++++++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.40 0.47 *+++++++++++++++++++ VdW CZ3 TRP 372 - HG LEU 387 2.60 10 0.21 0.32 + +++ * ++ ++ + VdW CD1 LEU 373 - CD1 LEU 387 3.20 8 0.19 0.36 +++ ++* + + VdW HA ARG 374 - CD PRO 375 2.60 18 0.28 0.30 +++++++++ ++++* ++++ VdW C ARG 374 - H GLU 376 2.45 20 0.34 0.38 +++++++++++++++++*++ VdW O LYS 380 - HB2 LEU 384 2.30 10 0.13 0.30 +++++ + +* ++ VdW O LYS 380 - HG LEU 384 2.30 6 0.12 0.37 + +*+ + + VdW O GLU 381 - CG GLU 385 2.90 9 0.20 0.28 *+ + +++ +++ VdW O MET 383 - HB3 LEU 386 2.30 12 0.25 0.49 + +++* +++++++ VdW O MET 383 - CG LEU 386 2.90 7 0.13 0.30 + + + ++ * + VdW O MET 383 - CD1 LEU 387 2.90 20 0.32 0.40 ++++++++++++++*+++++ VdW N LEU 384 - CD1 LEU 384 3.05 11 0.13 0.28 +++++++ ++ +* VdW HA LEU 384 - CD1 LEU 387 2.60 10 0.18 0.27 + + + + * + ++++ VdW C LEU 384 - N LEU 386 2.95 6 0.11 0.29 + + + +*+ VdW C LEU 384 - H LEU 386 2.45 6 0.17 0.45 + + + ++* VdW C LEU 384 - CG1 VAL 388 3.10 6 0.11 0.42 + + + +*+ VdW O LEU 384 - HD11 LEU 387 2.30 6 0.13 0.66 ++ + +* + VdW O LEU 384 - HD12 LEU 387 2.30 6 0.14 0.67 +++ + + * VdW O LEU 384 - HD13 LEU 387 2.30 7 0.17 0.68 + +++ ++ * VdW O LEU 384 - HD23 LEU 387 2.30 10 0.19 0.55 + +++++++* + VdW O LEU 384 - CG1 VAL 388 2.90 6 0.19 0.66 * + + +++ VdW O LEU 384 - CG2 VAL 388 2.90 8 0.16 0.41 +++ +++* + VdW HA GLU 385 - CG1 VAL 388 2.60 6 0.10 0.39 + + * +++ VdW HG LEU 386 - N LEU 387 2.45 8 0.15 0.34 +++++ + + * VdW N LEU 387 - CD1 LEU 387 3.05 11 0.21 0.26 + + ++ +++ + *+ + VdW H LEU 387 - CD1 LEU 387 2.55 20 0.43 0.51 +++++++++++++++*++++ VdW H LEU 387 - HD11 LEU 387 1.95 7 0.15 0.56 ++ + + +* + VdW H LEU 387 - HD12 LEU 387 1.95 6 0.14 0.53 *++ + + + VdW H LEU 387 - HD13 LEU 387 1.95 7 0.16 0.58 + +++ *+ + VdW CD2 LEU 387 - C LEU 387 3.10 20 0.37 0.44 +++++++++++++++++++* VdW CD2 LEU 387 - N VAL 388 3.05 20 0.56 0.68 +++++++++++++++++*++ VdW CD2 LEU 387 - H VAL 388 2.55 6 0.13 0.35 + + + ++* VdW HD21 LEU 387 - N VAL 388 2.45 8 0.17 0.62 + +*+++ ++ VdW HD22 LEU 387 - C LEU 387 2.50 11 0.26 0.54 + ++++++++ + * VdW HD22 LEU 387 - N VAL 388 2.45 16 0.31 0.60 * ++++++++ +++ ++ ++ VdW HD23 LEU 387 - N VAL 388 2.45 14 0.23 0.57 +++++++++++ + * + VdW N VAL 388 - CG1 VAL 388 2.85 6 0.07 0.24 * + + +++ VdW H VAL 388 - CG1 VAL 388 2.55 6 0.13 0.45 * + + +++ VdW CG2 VAL 388 - C VAL 388 2.90 6 0.10 0.33 * + + +++ VdW HB2 LEU 389 - CA SER 411 2.60 15 0.28 0.47 +++++ *+++++ +++ + VdW HB2 LEU 389 - HA SER 411 2.00 16 0.29 0.48 +++++ +*+++++ +++ + VdW HB2 LEU 389 - C SER 411 2.50 12 0.25 0.44 + ++ ++ + * +++ ++ VdW CG LEU 389 - N GLU 390 3.05 9 0.13 0.28 *+ ++ ++ ++ + VdW HG LEU 389 - N GLU 390 2.45 10 0.15 0.36 ++ ++ +++ *+ + VdW HG LEU 389 - C GLY 410 2.50 9 0.16 0.39 +++ ++ + *+ + VdW HG LEU 389 - N SER 411 2.45 6 0.11 0.47 + + + ++ * VdW CD1 LEU 389 - C LEU 389 3.10 10 0.21 0.43 ++ ++ +*+ ++ + VdW CD1 LEU 389 - N GLU 390 3.05 10 0.21 0.44 *++ ++ + ++ + + VdW CD1 LEU 389 - N SER 411 3.05 9 0.14 0.32 ++ ++ ++ ++ * VdW CD2 LEU 389 - C LEU 389 3.10 10 0.26 0.65 +++ ++ + ++ * + VdW CD2 LEU 389 - O LEU 389 2.90 10 0.15 0.38 +++ ++ + ++ * + VdW HA GLN 391 - OE1 GLN 391 2.30 7 0.14 0.37 + + + + *+ + VdW CD GLN 391 - O GLN 391 2.80 7 0.15 0.34 + ++ +* + + VdW NE2 GLN 391 - C GLN 391 2.95 6 0.12 0.45 ++*+ + + VdW NE2 GLN 391 - O GLN 391 2.75 7 0.18 0.49 +*++ + + + VdW O GLN 391 - C PHE 392 2.80 14 0.23 0.31 ++*++ ++ +++++ + + VdW O GLN 391 - N GLY 394 2.75 8 0.19 0.27 +*++ ++ + + VdW CD1 PHE 392 - C PHE 392 3.10 10 0.26 0.57 *+ ++ + ++ ++ + VdW CD1 PHE 392 - O PHE 392 2.90 6 0.11 0.32 ++ + ++ * VdW HD1 PHE 392 - C PHE 392 2.50 10 0.34 0.79 *+ ++ + ++ ++ + VdW HD1 PHE 392 - O PHE 392 2.30 7 0.15 0.49 ++ ++ ++ * VdW HD1 PHE 392 - N LEU 393 2.45 9 0.16 0.44 + ++ + ++ +* + VdW CE1 PHE 392 - CB ALA 416 3.20 9 0.14 0.38 + ++ + *++ ++ VdW CZ PHE 392 - CA ALA 416 3.20 20 0.48 0.55 +++++++++++++++++*++ VdW CZ PHE 392 - HA ALA 416 2.60 20 0.56 0.71 +++++++++++++*++++++ VdW CZ PHE 392 - CB ALA 416 3.20 14 0.32 0.50 +++++ ++++++ +* + VdW CZ PHE 392 - HB2 ALA 416 2.60 6 0.10 0.34 * +++ + + VdW HZ PHE 392 - CA ALA 416 2.60 18 0.29 0.52 ++ +++++++++++++*++ VdW HZ PHE 392 - HA ALA 416 2.00 20 0.44 0.69 +++++++++++++++++*++ VdW HZ PHE 392 - CB ALA 416 2.60 13 0.23 0.49 +++++ ++++ + +* + VdW HZ PHE 392 - HB2 ALA 416 2.00 7 0.12 0.45 * +++ + + + VdW CE2 PHE 392 - CB ALA 416 3.20 9 0.14 0.35 ++ *+ + + ++ + VdW CD2 PHE 392 - C PHE 392 3.10 10 0.27 0.62 + +* + +++ ++ + VdW CD2 PHE 392 - O PHE 392 2.90 10 0.14 0.38 + ++ + *++ ++ + VdW HD2 PHE 392 - C PHE 392 2.50 10 0.35 0.83 + +* + +++ ++ + VdW HD2 PHE 392 - O PHE 392 2.30 10 0.18 0.48 + ++ + *++ ++ + VdW HD2 PHE 392 - N LEU 393 2.45 10 0.15 0.44 + +* + +++ ++ + VdW O PHE 392 - N ALA 395 2.75 12 0.22 0.41 +++++ ++++ *+ + VdW O PHE 392 - H ALA 395 1.80 9 0.18 0.33 ++*++ + + + + VdW C LEU 393 - H ALA 395 2.45 9 0.19 0.39 + + +++* + ++ VdW O LEU 393 - CD GLN 401 2.80 9 0.19 0.31 + + +*+ + ++ + VdW C GLY 394 - H LEU 396 2.45 8 0.14 0.40 + + +*++ + + VdW C ALA 395 - CG LEU 396 3.10 6 0.08 0.23 * + ++ + + VdW C ALA 395 - HG LEU 396 2.50 8 0.17 0.47 * + ++++ + + VdW N LEU 396 - HG LEU 396 2.45 14 0.18 0.27 + + +++*++++ ++ + + VdW H LEU 396 - CG LEU 396 2.55 8 0.14 0.29 ++ + + + * ++ VdW H LEU 396 - HG LEU 396 1.95 7 0.13 0.49 + + ++ ++ * VdW HB3 LEU 396 - HD2 PRO 397 2.00 9 0.19 0.30 + + +++ + *++ VdW CD2 LEU 396 - HB VAL 419 2.60 11 0.22 0.52 + +++ + + ++* + + VdW O LEU 396 - NE2 GLN 401 2.75 20 0.53 0.72 ++++*+++++++++++++++ VdW O LEU 396 - HE21 GLN 401 1.80 11 0.23 0.38 ++ ++++ + +* ++ VdW CB PRO 397 - CD PRO 398 3.20 16 0.22 0.25 +*++ ++++++++ ++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.31 0.34 +*++++++++++++++++++ VdW HB2 PRO 397 - CD PRO 398 2.60 14 0.22 0.27 +*++ ++ +++++ +++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.43 0.48 +*++++++++++++++++++ VdW HG2 PRO 397 - HG13 ILE 400 2.00 16 0.22 0.29 ++++*+ + + ++ ++++++ VdW HA GLN 401 - CG1 VAL 404 2.60 9 0.20 0.48 ++ + ++ +* ++ VdW CG2 VAL 404 - HB2 LEU 418 2.60 9 0.16 0.45 + +++ ++ +* + VdW O VAL 404 - HB2 GLN 407 2.30 10 0.21 0.29 + ++ * + +++ ++ VdW O GLN 407 - CB ARG 408 2.90 16 0.27 0.37 ++ +++++ +++++ +*++ VdW HG2 PRO 409 - H GLY 410 1.95 11 0.19 0.29 + ++++ *+ ++ + + VdW H GLU 414 - CG GLU 414 2.55 11 0.21 0.40 ++ +*+ ++ ++++ VdW H GLU 414 - HG2 GLU 414 1.95 6 0.13 0.33 * ++ + ++ VdW CG GLU 414 - C GLU 414 2.90 6 0.07 0.24 + +* + + + VdW HG3 GLU 414 - C GLU 414 2.50 6 0.12 0.46 + +* + + + VdW O ALA 415 - HG LEU 418 2.30 11 0.24 0.46 * +++ ++ ++++ + VdW H LEU 418 - CG LEU 418 2.55 17 0.31 0.35 ++ ++++++++ +++++* + VdW H LEU 418 - HG LEU 418 1.95 16 0.27 0.40 + ++++*+++ ++++++ + VdW H VAL 419 - CG1 VAL 419 2.55 14 0.25 0.43 ++++++ + + +*+ +++ VdW CG2 VAL 419 - C VAL 419 2.90 13 0.19 0.31 ++++++ + + +*+ ++ Angle PSI ARG 44 -54.00 -34.00 8 4.65 7.10 +++ + +* + + Angle PSI LEU 45 -52.00 -32.00 10 4.35 7.43 + + ++++ ++ * + Angle PSI ARG 46 -48.00 -28.00 13 6.17 10.15 ++++++ ++ ++ *++ Angle PSI ARG 48 -34.00 -4.00 20 17.27 20.81 ++++++++++++++*+++++ Angle PSI CYS 49 -51.00 -5.00 20 16.72 22.74 ++++*+++++++++++++++ Angle PHI PHE 50 -112.00 -54.00 9 4.57 11.43 ++ + +++ +* + Angle PHI HIS 51 -128.00 -90.00 8 4.10 8.54 ++ ++ + +* + Angle PSI HIS 51 99.00 143.00 7 3.77 11.68 * ++ + + ++ Angle PSI TYR 52 120.00 140.00 6 3.05 13.09 * + ++ + + Angle PHI GLU 54 -70.00 -50.00 8 4.38 11.22 + *+ ++ ++ + Angle PSI GLU 54 -38.00 -16.00 13 6.96 12.41 + * + ++++++++ ++ Angle PHI ALA 55 -80.00 -58.00 20 23.74 49.27 *+++++++++++++++++++ Angle PHI THR 56 -112.00 -82.00 10 6.34 19.85 + ++ ++ *++ ++ Angle PSI THR 56 -15.00 15.00 20 31.22 46.36 +++++++++++++*++++++ Angle PHI GLN 59 -77.00 -57.00 18 9.73 14.23 ++++++++*+++++++++ Angle PHI GLU 60 -75.00 -55.00 19 12.52 22.05 *+++++++++++++ +++++ Angle PSI GLU 60 -54.00 -34.00 19 14.46 19.65 +++++++++++++++++ +* Angle PSI ALA 61 -53.00 -33.00 17 11.48 20.88 ++*+++++++++++++ + Angle PHI LEU 62 -71.00 -51.00 20 17.73 25.36 ++++++++*+++++++++++ Angle PSI ALA 63 -48.00 -28.00 10 4.63 16.83 + +++ +++ * + + Angle PSI ARG 66 -50.00 -30.00 6 2.74 9.39 + ++ + *+ Angle PHI GLU 67 -79.00 -59.00 17 7.90 12.45 + +++++++*+++ +++++ Angle PHI GLN 71 -76.00 -56.00 11 4.42 9.73 + +++++ + ++ + * Angle PSI GLN 71 -47.00 -17.00 18 8.05 11.14 ++++*+++++++++ ++++ Angle PSI VAL 77 -29.00 -5.00 19 7.94 10.17 +++++++++++++*++ +++ Angle PSI LYS 80 -48.00 -28.00 19 8.96 11.67 +*+++++++++ ++++++++ Angle PSI GLU 81 -50.00 -30.00 20 8.73 10.64 ++++++++++++++++*+++ Angle PHI GLN 82 -76.00 -56.00 16 10.82 16.16 ++++ ++ ++*+++++ ++ Angle PHI MET 83 -75.00 -55.00 7 3.98 7.54 ++ + + + +* Angle PSI MET 83 -52.00 -32.00 10 4.86 9.04 ++ + ++* ++ ++ Angle PHI LEU 84 -73.00 -53.00 7 4.12 6.41 ++ * + + ++ Angle PSI GLU 85 -54.00 -34.00 20 18.66 28.70 +++++++*++++++++++++ Angle PHI LEU 87 -77.00 -57.00 20 15.71 24.61 ++++++*+++++++++++++ Angle PSI GLU 90 -52.00 -32.00 17 7.51 13.29 +++ ++ ++++++ +++*++ Angle PHI GLN 91 -74.00 -54.00 17 7.51 15.49 *+++++ +++++ ++++++ Angle PHI PHE 92 -74.00 -54.00 20 19.72 25.96 +++++++++++++++*++++ Angle PHI LEU 93 -72.00 -52.00 19 12.33 17.24 ++++++++++++*++++++ Angle PHI GLY 94 -80.00 -56.00 9 4.03 11.36 ++ + ++ +*+ + Angle PSI PRO 97 132.20 154.90 20 26.48 28.53 +++++++++++++++*++++ Angle PSI PRO 98 -46.00 -28.00 20 12.14 17.25 ++++*+++++++++++++++ Angle PHI GLU 99 -76.00 -56.00 19 8.88 14.06 +++ ++++++++++*+++++ Angle PHI ALA 102 -72.00 -52.00 20 10.05 14.25 ++++++++++++++++++*+ Angle PHI ARG 103 -73.00 -53.00 20 9.83 13.47 ++++++++++++++*+++++ Angle PSI VAL 104 -54.00 -34.00 14 8.52 22.26 ++++++ *+++++ + + Angle PHI GLY 106 -79.00 -59.00 20 9.31 14.07 +++++*++++++++++++++ Angle PSI GLY 106 -40.00 -6.00 20 12.25 23.69 +++++++++++++++++++* Angle PHI GLY 110 58.00 92.00 20 12.49 23.24 +++++*++++++++++++++ Angle PHI GLU 113 -75.00 -55.00 16 7.10 10.83 *+ ++++++ +++ ++ +++ Angle PSI GLU 113 -51.00 -31.00 10 5.16 10.91 *+ + +++ + +++ Angle PHI LEU 118 -79.00 -59.00 14 5.92 11.37 + +++++ ++ +++* + + Angle PHI VAL 119 -74.00 -54.00 20 10.71 15.09 +++++++++++*++++++++ Angle PHI ASP 120 -69.00 -49.00 18 15.08 21.45 +++++*++++++++++ + + Angle PSI ARG 344 -54.00 -34.00 13 5.35 8.52 ++++ ++ +* + ++ ++ Angle PSI LEU 345 -52.00 -32.00 8 4.56 8.01 ++ + + ++ * + Angle PSI ARG 346 -48.00 -28.00 14 6.35 9.84 +++++ +++ * +++ + + Angle PSI ARG 348 -34.00 -4.00 20 18.14 23.29 +++++++++++++++++++* Angle PHI CYS 349 -106.00 -66.00 7 3.90 7.63 +++ *+ + + Angle PSI CYS 349 -51.00 -5.00 20 16.22 21.89 +++*++++++++++++++++ Angle PHI PHE 350 -112.00 -54.00 6 4.20 8.57 ++ + + + * Angle PHI HIS 351 -128.00 -90.00 6 4.36 8.96 + + + + * + Angle PHI GLU 354 -70.00 -50.00 11 4.61 10.06 ++ ++ ++ ++* ++ Angle PSI GLU 354 -38.00 -16.00 16 6.89 11.09 ++*++++++++++ ++ + Angle PHI ALA 355 -80.00 -58.00 20 22.74 36.17 ++++++++++++++++++*+ Angle PSI ALA 355 -50.00 -30.00 8 3.65 9.32 + ++ +* ++ + Angle PHI THR 356 -112.00 -82.00 12 8.45 15.53 ++ ++ ++ +*+++ + Angle PSI THR 356 -15.00 15.00 20 36.72 60.39 *+++++++++++++++++++ Angle PHI GLN 359 -77.00 -57.00 19 10.71 17.79 +++++++++*+++++++++ Angle PHI GLU 360 -75.00 -55.00 20 11.42 18.24 ++++++++++++++++++*+ Angle PSI GLU 360 -54.00 -34.00 20 13.49 18.97 ++++++++++++*+++++++ Angle PSI ALA 361 -53.00 -33.00 17 10.08 19.44 +++++++++++*+++ ++ Angle PHI LEU 362 -71.00 -51.00 20 14.61 23.39 ++++++++++++++++*+++ Angle PSI ALA 363 -48.00 -28.00 13 6.19 21.70 ++*++ ++++ ++++ Angle PSI GLN 364 -51.00 -31.00 9 4.09 10.28 +++ +++ ++* Angle PHI GLU 367 -79.00 -59.00 15 7.69 15.46 + * + ++++ +++++ +++ Angle PHI LEU 368 -74.00 -54.00 7 4.01 11.36 ++ + + +* + Angle PHI GLN 371 -76.00 -56.00 12 5.32 10.25 ++*++ ++ + ++ ++ Angle PSI GLN 371 -47.00 -17.00 19 8.38 13.55 ++*++++++++++++ ++++ Angle PSI VAL 377 -29.00 -5.00 18 7.50 10.14 +++++++++++++*+ +++ Angle PSI LYS 380 -48.00 -28.00 20 9.48 13.03 +++++++++*++++++++++ Angle PSI GLU 381 -50.00 -30.00 20 8.48 10.70 ++++++++++++*+++++++ Angle PHI GLN 382 -76.00 -56.00 14 9.44 15.94 ++ + +++*+++++ ++ Angle PHI MET 383 -75.00 -55.00 7 3.96 7.24 * + + +++ + Angle PSI MET 383 -52.00 -32.00 8 4.40 10.33 + +++ + ++ * Angle PHI LEU 384 -73.00 -53.00 6 3.67 6.41 + + + + + * Angle PSI LEU 384 -52.00 -32.00 10 6.14 15.32 +++ + + + + +*+ Angle PSI GLU 385 -54.00 -34.00 20 20.54 29.20 +++++++++++*++++++++ Angle PHI LEU 386 -74.00 -54.00 6 3.37 10.84 + + + ++* Angle PHI LEU 387 -77.00 -57.00 20 18.66 27.61 +++++++++*++++++++++ Angle PSI VAL 388 -55.00 -35.00 8 4.24 8.57 + ++ *+++ + Angle PSI GLU 390 -52.00 -32.00 15 7.38 13.50 ++++++++++ ++ *+ + Angle PHI GLN 391 -74.00 -54.00 14 6.83 13.97 ++++* ++++ ++++ + Angle PHI PHE 392 -74.00 -54.00 20 18.11 24.61 +++*++++++++++++++++ Angle PHI LEU 393 -72.00 -52.00 19 9.87 15.90 +++++++++++++*+++++ Angle PHI GLY 394 -80.00 -56.00 11 5.16 13.97 ++ + ++ + +++ +* Angle PSI PRO 397 132.20 154.90 20 26.93 28.41 +*++++++++++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 13.10 19.98 ++++++++++++*+++++++ Angle PHI GLU 399 -76.00 -56.00 17 8.87 13.47 +++* +++++++++ ++++ Angle PHI ILE 400 -73.00 -53.00 6 4.55 6.43 ++ + + * + Angle PHI ALA 402 -72.00 -52.00 20 10.34 15.33 ++++++++++++++++*+++ Angle PHI ARG 403 -73.00 -53.00 20 9.36 13.46 +++*++++++++++++++++ Angle PSI VAL 404 -54.00 -34.00 14 7.36 14.47 ++ ++ *++ +++++ ++ Angle PHI GLY 406 -79.00 -59.00 20 9.33 12.73 +*++++++++++++++++++ Angle PSI GLY 406 -40.00 -6.00 20 13.77 21.26 +++++++*++++++++++++ Angle PHI GLY 410 58.00 92.00 20 12.84 23.33 +++++++++++++++++++* Angle PHI GLU 413 -75.00 -55.00 20 7.43 10.63 ++++++++++++*+++++++ Angle PSI GLU 413 -51.00 -31.00 9 5.21 19.28 *+ ++ +++ ++ Angle PHI LEU 418 -79.00 -59.00 10 4.68 10.93 + *++++ + ++ + Angle PHI VAL 419 -74.00 -54.00 17 9.50 15.05 +++ ++++*+++++ ++++ Angle PSI VAL 419 -53.00 -33.00 7 3.84 13.05 + + + + + +* Angle PHI ASP 420 -69.00 -49.00 18 13.65 22.81 + ++*+++++++++++++ + 356 violated distance constraints. 110 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.33 +/- 0.09 A (0.19..0.61 A; 20 structures) Average heavy atom RMSD to mean : 0.80 +/- 0.07 A (0.65..0.91 A; 20 structures)