Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 345.58 353 0.1219 4.69 356 196.7 1.05 75 7.4465 34.77 2 346.68 353 0.1216 4.89 330 197.9 0.98 79 7.7588 36.29 3 347.59 357 0.1216 4.89 350 197.9 1.03 90 7.6076 35.28 4 348.58 359 0.1207 4.76 360 202.6 0.95 86 8.3297 35.83 5 349.64 361 0.1215 4.86 346 201.3 1.00 96 7.8685 35.35 6 350.47 348 0.1211 4.76 356 203.8 1.02 86 7.8036 33.36 7 350.71 375 0.1228 4.63 365 196.3 1.09 86 7.4717 32.62 8 352.09 338 0.1222 4.98 354 202.5 0.96 86 8.2702 39.32 9 352.19 366 0.1221 4.89 336 195.9 1.14 80 7.9982 41.81 10 353.14 369 0.1214 4.84 350 201.4 0.96 87 8.0278 35.14 11 354.54 379 0.1229 4.92 339 198.1 1.16 92 8.0180 44.41 12 354.69 361 0.1229 4.90 366 198.5 1.01 87 7.7272 35.90 13 355.38 356 0.1211 4.71 360 205.4 0.98 86 8.1865 39.64 14 355.84 357 0.1213 4.78 373 208.5 0.96 89 8.4984 41.28 15 356.00 344 0.1219 4.87 353 201.1 1.09 82 8.2244 39.47 16 356.01 381 0.1236 4.94 333 199.5 1.03 83 7.8698 36.48 17 356.02 385 0.1222 4.68 377 205.6 1.12 83 7.9703 33.21 18 356.34 393 0.1236 4.74 346 196.8 0.99 91 8.2704 34.75 19 357.11 380 0.1219 5.20 350 200.8 1.32 82 8.2201 41.58 20 357.12 355 0.1218 4.92 344 201.6 1.07 83 8.2797 36.17 Ave 352.79 364 0.1220 4.84 352 200.6 1.05 85 7.9924 37.13 +/- 3.59 14 0.0008 0.13 12 3.4 0.09 5 0.2882 3.20 Min 345.58 338 0.1207 4.63 330 195.9 0.95 75 7.4465 32.62 Max 357.12 393 0.1236 5.20 377 208.5 1.32 96 8.4984 44.41 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ALA 43 - HA TRP 72 5.05 6 0.07 0.64 ++ + + + * peak 693 Upper QB ALA 43 - HA TRP 72 3.24 10 0.11 0.61 ++ + + + +*++ + peak 1632 Upper QB ALA 43 - HD1 TRP 72 4.73 16 0.15 0.28 ++++ + + ++++++*+++ peak 1651 Upper H ARG 44 - HD2 ARG 44 5.50 9 0.15 0.43 ++ + ++* + + + peak 705 Upper H ARG 44 - HD1 TRP 72 5.17 17 0.22 0.49 ++++++++ + ++++* +++ peak 54 Upper HA ARG 44 - HZ PHE 47 5.50 15 0.20 0.35 ++++ ++ + ++++++*+ peak 1842 Upper H LEU 45 - HG LEU 45 3.23 11 0.28 0.75 + * +++ +++++ + peak 686 Upper QD2 LEU 45 - H ARG 48 5.46 6 0.07 0.32 + ++ *+ + peak 1954 Upper H ARG 46 - QD2 LEU 68 5.30 15 0.20 0.40 ++++++ *++ +++ +++ peak 2532 Upper QB ARG 46 - QD2 LEU 68 3.30 18 0.29 0.54 ++++++++++++ +++ *++ peak 2505 Upper H PHE 47 - QD2 LEU 68 4.73 7 0.05 0.17 + + + ++ *+ peak 2533 Upper QD PHE 47 - HG LEU 65 3.76 19 0.46 1.52 +*+++++++++++++++++ peak 305 Upper QE PHE 47 - QG1 VAL 88 4.78 20 0.35 0.52 +++++++++++++++++++* peak 2762 Upper HZ PHE 47 - HA CYS 69 5.50 12 0.14 0.37 +++ ++ * + ++ ++ + peak 285 Upper H PHE 50 - QD1 LEU 68 5.26 11 0.21 0.58 +++ ++ + + +* ++ peak 2509 Upper HA PHE 50 - HD2 HIS 51 4.81 14 0.16 0.36 + +++ *++ +++++ ++ peak 69 Upper HB2 PHE 50 - QD1 LEU 68 5.50 20 0.40 0.66 +++*++++++++++++++++ peak 2013 Upper HB3 PHE 50 - QB ALA 95 5.50 20 0.57 0.70 *+++++++++++++++++++ peak 2008 Upper QD PHE 50 - QD2 LEU 65 3.53 8 0.10 0.21 ++ + ++ ++ * peak 281 Upper QD PHE 50 - QD1 LEU 68 3.89 17 0.37 0.76 ++++++++++++++ +*+ peak 2510 Upper QD PHE 50 - QB ALA 95 3.20 19 0.33 0.58 *+++++++++++++++++ + peak 278 Upper QD PHE 50 - QB ALA 395 3.01 20 4.80 5.20 ++++++++++++++++++*+ peak 8165 Upper QE PHE 50 - H HIS 51 4.66 10 0.10 0.35 ++ + + + +++*+ peak 76 Upper QE PHE 50 - HA TYR 52 3.89 6 0.06 0.15 * + + + + + peak 72 Upper QE PHE 50 - QD2 LEU 65 4.37 19 0.25 0.44 ++++++ +++++*+++++++ peak 272 Upper QE PHE 50 - QB ALA 95 3.86 8 0.10 0.38 *+ + ++ + ++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 2.93 3.23 ++++++++++++++++++*+ peak 8164 Upper HE1 HIS 51 - HA GLU 53 4.63 19 0.21 0.41 ++*+++++++++++++++ + peak 64 Upper H TYR 52 - QB ALA 95 4.38 20 0.93 1.13 ++++++++*+++++++++++ peak 1727 Upper H TYR 52 - HG LEU 96 5.22 20 1.26 2.59 +++++++++++++++++++* peak 793 Upper HA TYR 52 - QB ALA 95 5.06 20 1.05 1.23 +*++++++++++++++++++ peak 1717 Upper QB TYR 52 - H ALA 95 5.13 6 0.05 0.14 + ++* + + peak 1114 Upper QB TYR 52 - QB ALA 95 3.70 7 0.06 0.18 ++ +* + ++ peak 1713 Upper QB TYR 52 - HD3 PRO 97 5.50 20 0.45 0.58 +*++++++++++++++++++ peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 20 0.80 0.98 +++++++*++++++++++++ peak 8347 Upper QD TYR 52 - QG GLU 54 5.48 6 0.06 0.17 + + +*++ peak 2191 Upper QD TYR 52 - QD1 LEU 96 4.32 16 0.45 0.60 +++++++++++++* ++ peak 251 Upper QD TYR 52 - HG3 PRO 97 5.50 16 0.23 0.34 ++++++++++++*+ ++ peak 3432 Upper QD TYR 52 - QB ALA 395 3.67 20 2.65 2.83 ++++++++++++++++++*+ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 1.61 1.79 *+++++++++++++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 1.19 1.35 ++++*+++++++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.54 1.66 +++++*++++++++++++++ peak 8115 Upper QE TYR 52 - QG2 THR 56 4.64 18 0.28 0.44 ++++++ +++++++*+ +++ peak 236 QG2 THR 56 - QE TYR 352 Upper QE TYR 52 - QG2 THR 56 4.77 13 0.16 0.27 + *+ +++++++++ + peak 1769 QE TYR 52 - QG2 THR 356 Upper QE TYR 52 - HB2 PRO 58 3.81 20 1.18 1.36 ++++++++*+++++++++++ peak 230 Upper QE TYR 52 - HB3 PRO 58 3.38 19 0.34 0.56 ++++++++*+++++++++ + peak 232 Upper QE TYR 52 - QG1 VAL 119 5.50 20 0.49 0.82 ++++++*+++++++++++++ peak 8240 Upper QE TYR 52 - QG2 VAL 119 4.54 17 0.40 0.76 + +++++ ++*++++ ++++ peak 8189 Upper QE TYR 52 - QD ARG 123 5.50 20 0.93 1.26 ++++++++++++++++++*+ peak 4040 Upper QE TYR 52 - HA ALA 355 4.66 17 0.22 0.53 + +++++++++ +++ +++* peak 47 QE TYR 52 - HA THR 356 Upper QE TYR 52 - QB ALA 395 4.32 20 2.13 2.25 ++++++++++++++++++*+ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 1.13 1.29 ++++++++++++++*+++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.51 1.64 +++++*++++++++++++++ peak 8114 Upper HB3 GLU 53 - QG2 THR 56 4.68 16 0.30 0.55 ++ +++++++++++* ++ peak 2081 Upper QG GLU 53 - HA GLU 54 5.50 7 0.17 0.52 + + + + ++ * peak 2085 Upper QG GLU 53 - QB ALA 55 4.07 6 0.11 0.53 + * + ++ + peak 2077 Upper HA ALA 55 - QE TYR 352 4.66 18 0.23 0.52 ++++*+++++++++++ ++ peak 47 HA THR 56 - QE TYR 352 Upper QB ALA 55 - HB THR 56 4.14 7 0.06 0.15 * + + +++ + peak 8150 Upper HB THR 56 - HG3 GLU 60 5.43 20 0.53 1.06 ++++++++++++++*+++++ peak 2105 Upper QG2 THR 56 - HB3 GLU 60 3.51 9 0.10 0.31 + + + + *++++ peak 1767 Upper QG2 THR 56 - HG2 GLU 60 4.12 7 0.08 0.32 + +*+ + + + peak 2231 Upper QG2 THR 56 - H ALA 61 4.82 12 0.11 0.21 +++ ++++ ++*++ peak 894 Upper H GLY 57 - H GLU 60 5.50 20 0.29 0.41 +++++++++*++++++++++ peak 398 Upper H GLY 57 - HG2 PRO 358 5.36 14 0.20 0.40 ++*+ ++ ++ + +++++ peak 825 Upper HA PRO 58 - QE PHE 92 5.50 20 1.27 1.42 ++++++++*+++++++++++ peak 110 Upper HB2 PRO 58 - QE PHE 92 4.20 20 0.35 0.49 +++++++++++++++++++* peak 156 Upper HB2 PRO 58 - HZ PHE 92 3.63 20 1.45 1.61 ++++++++*+++++++++++ peak 168 Upper HB2 PRO 58 - HB3 LEU 96 5.50 20 0.51 0.67 ++++++++*+++++++++++ peak 3333 Upper HB2 PRO 58 - QB ALA 116 4.45 20 1.67 1.78 ++*+++++++++++++++++ peak 8262 Upper HB2 PRO 58 - QG2 VAL 119 4.36 19 0.42 0.75 ++++++++*++++++ ++++ peak 2131 Upper HB3 PRO 58 - QE PHE 92 5.07 20 0.58 0.83 +++++++++++++++++++* peak 2175 Upper HB3 PRO 58 - QG1 VAL 119 4.38 20 0.82 1.12 *+++++++++++++++++++ peak 2139 Upper HB3 PRO 58 - QG2 VAL 119 4.56 20 0.59 0.85 +++++*++++++++++++++ peak 2140 Upper HG2 PRO 58 - HZ PHE 92 4.44 17 0.35 0.54 ++++++++ +++++* +++ peak 169 HZ PHE 92 - HB VAL 119 Upper HG2 PRO 58 - H GLY 357 5.36 14 0.22 0.42 * + ++++ ++++++ ++ peak 825 Upper HG3 PRO 58 - HZ PHE 92 5.03 11 0.11 0.23 ++++ ++++ *++ peak 2165 HG3 PRO 58 - H LEU 96 Upper HD2 PRO 58 - QG2 VAL 119 5.09 20 0.93 1.20 +++++*++++++++++++++ peak 1760 Upper H GLN 59 - H LEU 62 5.50 20 0.59 0.76 ++++++++++++*+++++++ peak 161 Upper H GLN 59 - QB ALA 416 4.99 20 0.26 0.48 ++++++++++++++*+++++ peak 840 Upper HA GLN 59 - HB2 LEU 62 4.05 20 0.60 0.92 ++++++++++++*+++++++ peak 1874 Upper HA GLN 59 - HG LEU 62 4.48 14 0.48 0.87 ++* +++ + +++++++ peak 2291 HG LEU 62 - HA PHE 92 HG LEU 62 - HA PRO 112 Upper HA GLN 59 - H ALA 63 5.50 20 0.53 0.65 +++*++++++++++++++++ peak 2216 Upper QB GLN 59 - QB ALA 416 3.12 13 0.20 0.55 + ++ *++ + +++++ + peak 8137 Upper HG2 GLN 59 - QB ALA 416 4.09 17 0.27 0.48 ++++++ +++*+++ + +++ peak 2206 Upper HG3 GLN 59 - H LEU 362 4.45 10 0.13 0.41 ++ + ++++ + +* peak 880 Upper HE21 GLN 59 - QB ALA 116 3.70 6 0.06 0.26 *+ ++ + + peak 850 Upper HE21 GLN 59 - QB ALA 363 5.50 18 0.44 0.63 ++++++ +++++++++ +*+ peak 849 Upper HE22 GLN 59 - HA LEU 362 4.67 12 0.12 0.32 ++ ++ + +++++ +* peak 866 Upper H GLU 60 - QB ALA 63 5.50 6 0.08 0.38 ++ + +* + peak 863 Upper HA ALA 61 - HG3 GLN 64 4.08 7 0.06 0.24 +*+ + + + + peak 2349 Upper HA ALA 61 - HE21 GLN 64 4.93 12 0.16 0.52 + ++ * +++++ +++ peak 185 Upper QB ALA 61 - QD PHE 392 3.23 20 3.01 3.20 *+++++++++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 1.43 1.61 *+++++++++++++++++++ peak 8146 Upper H LEU 62 - HG2 GLN 64 5.50 14 0.21 0.61 +++++*+ +++ +++ + peak 879 Upper H LEU 62 - HG3 GLN 359 4.45 7 0.09 0.28 + + + + * + + peak 880 Upper HA LEU 62 - HE22 GLN 359 4.67 12 0.12 0.24 +++++ + + ++ + *+ peak 866 Upper HG LEU 62 - QD1 LEU 65 4.76 9 0.10 0.37 *++ + + ++ ++ peak 2280 Upper QD1 LEU 62 - HB2 PHE 92 5.09 6 0.07 0.31 ++ + + +* peak 2277 Upper QD1 LEU 62 - HA PRO 112 4.48 10 0.17 0.59 ++ +* +++ +++ peak 3745 Upper QD1 LEU 62 - HG2 PRO 112 5.50 9 0.10 0.28 ++ + + +*+++ peak 3750 Upper QD1 LEU 62 - HG3 PRO 112 5.14 20 0.43 0.67 ++++++++++++++++*+++ peak 3748 Upper QD1 LEU 62 - H GLU 113 5.45 20 0.70 0.89 ++++++++++++++++*+++ peak 2307 Upper QD1 LEU 62 - H ALA 116 5.28 20 0.94 1.24 +++++*++++++++++++++ peak 978 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.19 1.69 ++++++*+++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 0.79 1.31 ++++++*+++++++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 6 0.06 0.27 *+ + ++ + peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 15 0.68 1.23 + +++ *++ + +++++++ peak 8267 Upper QD2 LEU 62 - H LEU 65 5.50 7 0.08 0.32 +++ + + +* peak 938 Upper QD2 LEU 62 - HG LEU 65 4.50 18 0.84 1.26 ++ ++++++*++++ +++++ peak 2375 Upper QD2 LEU 62 - H LEU 89 5.50 17 0.18 0.34 +++++++*+ + +++++++ peak 1133 Upper QD2 LEU 62 - H PHE 92 5.50 15 0.16 0.41 +++++++ +++++ *++ peak 1172 Upper QD2 LEU 62 - HB2 PHE 92 5.50 17 0.18 0.37 + +++++++++++++ *++ peak 3238 Upper QD2 LEU 62 - QD PHE 92 3.74 17 0.17 0.38 ++++++*++++++++ ++ peak 147 Upper QD2 LEU 62 - HA PRO 112 4.00 20 0.62 0.80 ++++++*+++++++++++++ peak 2289 Upper QD2 LEU 62 - QB ALA 115 5.50 20 0.50 0.65 ++++*+++++++++++++++ peak 1678 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.23 1.40 +++++*++++++++++++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 0.94 1.14 +++++++++++++++++*++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 0.60 0.79 +++++++++*++++++++++ peak 8216 Upper QB ALA 63 - HG2 GLU 67 5.21 17 0.21 0.40 ++++ ++ ++++ ++++*++ peak 2456 Upper QB ALA 63 - HE21 GLN 359 5.50 19 0.38 0.56 ++++++++++++++*++++ peak 849 Upper HG3 GLN 64 - H LEU 65 4.80 8 0.11 0.37 + + + * + + + + peak 2352 Upper H LEU 65 - HG2 GLU 67 5.50 9 0.12 0.49 *+ + ++ ++++ peak 2478 Upper QD1 LEU 65 - HA GLN 91 4.57 8 0.11 0.40 + + + +*+++ peak 3219 Upper QD1 LEU 65 - HG2 GLN 91 4.39 10 0.12 0.35 ++ +++++ * + + peak 8284 Upper QD1 LEU 65 - QB ALA 95 4.35 20 0.48 0.74 ++++++++++++++*+++++ peak 1712 Upper QD2 LEU 65 - QB ALA 95 4.81 19 0.37 0.58 *+ +++++++++++++++++ peak 8169 Upper H ARG 66 - QG1 VAL 88 4.37 20 0.38 0.65 +++++++++*++++++++++ peak 945 Upper HA ARG 66 - HD3 ARG 66 5.03 13 0.26 0.48 + ++ *++++ +++++ peak 1292 Upper HA ARG 66 - QG2 VAL 88 3.01 17 0.23 0.38 ++ +++++++++ +++ *++ peak 8234 Upper QB ARG 66 - QG1 VAL 88 4.34 17 0.20 0.36 ++ +++*+++++ +++ +++ peak 2426 Upper QG ARG 66 - QG2 VAL 88 3.74 16 0.18 0.39 + ++++++++ ++++++ * peak 8230 Upper HD2 ARG 66 - QG2 VAL 88 4.78 17 0.26 0.58 +++*+++++++ +++++ + peak 3150 Upper H GLU 67 - HG3 GLU 67 4.10 11 0.09 0.21 ++ + + ++++++* peak 2468 Upper H GLU 67 - HG LEU 68 5.50 11 0.56 1.14 +++ ++ * + ++ ++ peak 2527 Upper HA GLU 67 - H GLN 71 5.16 13 0.11 0.24 ++++ + ++ + ++++* peak 2481 Upper HB2 CYS 69 - QG2 VAL 88 4.17 17 0.17 0.46 +++++ +++++ ++++*++ peak 2561 Upper H ARG 70 - QB LEU 84 5.50 10 0.10 0.21 + +*+++ + ++ + peak 8249 Upper HG3 ARG 70 - H ARG 74 5.50 17 0.15 0.23 ++++++++++++ +++ +* peak 2604 Upper HD3 ARG 70 - QD1 LEU 84 5.50 15 0.13 0.31 +++ +++++++ +++ *+ peak 2567 Upper HZ2 TRP 72 - QD1 LEU 86 5.11 9 0.13 0.47 ++ + *++ ++ + peak 194 Upper HZ2 TRP 72 - QD2 LEU 86 4.18 10 0.13 0.53 ++++ ++ *++ + peak 193 Upper HZ2 TRP 72 - QD2 LEU 87 4.66 17 0.21 0.55 ++++++++++++ ++* ++ peak 8227 Upper HH2 TRP 72 - QD1 LEU 87 4.16 20 0.26 0.69 +++++++++++++++*++++ peak 205 Upper HH2 TRP 72 - QD2 LEU 87 3.62 10 0.09 0.18 + +++ * ++ ++ + peak 204 Upper H LEU 73 - HD3 PRO 75 5.50 20 0.37 0.48 +++++++++++++++*++++ peak 2703 Upper QD2 LEU 73 - HA LEU 86 5.50 20 0.31 0.66 +++++++++++++++++*++ peak 1785 Upper HD2 PRO 75 - QD1 LEU 84 5.19 7 0.08 0.16 ++ ++*++ peak 2683 Upper HD3 PRO 75 - QD1 LEU 84 3.65 14 0.11 0.20 + +++++++ ++++*+ peak 8315 Upper HD3 ARG 78 - QD1 LEU 86 4.96 8 0.07 0.22 ++ ++ ++*+ peak 2801 Upper HG3 LYS 80 - QE MET 83 3.56 16 0.27 1.25 ++ ++*++++ +++++ ++ peak 8123 Upper H GLU 81 - QE MET 83 5.50 19 0.22 0.32 ++++++ ++*++++++++++ peak 1649 Upper QB LEU 84 - QG1 VAL 88 4.67 14 0.16 0.39 + +++ ++ ++ +++ *++ peak 2998 Upper HA LEU 86 - HB3 LEU 89 5.50 7 0.12 0.47 *+ + ++ ++ peak 1886 Upper QD2 LEU 87 - H GLU 90 5.50 18 0.29 0.89 ++ ++++++++ +++++*++ peak 3092 Upper HB VAL 88 - H PHE 92 5.50 13 0.16 0.32 ++*++++++ ++ + + peak 1165 Upper QG1 VAL 88 - HG3 PRO 112 4.11 18 0.20 0.58 + ++++++++++++++*++ peak 3777 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 0.97 1.71 +++++++++*++++++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.27 1.48 ++++++++++++*+++++++ peak 8207 Upper QG2 VAL 88 - HG2 PRO 112 4.99 18 0.29 0.65 ++++++++++++++++ *+ peak 3788 Upper H LEU 89 - HG2 PRO 112 4.67 19 0.27 0.76 +++ +++++++++++++*++ peak 3811 Upper QD2 LEU 89 - HB2 PHE 92 4.25 7 0.11 0.62 + + + +*++ peak 3185 Upper QD2 LEU 89 - HA PRO 112 3.80 6 0.06 0.29 ++ + + *+ peak 3744 Upper HA GLN 91 - H ALA 95 5.50 20 0.66 0.84 ++++++++++++++++*+++ peak 1860 Upper HE22 GLN 91 - H ALA 95 5.05 14 0.21 0.62 ++*++++++++ + ++ peak 446 Upper H PHE 92 - H ALA 95 5.50 16 0.25 0.34 ++++++++++++++ *+ peak 426 Upper H PHE 92 - QB ALA 95 5.50 15 0.18 0.40 ++ +++ ++ ++++++*+ peak 1728 Upper HA PHE 92 - H ALA 95 3.86 11 0.09 0.16 + +++ ++*++ ++ peak 449 Upper QD PHE 92 - QD1 LEU 96 4.14 16 0.25 0.39 ++++++++++++++ +* peak 148 Upper QD PHE 92 - QB ALA 361 3.23 20 3.05 3.37 ++++++++++++++++*+++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 0.97 1.16 +++++++++++++++++*++ peak 8215 Upper QE PHE 92 - QB ALA 361 3.18 20 1.46 1.75 ++++++++++++++++*+++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 0.64 0.74 +++++*++++++++++++++ peak 8216 Upper HZ PHE 92 - QD1 LEU 96 5.24 16 0.29 0.45 *+++++++++++++ ++ peak 182 Upper HZ PHE 92 - QD2 LEU 96 4.71 15 0.13 0.23 +*++++ +++++++ ++ peak 183 Upper HZ PHE 92 - QB ALA 115 4.48 18 0.23 0.32 ++++++*+++++++ +++ + peak 178 Upper HZ PHE 92 - HB VAL 119 5.25 10 0.17 0.54 + ++ +++ + *++ peak 3966 Upper HZ PHE 92 - QG2 VAL 119 3.97 7 0.08 0.39 + + + + * ++ peak 3976 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 0.73 0.93 ++++++++*+++++++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 5.50 16 0.26 0.41 +++*++++++++++ ++ peak 3357 Upper HA LEU 93 - QD1 LEU 96 3.38 16 0.14 0.28 ++++++++++*+ ++ ++ peak 3332 Upper HB2 LEU 93 - QD1 LEU 96 5.50 8 0.10 0.24 ++ *+ ++ + + peak 3258 Upper HG LEU 93 - QD1 LEU 96 5.48 11 0.20 0.48 + *++ + +++ ++ + peak 3265 Upper QD1 LEU 93 - H VAL 104 5.50 8 0.08 0.19 + * + + + + + + peak 3299 Upper QD2 LEU 93 - QD1 LEU 96 3.43 13 0.17 0.43 ++ ++ ++ + +++*++ peak 3318 Upper QB ALA 95 - QD PHE 350 3.01 20 4.76 4.94 ++++++++++++++++++*+ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 2.90 3.12 +++++++++++++++*++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 0.78 0.93 ++++++++++++++*+++++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 2.63 2.73 +++++++++++++++++++* peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.11 2.20 ++++++++++*+++++++++ peak 8176 Upper H LEU 96 - QG2 ILE 100 5.50 6 0.06 0.15 * + + ++ + peak 1673 Upper H LEU 96 - H GLN 101 5.50 12 0.10 0.24 + +++ ++++ ++* + peak 468 Upper H LEU 96 - HA GLN 101 5.50 16 0.51 0.69 +++++++++++++* ++ peak 3521 Upper HB2 LEU 96 - HA GLN 101 3.93 16 0.13 0.23 ++++++ +++ ++*+++ + peak 3509 Upper HB2 LEU 96 - HE22 GLN 101 4.93 20 0.22 0.37 ++++++++++++++++++*+ peak 1206 Upper HB3 LEU 96 - HA GLN 101 5.47 15 0.14 0.30 ++++++ ++ +++*+ ++ peak 3335 Upper HB3 LEU 96 - QD TYR 352 5.50 20 1.61 1.74 ++++++*+++++++++++++ peak 8340 Upper HG LEU 96 - QG1 VAL 119 3.64 7 0.09 0.32 ++ * ++ ++ peak 3952 Upper QD1 LEU 96 - H GLN 105 5.50 18 0.26 0.54 + ++++++++ +++++++*+ peak 3359 Upper QD2 LEU 96 - HG3 PRO 97 5.50 20 0.26 0.39 +++++++++++++++++++* peak 3410 Upper QD2 LEU 96 - HG2 GLN 101 5.50 17 0.16 0.27 + +++++ +++++++++ *+ peak 3505 Upper QD2 LEU 96 - HE21 GLN 101 5.50 16 0.13 0.20 ++++++++++++++ *+ peak 1202 Upper QD2 LEU 96 - QD TYR 352 3.68 20 1.21 1.35 ++++++*+++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 1.13 1.27 +++++++*++++++++++++ peak 8182 Upper HB2 PRO 97 - HG13 ILE 100 5.50 20 0.33 0.38 ++++++++++++++*+++++ peak 3395 Upper HD2 PRO 97 - HE21 GLN 101 5.39 18 0.21 0.29 ++*+++++++++++ ++++ peak 3428 Upper HD3 PRO 97 - H ILE 100 3.41 16 0.13 0.19 +*+++++++++++ + ++ peak 240 Upper HA ILE 100 - HB2 ARG 103 4.48 17 0.25 0.44 ++ ++++++++++ ++* ++ peak 3455 Upper HA ILE 100 - HG3 ARG 103 4.72 10 0.11 0.19 ++ + + + ++++ * peak 3549 Upper QD1 ILE 100 - HA ARG 123 5.44 20 0.32 0.55 +*++++++++++++++++++ peak 3484 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.56 1.67 +++++*++++++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.54 1.66 +++++*++++++++++++++ peak 8114 Upper HA GLN 101 - HE22 GLN 101 5.50 20 0.22 0.24 ++++++++++++++++++*+ peak 477 Upper H ARG 103 - HB VAL 104 5.50 6 0.14 0.51 + + * + ++ peak 3442 Upper QD ARG 103 - H VAL 104 4.96 6 0.05 0.23 *+ + + + + peak 729 Upper QB GLN 107 - H LEU 118 5.50 13 0.15 0.31 + +++ ++++ * + ++ + peak 3622 Upper HB3 PRO 109 - HB2 SER 111 5.50 6 0.08 0.35 + ++ +*+ peak 3740 Upper H GLY 110 - HG3 GLU 114 4.87 9 0.10 0.20 +++ +++ * ++ peak 1253 Upper H SER 111 - HG3 GLU 114 4.49 6 0.06 0.19 ++ + + *+ peak 3863 Upper HB3 PRO 112 - QD1 LEU 362 4.30 15 0.48 1.02 ++++ +++*++ ++ +++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 11 0.09 0.23 ++ + ++* + +++ + peak 8266 Upper H GLU 114 - HG2 GLU 114 3.73 8 0.26 0.70 + + +* +++ + peak 3869 Upper H GLU 114 - QD2 LEU 118 5.50 20 0.25 0.34 ++++++*+++++++++++++ peak 1278 Upper H ALA 115 - QD1 LEU 118 4.33 7 0.09 0.31 + + +++*+ peak 3922 Upper HA ALA 116 - QG2 VAL 119 4.00 6 0.09 0.50 + + + + * + peak 1759 Upper QB ALA 116 - H GLN 359 4.99 20 0.28 0.39 ++++++++++++++++*+++ peak 840 Upper QB ALA 116 - HA GLN 359 3.95 7 0.08 0.25 + + + + * + + peak 2197 Upper QB ALA 116 - QB GLN 359 3.12 16 0.25 0.64 + +++ + ++++ +*+++++ peak 8137 Upper QB ALA 116 - HG2 GLN 359 4.09 14 0.20 0.43 ++++*++ +++++ + + peak 2206 Upper H ALA 117 - QG1 VAL 119 4.55 12 0.14 0.43 + ++ ++++ ++++ * peak 1298 Upper QB ALA 117 - H LEU 118 2.96 10 0.09 0.18 ++ ++ +* + +++ peak 1694 Upper QB ALA 117 - HB2 ASP 120 5.50 10 0.11 0.43 ++++ ++ ++ + * peak 1490 Upper H LEU 118 - QG2 VAL 119 4.48 12 0.40 1.21 ++ + +++ ++ *+ ++ peak 8191 Upper HB3 LEU 118 - H VAL 119 3.50 7 0.08 0.34 +* +++ + + peak 1311 Upper QG2 VAL 119 - H LEU 122 5.02 6 0.07 0.19 * ++ +++ peak 3978 Upper QG2 VAL 119 - QD ARG 123 3.85 6 0.06 0.30 + *+++ + peak 4025 Upper H ASP 120 - QD ARG 123 5.34 13 0.16 0.45 +++ ++++ ++ ++ +* peak 4042 Upper HB3 ASP 120 - H LEU 122 5.15 7 0.08 0.44 + +++ *+ + peak 1323 Upper H GLY 121 - QD2 LEU 122 4.18 20 0.45 0.64 ++++++++*+++++++++++ peak 1322 Upper QA GLY 121 - HB3 LEU 122 5.50 20 0.12 0.15 +*++++++++++++++++++ peak 3608 Upper QD2 LEU 122 - QB ARG 123 3.34 14 0.14 0.39 +++++ ++++ + + ++* peak 4039 Upper QB ALA 343 - HA TRP 372 3.24 12 0.12 0.20 + ++++ +*+ + + + + peak 1632 Upper QB ALA 343 - HD1 TRP 372 4.73 15 0.14 0.25 ++++ + +++++ + *+++ peak 1651 Upper H ARG 344 - HD2 ARG 344 5.50 12 0.19 0.42 + ++ + * +++ + + ++ peak 705 Upper H ARG 344 - HD1 TRP 372 5.17 16 0.18 0.31 +*++++++ + +++ + +++ peak 54 Upper HA ARG 344 - HZ PHE 347 5.50 11 0.12 0.26 +++ ++ * + ++++ peak 1842 Upper H LEU 345 - HG LEU 345 3.23 9 0.28 0.87 ++ *+ + + + ++ peak 686 Upper H LEU 345 - QD2 LEU 345 4.08 8 0.07 0.20 + * +++ + ++ peak 3197 Upper HB3 LEU 345 - H ARG 346 3.70 7 0.08 0.27 + + + + + +* peak 667 Upper H ARG 346 - QD2 LEU 368 5.30 7 0.10 0.30 + + + + + + * peak 2532 Upper QB ARG 346 - QD2 LEU 368 3.30 17 0.21 0.48 ++++ ++++++++ +++* + peak 2505 Upper HB2 PHE 347 - HB3 TRP 372 5.39 6 0.06 0.21 + + + * ++ peak 1976 Upper QD PHE 347 - HG LEU 365 3.76 18 0.31 1.40 +*+++++++++ +++++++ peak 305 Upper QE PHE 347 - QG1 VAL 388 4.78 20 0.38 0.56 ++++++++++++++++++*+ peak 2762 Upper HZ PHE 347 - HA CYS 369 5.50 7 0.08 0.34 + + + * + ++ peak 285 Upper HA PHE 350 - HD2 HIS 351 4.81 17 0.19 0.35 + ++++ ++++ +*++++++ peak 69 Upper HB2 PHE 350 - QD1 LEU 368 5.50 17 0.30 0.63 ++ ++++++++++ +++* + peak 2013 Upper HB3 PHE 350 - QB ALA 395 5.50 19 0.52 0.72 ++++++++++++++++*+ + peak 2008 Upper QD PHE 350 - HB3 GLN 364 4.39 7 0.09 0.31 + +* + + + + peak 276 Upper QD PHE 350 - QD2 LEU 365 3.53 13 0.12 0.20 +++ ++++ ++ * ++ + peak 281 Upper QD PHE 350 - QD1 LEU 368 3.89 15 0.24 0.60 ++++ +++++++++ *+ peak 2510 Upper QD PHE 350 - QB ALA 395 3.20 19 0.30 0.56 ++++++*+++++++++++ + peak 278 Upper QE PHE 350 - H HIS 351 4.66 9 0.10 0.29 +* ++ ++ ++ + peak 76 Upper QE PHE 350 - QG GLU 353 5.50 7 0.08 0.40 + ++ +* + + peak 2090 Upper QE PHE 350 - QD2 LEU 365 4.37 19 0.25 0.37 ++++++ +++++++++++*+ peak 272 Upper QE PHE 350 - QB ALA 395 3.86 6 0.07 0.41 +* + + ++ peak 1723 Upper HE1 HIS 351 - HA GLU 353 4.63 19 0.19 0.35 + +++++++++*++++++++ peak 64 Upper H TYR 352 - QB ALA 395 4.38 20 0.88 1.17 ++++++++++++++++*+++ peak 1727 Upper H TYR 352 - HG LEU 396 5.22 20 1.26 2.44 ++++++++++*+++++++++ peak 793 Upper HA TYR 352 - QB ALA 395 5.06 20 1.02 1.23 ++++++++++++++++*+++ peak 1717 Upper QB TYR 352 - HD3 PRO 397 5.50 20 0.43 0.56 +++++++++++++*++++++ peak 3382 Upper QD TYR 352 - QG GLU 354 5.48 7 0.08 0.24 ++ +*+ + + peak 2191 Upper QD TYR 352 - QD1 LEU 396 4.32 16 0.44 0.64 + ++++* + +++++++++ peak 251 Upper QD TYR 352 - HG3 PRO 397 5.50 15 0.21 0.34 + +++++ + ++*++++ + peak 3432 Upper QE TYR 352 - QG2 THR 356 4.64 14 0.24 0.50 +++++ + + +++ + +*+ peak 236 QE TYR 52 - QG2 THR 356 Upper QE TYR 352 - QG2 THR 356 4.77 9 0.13 0.28 +++ + + *+ + + peak 1769 QG2 THR 56 - QE TYR 352 Upper QE TYR 352 - HB2 PRO 358 3.81 20 1.16 1.32 ++++++*+++++++++++++ peak 230 Upper QE TYR 352 - HB3 PRO 358 3.38 18 0.31 0.47 ++++++*+ +++++++++ + peak 232 Upper QE TYR 352 - QG1 VAL 419 5.50 20 0.41 0.77 +++*++++++++++++++++ peak 8240 Upper QE TYR 352 - QG2 VAL 419 4.54 17 0.40 0.80 + +++*+++ ++ +++++++ peak 8189 Upper QE TYR 352 - QD ARG 423 5.50 20 0.91 1.15 ++*+++++++++++++++++ peak 4040 Upper HB3 GLU 353 - QG2 THR 356 4.68 15 0.28 0.51 +++++*+++ ++++ ++ peak 2081 Upper HB THR 356 - HG3 GLU 360 5.43 20 0.60 1.03 ++++++++++++++++++*+ peak 2105 Upper QG2 THR 356 - HB3 GLU 360 3.51 9 0.10 0.30 +++ + +*+ ++ peak 1767 Upper QG2 THR 356 - HG2 GLU 360 4.12 6 0.08 0.33 + ++ + + * peak 2231 Upper QG2 THR 356 - H ALA 361 4.82 11 0.09 0.19 +*++ + +++ + ++ peak 894 Upper QG2 THR 356 - HE21 GLN 364 5.07 7 0.07 0.31 + + + + * ++ peak 919 Upper H GLY 357 - H GLU 360 5.50 20 0.29 0.43 +++++++++++++++*++++ peak 398 Upper HA PRO 358 - QE PHE 392 5.50 20 1.25 1.38 +*++++++++++++++++++ peak 110 Upper HB2 PRO 358 - QE PHE 392 4.20 20 0.34 0.43 +*++++++++++++++++++ peak 156 Upper HB2 PRO 358 - HZ PHE 392 3.63 20 1.44 1.62 +*++++++++++++++++++ peak 168 Upper HB2 PRO 358 - HB3 LEU 396 5.50 20 0.51 0.64 +++++++++++++++++++* peak 3333 Upper HB2 PRO 358 - QB ALA 416 4.45 20 1.65 1.80 ++++++*+++++++++++++ peak 8262 Upper HB2 PRO 358 - QG2 VAL 419 4.36 20 0.41 0.65 +++++*++++++++++++++ peak 2131 Upper HB3 PRO 358 - QE PHE 392 5.07 20 0.57 0.74 +*++++++++++++++++++ peak 2175 Upper HB3 PRO 358 - QG1 VAL 419 4.38 20 0.76 1.08 +++++++++++++*++++++ peak 2139 Upper HB3 PRO 358 - QG2 VAL 419 4.56 20 0.59 0.87 +++++*++++++++++++++ peak 2140 Upper HG2 PRO 358 - HZ PHE 392 4.44 16 0.32 0.50 *+++ +++++++ +++++ peak 169 HZ PHE 392 - HB VAL 419 Upper HG3 PRO 358 - HZ PHE 392 5.03 13 0.11 0.24 + +++ + + +++*+ + + peak 2165 HG3 PRO 358 - H LEU 396 Upper HD2 PRO 358 - QG2 VAL 419 5.09 20 0.93 1.23 +++++*++++++++++++++ peak 1760 Upper H GLN 359 - H LEU 362 5.50 20 0.58 0.74 +*++++++++++++++++++ peak 161 Upper HA GLN 359 - HB2 LEU 362 4.05 20 0.60 0.88 +*++++++++++++++++++ peak 1874 Upper HA GLN 359 - HG LEU 362 4.48 10 0.38 0.98 +++ ++ + +* ++ peak 2291 HG LEU 362 - HA PHE 392 HG LEU 362 - HA PRO 412 Upper HA GLN 359 - H ALA 363 5.50 20 0.51 0.65 +++++++++++*++++++++ peak 2216 Upper HA ALA 361 - HE21 GLN 364 4.93 14 0.21 0.51 ++*+ + +++ +++ +++ peak 185 Upper H LEU 362 - HG2 GLN 364 5.50 17 0.22 0.48 ++++++++++++*+ + + + peak 879 Upper HG LEU 362 - QD1 LEU 365 4.76 6 0.08 0.36 *+ + ++ + peak 2280 Upper QD1 LEU 362 - HB2 PHE 392 5.09 10 0.12 0.34 ++ +++ + + +* + peak 2277 Upper QD1 LEU 362 - HA PRO 412 4.48 10 0.24 0.60 ++ +++ + * ++ + peak 3745 Upper QD1 LEU 362 - HG3 PRO 412 5.14 20 0.38 0.49 +++*++++++++++++++++ peak 3748 Upper QD1 LEU 362 - H GLU 413 5.45 20 0.69 0.78 ++++++++++++++++*+++ peak 2307 Upper QD1 LEU 362 - H ALA 416 5.28 20 0.95 1.25 +++++*++++++++++++++ peak 978 Upper QD2 LEU 362 - H LEU 365 5.50 7 0.11 0.50 + * + + + ++ peak 938 Upper QD2 LEU 362 - HG LEU 365 4.50 19 0.97 1.32 ++ ++++*++++++++++++ peak 2375 Upper QD2 LEU 362 - H LEU 389 5.50 12 0.12 0.29 +++ ++ ++++* + + peak 1133 Upper QD2 LEU 362 - H PHE 392 5.50 12 0.14 0.35 ++ + + ++ +* ++ ++ peak 1172 Upper QD2 LEU 362 - HB2 PHE 392 5.50 17 0.15 0.24 + ++++++ ++++++ *+++ peak 3238 Upper QD2 LEU 362 - QD PHE 392 3.74 15 0.17 0.35 * + +++ ++++ ++++++ peak 147 Upper QD2 LEU 362 - HA PRO 412 4.00 20 0.61 0.77 ++++++++*+++++++++++ peak 2289 Upper QD2 LEU 362 - QB ALA 415 5.50 20 0.52 0.85 ++++*+++++++++++++++ peak 1678 Upper QB ALA 363 - HG2 GLU 367 5.21 19 0.21 0.42 +++++ ++++*+++++++++ peak 2456 Upper HG3 GLN 364 - H LEU 365 4.80 8 0.10 0.29 + + * + + + ++ peak 2352 Upper H LEU 365 - HG2 GLU 367 5.50 7 0.09 0.32 *++ + + ++ peak 2478 Upper QD1 LEU 365 - HA GLN 391 4.57 6 0.09 0.49 ++ + *+ + peak 3219 Upper QD1 LEU 365 - HG2 GLN 391 4.39 8 0.11 0.40 * ++++ + + + peak 8284 Upper QD1 LEU 365 - QB ALA 395 4.35 20 0.48 0.70 +++++++*++++++++++++ peak 1712 Upper QD2 LEU 365 - QB ALA 395 4.81 19 0.39 0.59 ++++++*+++++++++++ + peak 8169 Upper H ARG 366 - QG1 VAL 388 4.37 20 0.39 0.62 +++++++++++++*++++++ peak 945 Upper HA ARG 366 - HD3 ARG 366 5.03 12 0.24 0.48 ++ *++++++++ + peak 1292 Upper HA ARG 366 - QG2 VAL 388 3.01 16 0.22 0.40 +++ + +*+++++ +++++ peak 8234 Upper QB ARG 366 - QG1 VAL 388 4.34 14 0.20 0.47 +* + +++++++ ++ ++ peak 2426 Upper QG ARG 366 - QG2 VAL 388 3.74 14 0.20 0.70 + +++ ++ +++ +*+++ peak 8230 Upper HD2 ARG 366 - QG2 VAL 388 4.78 16 0.22 0.38 ++++++ +++ ++*++ ++ peak 3150 Upper H GLU 367 - HG3 GLU 367 4.10 12 0.11 0.22 +++ ++++ ++ +*+ peak 2468 Upper HA GLU 367 - H GLN 371 5.16 16 0.15 0.26 + +*+ + +++++++ ++++ peak 2481 Upper HB2 CYS 369 - QG2 VAL 388 4.17 14 0.13 0.24 ++++ +*+++ ++ +++ peak 2561 Upper H ARG 370 - QB LEU 384 5.50 7 0.08 0.26 + + + + +* + peak 8249 Upper HG3 ARG 370 - H ARG 374 5.50 15 0.13 0.22 +++ + +++++ ++++* + peak 2604 Upper HD3 ARG 370 - QD1 LEU 384 5.50 12 0.10 0.27 +++ ++++++*++ peak 2567 Upper HZ2 TRP 372 - QD1 LEU 386 5.11 9 0.14 0.46 ++ +++ ++ + * peak 194 Upper HZ2 TRP 372 - QD2 LEU 386 4.18 11 0.10 0.37 + ++ ++ *++++ + peak 193 Upper HZ2 TRP 372 - QD2 LEU 387 4.66 18 0.20 0.30 ++++++++++*++ ++++ + peak 8227 Upper HH2 TRP 372 - QD1 LEU 387 4.16 20 0.21 0.28 ++++++++++++++++++*+ peak 205 Upper HH2 TRP 372 - QD2 LEU 387 3.62 10 0.10 0.17 + + *++++ ++ + peak 204 Upper H LEU 373 - HD3 PRO 375 5.50 20 0.35 0.41 ++++++++*+++++++++++ peak 2703 Upper QD1 LEU 373 - QD1 LEU 387 3.20 6 0.05 0.12 + + + +*+ peak 8270 Upper QD2 LEU 373 - HA LEU 386 5.50 20 0.28 0.35 +++++++++++++++++*++ peak 1785 Upper HD2 PRO 375 - QD1 LEU 384 5.19 6 0.06 0.15 + + ++* + peak 2683 Upper HD3 PRO 375 - QD1 LEU 384 3.65 9 0.08 0.17 + + + + ++* ++ peak 8315 Upper HD3 ARG 378 - QD1 LEU 386 4.96 6 0.05 0.12 + ++ +* + peak 2801 Upper HG3 LYS 380 - QE MET 383 3.56 16 0.20 0.43 +++++ ++ + ++++++ *+ peak 8123 Upper H GLU 381 - QE MET 383 5.50 20 0.26 0.35 ++++++++++++++++++*+ peak 1649 Upper QB LEU 384 - QG1 VAL 388 4.67 13 0.17 0.40 ++++++*++ + + + + peak 2998 Upper HA LEU 386 - HB3 LEU 389 5.50 11 0.17 0.50 +*+ ++ ++ ++++ peak 1886 Upper QD2 LEU 387 - H GLU 390 5.50 18 0.20 0.39 ++ ++ +*++++++++++++ peak 3092 Upper HB VAL 388 - H PHE 392 5.50 16 0.18 0.33 ++* +++ +++++ ++++ + peak 1165 Upper QG1 VAL 388 - HG3 PRO 412 4.11 18 0.20 0.36 ++ + +++++++++++++*+ peak 3777 Upper QG2 VAL 388 - HG2 PRO 412 4.99 20 0.33 0.52 +++++++++*++++++++++ peak 3788 Upper H LEU 389 - HG2 PRO 412 4.67 20 0.26 0.41 ++++++++++++++++++*+ peak 3811 Upper HA LEU 389 - QD2 LEU 389 2.93 6 0.06 0.28 * ++ + ++ peak 856 Upper QD2 LEU 389 - HB2 PHE 392 4.25 8 0.07 0.28 * ++ + + +++ peak 3185 Upper QD2 LEU 389 - HA PRO 412 3.80 10 0.09 0.30 +* ++ +++ +++ peak 3744 Upper HA GLN 391 - H ALA 395 5.50 20 0.62 0.81 +++*++++++++++++++++ peak 1860 Upper HE22 GLN 391 - H ALA 395 5.05 13 0.26 0.70 + + +++ + +* ++++ + peak 446 Upper H PHE 392 - H ALA 395 5.50 15 0.23 0.38 + +*+++ + +++++++ + peak 426 Upper H PHE 392 - QB ALA 395 5.50 17 0.18 0.41 ++ + +++++*+++ +++++ peak 1728 Upper HA PHE 392 - H ALA 395 3.86 10 0.09 0.21 * ++ + +++ ++ + peak 449 Upper QD PHE 392 - QD1 LEU 396 4.14 16 0.25 0.40 + +*+++ + +++++++++ peak 148 Upper HZ PHE 392 - QD1 LEU 396 5.24 15 0.27 0.44 + ++*++ + +++++++ + peak 182 Upper HZ PHE 392 - QD2 LEU 396 4.71 14 0.14 0.34 +++++ +++ + +++*+ peak 183 Upper HZ PHE 392 - QB ALA 415 4.48 18 0.21 0.31 +++++*++++++++ +++ + peak 178 Upper HZ PHE 392 - HB VAL 419 5.25 10 0.16 0.39 + ++ + + +++*+ peak 3966 Upper H LEU 393 - QD1 LEU 396 5.50 16 0.26 0.41 + ++++* + +++++++++ peak 3357 Upper HA LEU 393 - QD1 LEU 396 3.38 13 0.14 0.27 ++*++ + ++ ++++ + peak 3332 Upper HB2 LEU 393 - QD1 LEU 396 5.50 8 0.09 0.26 + ++* + +++ peak 3258 Upper HG LEU 393 - QD1 LEU 396 5.48 11 0.21 0.49 + ++ + + +++ *++ peak 3265 Upper QD1 LEU 393 - H VAL 404 5.50 9 0.08 0.19 + +++ + + + * + peak 3299 Upper QD2 LEU 393 - QD1 LEU 396 3.43 11 0.13 0.34 ++ + ++ +* ++++ peak 3318 Upper H LEU 396 - H GLN 401 5.50 11 0.09 0.22 + +++ + *++ +++ peak 468 Upper H LEU 396 - HA GLN 401 5.50 16 0.49 0.71 + ++*++ + +++++++++ peak 3521 Upper HB2 LEU 396 - HA GLN 401 3.93 13 0.12 0.20 ++++ ++ +++++ +* peak 3509 Upper HB2 LEU 396 - HE22 GLN 401 4.93 20 0.21 0.37 ++++++++++++++++++*+ peak 1206 Upper HB3 LEU 396 - HA GLN 401 5.47 14 0.12 0.26 +++++ +++ ++++ +* peak 3335 Upper HG LEU 396 - QG1 VAL 419 3.64 6 0.09 0.34 + + + ++* peak 3952 Upper QD1 LEU 396 - HA VAL 404 5.50 6 0.11 0.61 + +++ * + peak 3590 Upper QD1 LEU 396 - H GLN 405 5.50 18 0.27 0.65 ++++++++*+++++ ++++ peak 3359 Upper QD2 LEU 396 - HG3 PRO 397 5.50 20 0.26 0.41 +++++++*++++++++++++ peak 3410 Upper QD2 LEU 396 - HG2 GLN 401 5.50 19 0.16 0.27 +++++++++ ++++++++*+ peak 3505 Upper QD2 LEU 396 - HE21 GLN 401 5.50 16 0.14 0.33 + +++++ + +++++++*+ peak 1202 Upper HB2 PRO 397 - HG13 ILE 400 5.50 20 0.34 0.38 +++*++++++++++++++++ peak 3395 Upper HD2 PRO 397 - HE21 GLN 401 5.39 18 0.21 0.28 + +++++++++*++++++ + peak 3428 Upper HD3 PRO 397 - H ILE 400 3.41 17 0.13 0.21 +++++++ ++ ++++++*+ peak 240 Upper HA ILE 400 - HB2 ARG 403 4.48 19 0.28 0.46 ++++++++*++ ++++++++ peak 3455 Upper HA ILE 400 - HG3 ARG 403 4.72 11 0.12 0.24 + +++ + + ++ +*+ peak 3549 Upper QD1 ILE 400 - HA ARG 423 5.44 18 0.31 0.63 +*+ ++++++++++++++ + peak 3484 Upper HA GLN 401 - HE22 GLN 401 5.50 20 0.22 0.26 ++++++++++++++++++*+ peak 477 Upper H ARG 403 - HB VAL 404 5.50 6 0.15 0.53 + + + + +* peak 3442 Upper QD ARG 403 - H VAL 404 4.96 8 0.07 0.20 +++ * + +++ peak 729 Upper QB GLN 407 - H LEU 418 5.50 13 0.16 0.34 + *++ +++ ++ + ++ + peak 3622 Upper HB3 PRO 409 - HB2 SER 411 5.50 8 0.08 0.29 ++ ++ + + + * peak 3740 Upper HB2 PRO 412 - H GLU 414 5.50 6 0.07 0.26 + + ++ +* peak 3807 Upper H GLU 414 - HG2 GLU 414 3.73 8 0.23 0.66 + + +*+ ++ + peak 3869 Upper H GLU 414 - QD2 LEU 418 5.50 19 0.26 0.34 ++++*++++++++++ ++++ peak 1278 Upper H ALA 415 - QD1 LEU 418 4.33 7 0.09 0.26 ++ + * +++ peak 3922 Upper H ALA 415 - QD2 LEU 418 4.57 6 0.06 0.15 ++* + + + peak 3917 Upper HA ALA 416 - QG2 VAL 419 4.00 9 0.09 0.40 +* + + + ++++ peak 1759 Upper H ALA 417 - QG1 VAL 419 4.55 11 0.17 0.52 +++ +* + + ++ + + peak 1298 Upper QB ALA 417 - H LEU 418 2.96 7 0.08 0.21 + * + +++ + peak 1694 Upper QB ALA 417 - HB2 ASP 420 5.50 10 0.11 0.29 +* ++ ++ + +++ peak 1490 Upper QB ALA 417 - HB3 ASP 420 4.86 6 0.06 0.23 * + + + + + peak 1487 Upper H LEU 418 - QG2 VAL 419 4.48 10 0.39 1.22 +* + ++ + ++++ peak 8191 Upper HB3 LEU 418 - H VAL 419 3.50 6 0.06 0.24 + + +*+ + peak 1311 Upper QG2 VAL 419 - H LEU 422 5.02 10 0.08 0.19 ++ +++ + ++ +* peak 3978 Upper QG2 VAL 419 - QD ARG 423 3.85 7 0.11 0.39 + + + + + * + peak 4025 Upper H ASP 420 - QD ARG 423 5.34 12 0.17 0.40 +++ *+ + +++ + ++ peak 4042 Upper H GLY 421 - QD2 LEU 422 4.18 20 0.44 0.66 ++++++*+++++++++++++ peak 1322 Upper QA GLY 421 - HB3 LEU 422 5.50 20 0.12 0.13 ++++++++++*+++++++++ peak 3608 Upper QD2 LEU 422 - QB ARG 423 3.34 12 0.14 0.31 +++ + + ++ + ++*+ peak 4039 VdW HB2 PHE 47 - HB3 LEU 68 2.00 11 0.21 0.48 +++ ++ * + ++ ++ VdW CG PHE 47 - C PHE 47 2.90 19 0.23 0.24 ++++++++++++*++++ ++ VdW CZ PHE 47 - HB2 GLN 91 2.60 18 0.29 0.40 +++*++++++++ +++ +++ VdW O PHE 47 - OE1 GLN 91 2.60 7 0.12 0.35 + ++++ *+ VdW HA ARG 48 - HG2 GLN 91 2.00 17 0.28 0.44 +++++++++*+ +++++ + VdW HA ARG 48 - OE1 GLN 91 2.30 11 0.21 0.35 + ++ + +*+++ ++ VdW HE1 PHE 50 - O PRO 58 2.30 14 0.23 0.46 + ++++++ +++ +*++ VdW HZ PHE 50 - HB3 GLU 60 2.00 18 0.29 0.52 +++++*++++++++ +++ + VdW HE2 PHE 50 - O PRO 58 2.30 6 0.10 0.47 + +++ * + VdW O PHE 50 - O GLY 94 2.60 16 0.27 0.38 +++++++++ + + ++++* VdW CG HIS 51 - C HIS 51 2.90 18 0.22 0.24 + ++++*++++++++++++ VdW CG HIS 51 - O HIS 51 2.90 20 0.61 0.64 +*++++++++++++++++++ VdW ND1 HIS 51 - O HIS 51 2.80 9 0.20 0.31 + + +++ * + + + VdW CD2 HIS 51 - O HIS 51 2.90 16 0.25 0.33 +*++++++ + +++ +++ + VdW CB TYR 52 - N PRO 58 3.05 6 0.17 0.30 + + *+ ++ VdW CB TYR 52 - CA PRO 58 3.20 8 0.18 0.28 + * + + +++ + VdW HB2 TYR 52 - C GLY 57 2.50 20 0.37 0.62 ++++++++++++++++++*+ VdW HB2 TYR 52 - N PRO 58 2.45 20 0.29 0.42 ++++++++*+++++++++++ VdW HB2 TYR 52 - CA PRO 58 2.60 9 0.19 0.40 * + +++ + + + + VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 ++++++++++++*+++++++ VdW CG TYR 52 - N PRO 58 3.05 7 0.20 0.32 + + +++ *+ VdW CG TYR 52 - CD PRO 58 3.20 20 0.38 0.47 ++++++++++++++*+++++ VdW CG TYR 52 - HD3 PRO 58 2.60 20 0.52 0.63 ++++++++*+++++++++++ VdW CD1 TYR 52 - C TYR 52 3.10 13 0.18 0.34 *+ ++++++ + + +++ VdW CD1 TYR 52 - CA GLY 57 3.20 14 0.22 0.38 ++ ++++++ + *+ +++ VdW CD1 TYR 52 - HA2 GLY 57 2.60 14 0.31 0.55 *+ ++++++ + ++ +++ VdW CD1 TYR 52 - CD PRO 58 3.20 14 0.31 0.52 ++ +++*++ + ++ +++ VdW CD1 TYR 52 - HD3 PRO 58 2.60 16 0.55 0.83 ++ ++++*++++ ++ +++ VdW HD1 TYR 52 - N GLY 57 2.45 6 0.12 0.35 + + ++ +* VdW HD1 TYR 52 - CA GLY 57 2.60 14 0.27 0.42 *+ ++++++ + ++ +++ VdW HD1 TYR 52 - HA2 GLY 57 2.00 10 0.18 0.37 ++ ++ +* + + ++ VdW CE1 TYR 52 - HD3 PRO 58 2.60 14 0.39 0.61 ++ +++++* + ++ +++ VdW HE1 TYR 52 - OH TYR 352 2.30 14 0.34 0.54 ++ ++++++ + ++ ++* VdW CZ TYR 52 - HD3 PRO 58 2.60 12 0.22 0.31 ++++* + + ++ + ++ VdW CE2 TYR 52 - HD3 PRO 58 2.60 7 0.22 0.63 ++ + *+ + + VdW HE2 TYR 52 - OH TYR 352 2.30 6 0.15 0.53 *+ + ++ + VdW CD2 TYR 52 - C TYR 52 3.10 6 0.08 0.30 ++ + ++ * VdW CD2 TYR 52 - CA GLY 57 3.20 6 0.09 0.33 ++ + ++ * VdW CD2 TYR 52 - HA2 GLY 57 2.60 6 0.12 0.45 ++ + ++ * VdW CD2 TYR 52 - CD PRO 58 3.20 7 0.17 0.54 ++ + *+ + + VdW CD2 TYR 52 - HD3 PRO 58 2.60 13 0.37 0.85 + ++ + + *+++++++ VdW HD2 TYR 52 - CA GLY 57 2.60 6 0.11 0.40 +* + ++ + VdW HD2 TYR 52 - HA LEU 96 2.00 13 0.22 0.54 ++ ++++++ + ++ *+ VdW OH TYR 52 - HE1 TYR 352 2.30 12 0.29 0.54 + ++ ++++* ++++ VdW OH TYR 52 - HE2 TYR 352 2.30 8 0.19 0.52 +++ + *+ ++ VdW N GLU 53 - HG2 GLU 53 2.45 11 0.14 0.30 + + + +++ + ++ +* VdW CG GLU 53 - HB THR 56 2.60 10 0.20 0.42 * + + + + + ++ ++ VdW HG3 GLU 53 - H THR 56 1.95 6 0.10 0.24 + + *+ + + VdW HG3 GLU 53 - HB THR 56 2.00 14 0.21 0.32 ++* ++ + + +++++++ VdW C GLU 53 - H ALA 55 2.45 19 0.25 0.31 ++++++++*+++ +++++++ VdW HA ALA 55 - CD1 ILE 400 2.60 6 0.12 0.28 + + +*+ + VdW CG2 THR 56 - C THR 56 2.90 20 0.26 0.32 ++++++*+++++++++++++ VdW O THR 56 - CG2 VAL 419 2.90 11 0.19 0.37 +++ ++*++++ + VdW HA2 GLY 57 - CD PRO 58 2.60 12 0.20 0.25 +++ + + ++++* + + VdW CD PRO 58 - CD PRO 358 3.20 20 0.86 1.11 ++++++++++++++++++*+ VdW CD PRO 58 - CG PRO 358 3.20 20 0.66 0.76 ++++++++++++++++*+++ VdW CD PRO 58 - HG2 PRO 358 2.60 20 0.32 0.42 ++++++++++++++*+++++ VdW CD PRO 58 - HD2 PRO 358 2.60 20 0.99 1.31 ++++++++++++++++++*+ VdW CB PRO 58 - CA ALA 95 3.20 16 0.34 0.55 ++++++++++++++ *+ VdW CB PRO 58 - CB ALA 95 3.20 20 0.61 0.70 ++++++++++++++++++*+ VdW CB PRO 58 - HB1 ALA 95 2.60 10 0.18 0.45 + ++ ++*+ + ++ VdW CB PRO 58 - HB2 ALA 95 2.60 7 0.13 0.48 +++ * + ++ VdW CB PRO 58 - HB3 ALA 95 2.60 11 0.22 0.49 + + ++ *+ +++++ VdW CB PRO 58 - O ALA 95 2.90 16 0.29 0.50 ++++++*+++++++ ++ VdW HB2 PRO 58 - CB ALA 95 2.60 20 0.81 0.89 ++++++++++++++++*+++ VdW HB2 PRO 58 - HB1 ALA 95 2.00 14 0.36 0.67 ++ +++++++ ++++* VdW HB2 PRO 58 - HB2 ALA 95 2.00 11 0.24 0.57 ++++ *++ ++ ++ VdW HB2 PRO 58 - HB3 ALA 95 2.00 15 0.35 0.60 +++ ++ ++ *+++++++ VdW HB2 PRO 58 - HB2 GLN 359 2.00 20 0.37 0.65 ++++++++++++++*+++++ VdW HB3 PRO 58 - CA ALA 95 2.60 16 0.28 0.45 ++++++++++++++ *+ VdW HB3 PRO 58 - C ALA 95 2.50 20 0.43 0.56 ++++++*+++++++++++++ VdW HB3 PRO 58 - O ALA 95 2.30 16 0.43 0.64 ++++++*+++++++ ++ VdW CG PRO 58 - CD PRO 358 3.20 20 0.66 0.80 ++++++++++++++++++*+ VdW CG PRO 58 - CG PRO 358 3.20 13 0.22 0.29 + +++*++ ++++ + + VdW CG PRO 58 - HD2 PRO 358 2.60 20 0.99 1.16 ++++++++++++++++++*+ VdW CG PRO 58 - H GLN 359 2.55 8 0.19 0.33 + + + ++ * ++ VdW HG2 PRO 58 - CD PRO 358 2.60 20 0.33 0.47 ++++++++++++++++++*+ VdW HG2 PRO 58 - HD2 PRO 358 2.00 19 0.27 0.42 ++++++++ ++++++++++* VdW HG2 PRO 58 - N GLN 359 2.45 7 0.17 0.32 + + + + * + + VdW HG2 PRO 58 - H GLN 359 1.95 20 0.63 0.75 ++++++++++++++*+++++ VdW HG3 PRO 58 - HD2 PRO 358 2.00 19 0.31 0.46 ++++++*+++ +++++++++ VdW HD2 PRO 58 - CD PRO 358 2.60 20 0.99 1.32 ++++++++++++++++++*+ VdW HD2 PRO 58 - CG PRO 358 2.60 20 0.98 1.09 ++++++++++++++++*+++ VdW HD2 PRO 58 - HG2 PRO 358 2.00 18 0.25 0.36 ++++++++++++++*+++ VdW HD2 PRO 58 - HG3 PRO 358 2.00 20 0.31 0.41 ++++++*+++++++++++++ VdW HD2 PRO 58 - HD2 PRO 358 2.00 20 0.59 0.88 ++++++++++++++++++*+ VdW N GLN 59 - HG2 PRO 358 2.45 8 0.19 0.41 + + + + ++ *+ VdW H GLN 59 - CG PRO 358 2.55 7 0.19 0.33 + + ++ + *+ VdW H GLN 59 - HG2 PRO 358 1.95 20 0.63 0.73 ++++++++*+++++++++++ VdW CA GLN 59 - OE1 GLN 59 2.90 18 0.28 0.41 ++++++ +*+++++++ +++ VdW CA GLN 59 - NE2 GLN 359 3.05 10 0.17 0.30 + ++ +++ + ++ * VdW HA GLN 59 - CD GLN 59 2.50 18 0.33 0.41 ++++++ +*+++++++ +++ VdW HA GLN 59 - OE1 GLN 59 2.30 18 0.34 0.56 ++++++ +*+++++++ +++ VdW HA GLN 59 - CD GLN 359 2.50 9 0.19 0.48 + +*+ + ++ + + VdW HA GLN 59 - NE2 GLN 359 2.45 20 0.37 0.55 ++++++*+++++++++++++ VdW CB GLN 59 - CZ PHE 392 3.20 18 0.40 0.49 +++++++++*++++ + +++ VdW CB GLN 59 - CB ALA 395 3.20 15 0.24 0.39 + +++++ + +++*+++ + VdW HB2 GLN 59 - HB2 PRO 358 2.00 19 0.35 0.52 + ++++++++++++*+++++ VdW HB2 GLN 59 - CB ALA 395 2.60 10 0.15 0.29 + +* + + +++ + + VdW HB3 GLN 59 - CE1 PHE 392 2.60 8 0.15 0.42 +* + +++ + + VdW HB3 GLN 59 - CZ PHE 392 2.60 19 0.59 0.76 ++++++ ++*++++++++++ VdW HB3 GLN 59 - CE2 PHE 392 2.60 9 0.16 0.41 ++++ + + + * + VdW CG GLN 59 - CB ALA 395 3.20 16 0.30 0.46 +++*+ + +++++++ +++ VdW CG GLN 59 - HB1 ALA 395 2.60 7 0.17 0.59 + + + ++ + * VdW CG GLN 59 - HB2 ALA 395 2.60 8 0.21 0.59 + + + + *+ + + VdW HG2 GLN 59 - HB1 ALA 395 2.00 7 0.18 0.60 * + + ++ + + VdW HG2 GLN 59 - HB2 ALA 395 2.00 8 0.20 0.57 + + + + ++ + * VdW CD GLN 59 - HA GLN 359 2.50 13 0.25 0.51 * +++++ ++ + ++ ++ VdW OE1 GLN 59 - NE2 GLN 359 2.75 15 0.30 0.42 +++++ + +*+++ + +++ VdW OE1 GLN 59 - CE1 PHE 392 2.90 9 0.23 0.64 ++++ * + + + + VdW OE1 GLN 59 - HE1 PHE 392 2.30 7 0.11 0.28 +++ + + + * VdW OE1 GLN 59 - CE2 PHE 392 2.90 9 0.22 0.68 ++ + *++ ++ + VdW NE2 GLN 59 - CA GLN 359 3.05 11 0.15 0.27 + +++ ++ + +* ++ VdW NE2 GLN 59 - HA GLN 359 2.45 20 0.38 0.55 *+++++++++++++++++++ VdW NE2 GLN 59 - OE1 GLN 359 2.75 14 0.26 0.43 ++++* + +++++ + + + VdW HE22 GLN 59 - CD2 LEU 362 2.55 9 0.13 0.33 +++ ++ + +* + VdW C GLN 59 - N ALA 61 2.95 8 0.19 0.24 ++ + +*+ + + VdW C GLN 59 - H ALA 61 2.45 9 0.20 0.30 + ++ * +++ + + VdW C GLN 59 - CZ PHE 392 3.10 15 0.23 0.30 + ++ +++++ + +*+++ + VdW C GLN 59 - HZ PHE 392 2.50 20 0.35 0.40 ++++++++*+++++++++++ VdW O GLN 59 - NE2 GLN 359 2.75 8 0.16 0.28 + +++ * + + + VdW O GLN 59 - HE1 PHE 392 2.30 7 0.12 0.34 ++++ + *+ VdW O GLN 59 - HE2 PHE 392 2.30 7 0.11 0.32 + * + + ++ + VdW O GLN 59 - HB1 ALA 416 2.30 8 0.14 0.42 +++ * + + ++ VdW O GLN 59 - HB2 ALA 416 2.30 7 0.14 0.50 +++ * + + + VdW CA GLU 60 - CB ALA 416 3.20 17 0.23 0.28 +*++++++++++++ + + + VdW HA GLU 60 - CB ALA 416 2.60 20 0.46 0.59 +++++*++++++++++++++ VdW HG3 GLU 60 - C GLU 60 2.50 11 0.15 0.33 *++ + + +++ + + + VdW O ALA 61 - C LEU 62 2.80 11 0.20 0.33 + +++ + + +++* + VdW O ALA 61 - N ALA 63 2.75 9 0.21 0.47 + ++ + + + +* + VdW O ALA 61 - N LEU 65 2.75 13 0.21 0.31 + +*+ ++++ +++++ VdW O ALA 61 - H LEU 65 1.80 9 0.19 0.31 ++ +++ + *++ VdW O ALA 61 - HD11 LEU 65 2.30 7 0.13 0.41 + + + * + + + VdW HB3 LEU 62 - HA GLU 413 2.00 6 0.15 0.32 + *+ ++ + VdW CD2 LEU 62 - HE22 GLN 359 2.55 9 0.13 0.29 ++* + + + + + + VdW CD2 LEU 62 - CD2 LEU 362 3.20 8 0.13 0.35 ++* + ++ ++ VdW CB ALA 63 - O GLU 413 2.90 12 0.24 0.46 +++ ++* + ++ ++ + VdW CB ALA 63 - N ALA 417 3.05 7 0.15 0.32 *+ ++ ++ + VdW O GLN 64 - N LEU 68 2.75 9 0.20 0.35 + + + *+ + + + + VdW O GLN 64 - H LEU 68 1.80 6 0.16 0.32 + * ++ + + VdW O GLN 64 - HB2 LEU 68 2.30 6 0.16 0.37 * ++ + + + VdW HG LEU 65 - HB3 GLN 91 2.00 15 0.23 0.47 ++ ++++++++ * + +++ VdW CD1 LEU 65 - NE2 GLN 91 3.05 9 0.13 0.29 +* +++ ++ + + VdW O LEU 65 - SG CYS 69 3.10 6 0.18 0.37 + ++ +*+ VdW CG GLU 67 - C GLU 67 2.90 14 0.21 0.23 + +++++++++ +*++ VdW CG GLU 67 - N LEU 68 3.05 6 0.13 0.34 ++ + + +* VdW HG3 GLU 67 - C GLU 67 2.50 6 0.18 0.31 *+ ++ ++ VdW HA LEU 68 - CD1 LEU 68 2.60 10 0.17 0.39 ++ ++ * + ++ ++ VdW HB2 CYS 69 - HG LEU 87 2.00 6 0.18 0.32 ++ + + * + VdW CG TRP 72 - C TRP 72 2.90 18 0.22 0.23 +*+++++++++++++ + ++ VdW CD1 TRP 72 - C TRP 72 3.10 19 0.35 0.39 +++++++++++++++ *+++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.30 0.31 +++++++++++*++++++++ VdW C ARG 74 - H GLU 76 2.45 20 0.30 0.35 *+++++++++++++++++++ VdW HB3 PRO 75 - HG3 LYS 80 2.00 9 0.19 0.26 ++ +++ *+ + + VdW O LYS 80 - N LEU 84 2.75 10 0.20 0.28 * ++ + + ++ + + + VdW O LYS 80 - HB2 LEU 84 2.30 13 0.16 0.26 + ++ ++*+ +++++ + VdW O MET 83 - HB3 LEU 86 2.30 11 0.28 0.54 +* + ++++ ++ ++ VdW O MET 83 - CD1 LEU 87 2.90 19 0.31 0.44 ++++++++++++++++* ++ VdW N LEU 84 - CD1 LEU 84 3.05 6 0.15 0.24 * + ++ + + VdW O LEU 84 - HD11 LEU 87 2.30 7 0.12 0.56 +++ +*++ VdW O LEU 84 - HD13 LEU 87 2.30 10 0.19 0.61 +++ ++++ + +* VdW O LEU 84 - HD21 LEU 87 2.30 9 0.15 0.48 ++ ++ + *++ + VdW O LEU 84 - HD23 LEU 87 2.30 6 0.11 0.37 + +* + + + VdW O LEU 84 - CG2 VAL 88 2.90 15 0.25 0.38 *++++++++ ++ +++ + VdW HG LEU 86 - N LEU 87 2.45 9 0.17 0.38 ++*+ ++ ++ + VdW N LEU 87 - CD1 LEU 87 3.05 18 0.24 0.30 ++++++++++++ +++* ++ VdW H LEU 87 - CD1 LEU 87 2.55 19 0.50 0.58 +++++++++++++++*+ ++ VdW H LEU 87 - HD11 LEU 87 1.95 7 0.16 0.44 +++ +*++ VdW H LEU 87 - HD13 LEU 87 1.95 10 0.16 0.36 +++ ++++ + *+ VdW CD2 LEU 87 - C LEU 87 3.10 19 0.31 0.38 +++++++*+++++++++ ++ VdW CD2 LEU 87 - N VAL 88 3.05 19 0.39 0.47 ++++++++++++*++++ ++ VdW HD21 LEU 87 - N VAL 88 2.45 8 0.15 0.38 ++ ++ *++ + VdW HD22 LEU 87 - C LEU 87 2.50 8 0.13 0.35 + + ++ +* + + VdW HD23 LEU 87 - C LEU 87 2.50 9 0.14 0.35 ++ +* + +++ + VdW HD23 LEU 87 - N VAL 88 2.45 10 0.18 0.36 + + +++++ +* + VdW CG1 VAL 88 - C VAL 88 2.90 7 0.15 0.23 + ++ +* + + VdW HB2 LEU 89 - CA SER 111 2.60 6 0.12 0.36 ++ + + + * VdW HB2 LEU 89 - C SER 111 2.50 7 0.15 0.41 *+ + ++ + + VdW HB2 LEU 89 - N PRO 112 2.45 6 0.12 0.36 + + +* + + VdW CG LEU 89 - N GLU 90 3.05 6 0.08 0.27 + + + + +* VdW HG LEU 89 - C GLY 110 2.50 10 0.14 0.32 ++ ++ +* + +++ VdW HG LEU 89 - N SER 111 2.45 10 0.17 0.42 ++ ++ ++ + *++ VdW CD1 LEU 89 - C LEU 89 3.10 6 0.14 0.37 + + + + +* VdW CD1 LEU 89 - N GLU 90 3.05 17 0.32 0.44 +++ ++ +*++++++++ ++ VdW CD2 LEU 89 - C LEU 89 3.10 13 0.35 0.58 +++ ++ ++ ++*+++ VdW CD2 LEU 89 - O LEU 89 2.90 12 0.18 0.35 +++ ++ ++ +*+ ++ VdW CD GLN 91 - C GLN 91 3.00 7 0.16 0.28 + + ++ + * + VdW NE2 GLN 91 - C GLN 91 2.95 15 0.33 0.51 ++ ++++++++ +*+ + + VdW NE2 GLN 91 - O GLN 91 2.75 17 0.31 0.47 ++*++++++++ +++++ + VdW O GLN 91 - C PHE 92 2.80 18 0.24 0.29 ++ ++++++++++++* +++ VdW O GLN 91 - N GLY 94 2.75 16 0.22 0.30 + ++ +++++++++* +++ VdW O GLN 91 - H GLY 94 1.80 6 0.18 0.24 + + + * + + VdW CD1 PHE 92 - C PHE 92 3.10 11 0.27 0.55 ++++ + *+++ ++ VdW CD1 PHE 92 - O PHE 92 2.90 6 0.13 0.31 ++ + + * + VdW HD1 PHE 92 - C PHE 92 2.50 11 0.32 0.66 ++++ + *+++ ++ VdW HD1 PHE 92 - N LEU 93 2.45 9 0.14 0.37 ++ + +++* ++ VdW CE1 PHE 92 - HB3 GLN 359 2.60 8 0.14 0.38 +++ + *+ + + VdW CE1 PHE 92 - OE1 GLN 359 2.90 7 0.17 0.62 ++ + ++* + VdW HE1 PHE 92 - O GLN 359 2.30 8 0.11 0.30 ++ ++++ *+ VdW CZ PHE 92 - CA ALA 116 3.20 19 0.29 0.35 ++++++++ +++++++*+++ VdW CZ PHE 92 - HA ALA 116 2.60 20 0.40 0.49 ++++++++++++++++*+++ VdW CZ PHE 92 - CB ALA 116 3.20 20 0.29 0.35 +++++++++++++++*++++ VdW CZ PHE 92 - HB1 ALA 116 2.60 9 0.17 0.44 * +++ + + + + + VdW CZ PHE 92 - HB3 ALA 116 2.60 6 0.11 0.46 + + + + * + VdW CZ PHE 92 - CB GLN 359 3.20 19 0.38 0.47 +++++*++++++++ +++++ VdW CZ PHE 92 - HB3 GLN 359 2.60 19 0.54 0.79 +++++*++++++++ +++++ VdW CZ PHE 92 - CG GLN 359 3.20 6 0.17 0.40 + + * + ++ VdW CZ PHE 92 - C GLN 359 3.10 17 0.24 0.30 + +++ +++*++ +++++++ VdW HZ PHE 92 - HB1 ALA 116 2.00 9 0.14 0.38 * +++ + + + + + VdW HZ PHE 92 - HB3 ALA 116 2.00 6 0.10 0.46 + + + + * + VdW HZ PHE 92 - C GLN 359 2.50 20 0.35 0.42 +++++++++*++++++++++ VdW CE2 PHE 92 - HB3 GLN 359 2.60 7 0.13 0.42 ++ + *++ + VdW CE2 PHE 92 - OE1 GLN 359 2.90 9 0.21 0.56 +++ + ++ * ++ VdW CE2 PHE 92 - O GLN 359 2.90 7 0.10 0.29 + + + +* ++ VdW HE2 PHE 92 - O GLN 359 2.30 8 0.13 0.31 + ++ + +* ++ VdW CD2 PHE 92 - C PHE 92 3.10 9 0.22 0.53 ++ ++*++ ++ VdW CD2 PHE 92 - O PHE 92 2.90 9 0.12 0.34 ++ +++++ *+ VdW HD2 PHE 92 - C PHE 92 2.50 9 0.27 0.65 ++ ++*++ ++ VdW HD2 PHE 92 - O PHE 92 2.30 9 0.12 0.35 ++ +++++ *+ VdW HD2 PHE 92 - N LEU 93 2.45 6 0.10 0.30 ++ * + ++ VdW O PHE 92 - N ALA 95 2.75 16 0.25 0.34 ++++++++*+++ ++ ++ VdW C LEU 93 - H ALA 95 2.45 16 0.29 0.38 ++++++++++++*+ ++ VdW C GLY 94 - H LEU 96 2.45 16 0.34 0.49 +*++++++++++++ ++ VdW CB ALA 95 - CB GLN 359 3.20 16 0.26 0.35 ++++++++*+++++ ++ VdW CB ALA 95 - HB2 GLN 359 2.60 8 0.15 0.24 + ++++ + * + VdW CB ALA 95 - CG GLN 359 3.20 14 0.27 0.49 +++++ + ++*++ + + + VdW HB1 ALA 95 - CG GLN 359 2.60 7 0.16 0.61 + ++ + + * + VdW HB1 ALA 95 - HG2 GLN 359 2.00 7 0.17 0.59 + + + * +++ VdW C ALA 95 - CG LEU 96 3.10 16 0.30 0.39 ++++++*+++++++ ++ VdW C ALA 95 - HG LEU 96 2.50 16 0.51 0.65 +++++++++*++++ ++ VdW O ALA 95 - CG LEU 96 2.90 16 0.26 0.37 ++++++*+++++++ ++ VdW O ALA 95 - HG LEU 96 2.30 16 0.23 0.33 +++++++++++*++ ++ VdW O ALA 95 - CD2 LEU 96 2.90 16 0.22 0.37 ++++++*+++++++ ++ VdW N LEU 96 - HG LEU 96 2.45 16 0.26 0.33 *+++++++++++++ ++ VdW CD1 LEU 96 - HB VAL 119 2.60 7 0.13 0.28 ++ + + *+ + VdW CD2 LEU 96 - HB VAL 119 2.60 8 0.17 0.35 ++ * +++ ++ VdW O LEU 96 - NE2 GLN 101 2.75 17 0.24 0.33 ++ +++++++ ++ +*++++ VdW CB PRO 97 - CD PRO 98 3.20 19 0.24 0.27 + ++++++++++++++++*+ VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.32 0.36 ++++++++++++++++++*+ VdW HB2 PRO 97 - CD PRO 98 2.60 18 0.24 0.29 + ++++++++ +++++++*+ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.45 0.50 ++++++++++++++++++*+ VdW CD1 ILE 100 - HA ALA 355 2.60 6 0.12 0.27 +* + ++ + VdW CG1 VAL 104 - C VAL 104 2.90 9 0.15 0.33 +++ + + + + + * VdW O VAL 104 - HB2 GLN 107 2.30 7 0.17 0.30 + ++ + + * + VdW O GLN 107 - CB ARG 108 2.90 8 0.17 0.33 ++ +++ + + * VdW HB3 PRO 109 - HA ALA 115 2.00 7 0.15 0.27 + + ++ +* + VdW HB3 PRO 109 - CD1 LEU 118 2.60 9 0.20 0.36 ++ ++ *+ +++ VdW HG2 PRO 109 - H GLY 110 1.95 19 0.25 0.28 ++*+++++++++++++++ + VdW HD3 PRO 109 - CD1 LEU 118 2.60 12 0.20 0.29 + + ++ +++++++ * VdW HA GLU 113 - HB3 LEU 362 2.00 6 0.14 0.26 + + + + + * VdW O GLU 113 - CB ALA 363 2.90 7 0.17 0.42 *++ ++ + + VdW CG GLU 114 - C GLU 114 2.90 12 0.19 0.24 +++ ++ ++ ++*++ VdW HG3 GLU 114 - C GLU 114 2.50 12 0.26 0.39 + + + ++++ *++ ++ VdW CA ALA 116 - HA GLU 360 2.60 9 0.18 0.23 + + ++ +++ + * VdW CB ALA 116 - CA GLU 360 3.20 18 0.24 0.28 +++++*++ +++++ +++++ VdW CB ALA 116 - HA GLU 360 2.60 20 0.47 0.58 +++++*++++++++++++++ VdW HB1 ALA 116 - O GLN 359 2.30 9 0.15 0.41 + *++ + + + + + VdW HB3 ALA 116 - O GLN 359 2.30 6 0.11 0.41 + + + + * + VdW N ALA 117 - CB ALA 363 3.05 9 0.18 0.36 ++ +*+ + ++ + VdW N ALA 117 - HB3 ALA 363 2.45 6 0.09 0.32 ++ + * ++ VdW O LEU 118 - HG LEU 122 2.30 8 0.19 0.36 ++ *+ + ++ + VdW N VAL 119 - CG1 VAL 119 2.85 9 0.17 0.24 *+ + ++ ++ + + VdW H VAL 119 - CG1 VAL 119 2.55 17 0.31 0.45 ++++++++ ++++++ ++* VdW CG2 VAL 119 - C VAL 119 2.90 15 0.24 0.33 *+++++++ + ++++ + + VdW CG2 VAL 119 - O THR 356 2.90 10 0.20 0.45 +* + +++ + ++ + VdW CB ASP 120 - OE1 GLU 360 2.90 6 0.10 0.32 ++ + +* + VdW CG PHE 347 - C PHE 347 2.90 20 0.23 0.24 ++++*+++++++++++++++ VdW CZ PHE 347 - HB2 GLN 391 2.60 17 0.26 0.36 +++ +++*+++++ ++ +++ VdW HA ARG 348 - HG2 GLN 391 2.00 16 0.27 0.48 +++ ++++++++* ++ + + VdW HA ARG 348 - OE1 GLN 391 2.30 12 0.20 0.38 ++ + + + ++ * ++++ VdW HE1 PHE 350 - O PRO 358 2.30 9 0.14 0.37 +++++ + + *+ VdW HZ PHE 350 - HB3 GLU 360 2.00 18 0.32 0.52 +++++*++++++++ + +++ VdW HE2 PHE 350 - O PRO 358 2.30 8 0.15 0.43 + * ++ + +++ VdW O PHE 350 - O GLY 394 2.60 19 0.27 0.35 +++++++++++++ ++++*+ VdW CG HIS 351 - C HIS 351 2.90 19 0.22 0.24 +++++++++++ +*++++++ VdW CG HIS 351 - O HIS 351 2.90 20 0.62 0.66 *+++++++++++++++++++ VdW ND1 HIS 351 - O HIS 351 2.80 8 0.20 0.29 + ++ + ++ * + VdW CD2 HIS 351 - O HIS 351 2.90 17 0.26 0.32 +++*+++ ++ +++++++ + VdW CB TYR 352 - CA PRO 358 3.20 7 0.17 0.31 ++ * + ++ + VdW CB TYR 352 - HA PRO 358 2.60 6 0.16 0.33 ++ * + + + VdW HB2 TYR 352 - C GLY 357 2.50 20 0.38 0.59 ++++++++++++++++++*+ VdW HB2 TYR 352 - N PRO 358 2.45 20 0.28 0.36 ++++++*+++++++++++++ VdW HB2 TYR 352 - CA PRO 358 2.60 8 0.18 0.45 + +* + ++ + + VdW CG TYR 352 - C TYR 352 2.90 20 0.24 0.24 +++++++++++++*++++++ VdW CG TYR 352 - N PRO 358 3.05 9 0.21 0.32 ++ ++* + + + + VdW CG TYR 352 - CD PRO 358 3.20 20 0.38 0.46 +++++++*++++++++++++ VdW CG TYR 352 - HD3 PRO 358 2.60 20 0.52 0.63 +++++++*++++++++++++ VdW CD1 TYR 352 - C TYR 352 3.10 12 0.16 0.30 + ++ +++++ ++*+ VdW CD1 TYR 352 - CA GLY 357 3.20 12 0.19 0.38 + ++ +++*+ ++++ VdW CD1 TYR 352 - HA2 GLY 357 2.60 12 0.27 0.56 + ++ +++*+ ++++ VdW CD1 TYR 352 - CD PRO 358 3.20 13 0.28 0.50 + ++ +++++ *++++ VdW CD1 TYR 352 - HD3 PRO 358 2.60 15 0.51 0.80 +++ ++ +++++ *++++ VdW HD1 TYR 352 - CA GLY 357 2.60 12 0.23 0.42 + *+ +++++ ++++ VdW HD1 TYR 352 - HA2 GLY 357 2.00 11 0.16 0.33 + +* ++++ ++++ VdW HD1 TYR 352 - HA LEU 396 2.00 6 0.11 0.47 + + ++ *+ VdW CE1 TYR 352 - HD3 PRO 358 2.60 13 0.35 0.60 + ++ +++++ *++++ VdW CZ TYR 352 - HD3 PRO 358 2.60 14 0.23 0.33 + ++++ +* ++ +++++ VdW CE2 TYR 352 - HD3 PRO 358 2.60 8 0.26 0.64 +++ + +* ++ VdW CD2 TYR 352 - C TYR 352 3.10 7 0.11 0.34 ++ + ++ +* VdW CD2 TYR 352 - CA GLY 357 3.20 8 0.12 0.34 +++ * ++ ++ VdW CD2 TYR 352 - HA2 GLY 357 2.60 8 0.17 0.55 +++ + ++ +* VdW CD2 TYR 352 - CD PRO 358 3.20 8 0.20 0.58 +++ + +* ++ VdW CD2 TYR 352 - HD3 PRO 358 2.60 15 0.42 0.90 ++++++++++ +* +++ VdW HD2 TYR 352 - CA GLY 357 2.60 8 0.15 0.41 +++ + ++ +* VdW HD2 TYR 352 - HA2 GLY 357 2.00 6 0.10 0.43 + + ++ +* VdW HD2 TYR 352 - HA LEU 396 2.00 11 0.17 0.46 + ++ +*+++ +++ VdW N GLU 353 - HG2 GLU 353 2.45 12 0.17 0.33 ++++ +*+ + ++++ VdW CG GLU 353 - HB THR 356 2.60 11 0.21 0.43 +*++ +++ + ++ + VdW HG3 GLU 353 - HB THR 356 2.00 15 0.24 0.42 *++++ ++ + ++ ++++ + VdW C GLU 353 - N ALA 355 2.95 6 0.18 0.25 + + + * + + VdW C GLU 353 - H ALA 355 2.45 18 0.27 0.39 ++++++++*++++ ++++ + VdW CG2 THR 356 - C THR 356 2.90 20 0.27 0.32 ++++++++++++++++*+++ VdW HA2 GLY 357 - CD PRO 358 2.60 12 0.19 0.24 *+++ + + +++++ + VdW CB PRO 358 - CA ALA 395 3.20 15 0.31 0.52 + +++++ + +++++*+ + VdW CB PRO 358 - CB ALA 395 3.20 20 0.62 0.75 ++++++++++++++++++*+ VdW CB PRO 358 - HB1 ALA 395 2.60 10 0.24 0.49 + + ++*+++ + + VdW CB PRO 358 - HB3 ALA 395 2.60 8 0.19 0.55 + + + ++ + *+ VdW CB PRO 358 - O ALA 395 2.90 15 0.27 0.56 + +++++ + +++*+++ + VdW HB2 PRO 358 - CB ALA 395 2.60 20 0.80 0.91 *+++++++++++++++++++ VdW HB2 PRO 358 - HB1 ALA 395 2.00 16 0.37 0.60 ++++++++++++ *+ + + VdW HB2 PRO 358 - HB2 ALA 395 2.00 13 0.30 0.58 *+ + +++ ++ ++ +++ VdW HB2 PRO 358 - HB3 ALA 395 2.00 11 0.27 0.58 + + * + +++ ++ ++ VdW HB3 PRO 358 - CA ALA 395 2.60 15 0.25 0.44 + +++++ + +++++*+ + VdW HB3 PRO 358 - C ALA 395 2.50 17 0.39 0.56 ++++++++ + +++++*+ + VdW HB3 PRO 358 - O ALA 395 2.30 15 0.41 0.72 + +++++ + +++*+++ + VdW CA GLN 359 - OE1 GLN 359 2.90 16 0.24 0.35 *++++++ +++++ + +++ VdW HA GLN 359 - CD GLN 359 2.50 16 0.30 0.42 +++++++ +++++ + ++* VdW HA GLN 359 - OE1 GLN 359 2.30 16 0.29 0.43 +++++++ +++++ + ++* VdW C GLN 359 - N ALA 361 2.95 8 0.19 0.27 + + * + ++ ++ VdW C GLN 359 - H ALA 361 2.45 9 0.21 0.35 + + + * + ++ ++ VdW HG3 GLU 360 - C GLU 360 2.50 11 0.16 0.34 +++* + + +++ + + VdW O ALA 361 - C LEU 362 2.80 8 0.19 0.28 + * + + ++ + + VdW O ALA 361 - N ALA 363 2.75 9 0.20 0.39 + ++ + *+ ++ + VdW O ALA 361 - N LEU 365 2.75 13 0.20 0.27 + ++ ++ +++++*++ VdW O ALA 361 - H LEU 365 1.80 8 0.18 0.25 + + + * ++++ VdW O ALA 361 - HD11 LEU 365 2.30 9 0.13 0.38 + + + +*+ ++ + VdW H GLN 364 - HG2 GLN 364 1.95 8 0.17 0.30 + *+ + + + + + VdW O GLN 364 - N LEU 368 2.75 9 0.20 0.37 +++ *++ + + + VdW N LEU 365 - HD11 LEU 365 2.45 6 0.11 0.43 + + +++ * VdW HG LEU 365 - CB GLN 391 2.60 6 0.13 0.27 + + + *+ + VdW HG LEU 365 - HB3 GLN 391 2.00 15 0.23 0.42 ++ + ++++++ ++++*+ VdW CD1 LEU 365 - NE2 GLN 391 3.05 6 0.12 0.34 + *+ + + + VdW O LEU 365 - SG CYS 369 3.10 9 0.20 0.46 +++*+ +++ + VdW CG GLU 367 - C GLU 367 2.90 14 0.20 0.23 + + +++++++ ++*+ + VdW HB2 CYS 369 - HG LEU 387 2.00 7 0.18 0.24 * ++ + + + + VdW CG TRP 372 - C TRP 372 2.90 20 0.22 0.23 ++++++*+++++++++++++ VdW CD1 TRP 372 - C TRP 372 3.10 20 0.37 0.39 +++++++++++++*++++++ VdW HA ARG 374 - CD PRO 375 2.60 20 0.30 0.31 ++++++++++++++++++*+ VdW C ARG 374 - H GLU 376 2.45 19 0.28 0.34 ++ +++*+++++++++++++ VdW HB3 PRO 375 - HG3 LYS 380 2.00 11 0.19 0.26 +++ ++ +*+++ + VdW O LYS 380 - N LEU 384 2.75 12 0.22 0.29 +*+++ ++++ +++ VdW O LYS 380 - HB2 LEU 384 2.30 11 0.15 0.26 + + + ++ ++*+++ VdW O MET 383 - N LEU 386 2.75 7 0.16 0.24 +* ++++ + VdW O MET 383 - HB3 LEU 386 2.30 10 0.28 0.67 ++ *++ ++ ++ + VdW O MET 383 - CD1 LEU 387 2.90 20 0.33 0.40 ++++++++++++++++++*+ VdW N LEU 384 - CD1 LEU 384 3.05 6 0.13 0.23 ++ + +*+ VdW O LEU 384 - HD12 LEU 387 2.30 6 0.11 0.60 * + ++ ++ VdW O LEU 384 - HD13 LEU 387 2.30 8 0.14 0.40 ++ ++ + + * + VdW O LEU 384 - HD21 LEU 387 2.30 10 0.15 0.49 ++ ++ + +*+ ++ VdW O LEU 384 - HD23 LEU 387 2.30 8 0.12 0.41 + * ++ ++ + + VdW O LEU 384 - CG2 VAL 388 2.90 17 0.28 0.37 +++ *++++++++ ++++ + VdW HG LEU 386 - N LEU 387 2.45 10 0.19 0.40 + ++ ++ ++*+ + VdW N LEU 387 - CD1 LEU 387 3.05 20 0.26 0.29 +++++++++*++++++++++ VdW H LEU 387 - CD1 LEU 387 2.55 20 0.53 0.59 +++++++++*++++++++++ VdW H LEU 387 - HD11 LEU 387 1.95 6 0.13 0.44 + +++ + * VdW H LEU 387 - HD13 LEU 387 1.95 9 0.17 0.34 ++ ++++ + * + VdW CD2 LEU 387 - C LEU 387 3.10 20 0.33 0.37 +++++++*++++++++++++ VdW CD2 LEU 387 - N VAL 388 3.05 20 0.41 0.44 +++*++++++++++++++++ VdW HD21 LEU 387 - N VAL 388 2.45 10 0.15 0.33 *+ ++ + +++ ++ VdW HD22 LEU 387 - C LEU 387 2.50 8 0.13 0.34 * + ++ ++ + + VdW HD23 LEU 387 - C LEU 387 2.50 10 0.17 0.35 ++ +* + +++ ++ VdW HD23 LEU 387 - N VAL 388 2.45 9 0.17 0.34 + + *+ ++ + + + VdW CG1 VAL 388 - C VAL 388 2.90 9 0.17 0.24 + * + ++++ + + VdW HB2 LEU 389 - CA SER 411 2.60 11 0.17 0.37 ++ +* +++ ++++ VdW HB2 LEU 389 - C SER 411 2.50 10 0.20 0.44 *+ ++ + + ++++ VdW CG LEU 389 - N GLU 390 3.05 8 0.12 0.26 ++ +++ ++* VdW HG LEU 389 - C GLY 410 2.50 6 0.11 0.30 + + +* + + VdW HG LEU 389 - N SER 411 2.45 6 0.11 0.36 + + ++ *+ VdW CD1 LEU 389 - C LEU 389 3.10 9 0.19 0.41 + ++ +*+ +++ VdW CD1 LEU 389 - N GLU 390 3.05 11 0.29 0.45 +++ + ++ +++ +* VdW CD2 LEU 389 - C LEU 389 3.10 11 0.31 0.62 +++ + ++ +++ *+ VdW CD2 LEU 389 - O LEU 389 2.90 11 0.17 0.36 +++ + ++ ++* ++ VdW CD GLN 391 - O GLN 391 2.80 6 0.16 0.43 * + ++ + + VdW NE2 GLN 391 - C GLN 391 2.95 12 0.26 0.50 ++ +++*+++ + + + VdW NE2 GLN 391 - O GLN 391 2.75 15 0.29 0.48 +++ ++++++++ *+ + + VdW O GLN 391 - C PHE 392 2.80 19 0.24 0.27 ++++++++*+++++++++ + VdW O GLN 391 - N GLY 394 2.75 14 0.22 0.31 ++ ++ +*+++ +++ + + VdW CD1 PHE 392 - C PHE 392 3.10 10 0.25 0.53 +* + + +++ ++ + VdW CD1 PHE 392 - O PHE 392 2.90 8 0.11 0.28 ++ + ++* ++ VdW HD1 PHE 392 - C PHE 392 2.50 10 0.30 0.64 +* + + +++ ++ + VdW HD1 PHE 392 - O PHE 392 2.30 7 0.10 0.33 ++ * + + ++ VdW HD1 PHE 392 - N LEU 393 2.45 8 0.14 0.36 ++ + +++ + * VdW CZ PHE 392 - CA ALA 416 3.20 17 0.27 0.33 +++++ +++++++ ++*++ VdW CZ PHE 392 - HA ALA 416 2.60 17 0.38 0.51 +++++ +++++++ ++*++ VdW CZ PHE 392 - CB ALA 416 3.20 20 0.28 0.33 ++++*+++++++++++++++ VdW CZ PHE 392 - HB1 ALA 416 2.60 8 0.14 0.41 ++* + + + ++ VdW CZ PHE 392 - HB2 ALA 416 2.60 7 0.13 0.45 *++ + + + + VdW HZ PHE 392 - HB1 ALA 416 2.00 8 0.14 0.44 +*+ + + + ++ VdW HZ PHE 392 - HB2 ALA 416 2.00 7 0.12 0.44 +*+ + + + + VdW HE2 PHE 392 - CG1 VAL 419 2.60 6 0.09 0.29 +++ + * + VdW CD2 PHE 392 - C PHE 392 3.10 10 0.25 0.54 +*++ + + + ++ + VdW CD2 PHE 392 - O PHE 392 2.90 10 0.13 0.32 ++++ + + + *+ + VdW HD2 PHE 392 - C PHE 392 2.50 10 0.29 0.64 +*++ + + + ++ + VdW HD2 PHE 392 - O PHE 392 2.30 10 0.12 0.34 ++++ + + + *+ + VdW HD2 PHE 392 - N LEU 393 2.45 7 0.12 0.32 * + + + + + + VdW O PHE 392 - N ALA 395 2.75 15 0.24 0.34 + +++++ + +++*+++ + VdW C LEU 393 - H ALA 395 2.45 15 0.28 0.39 + +*+++ + +++++++ + VdW C GLY 394 - H LEU 396 2.45 15 0.32 0.47 + +++++ + +++++*+ + VdW C ALA 395 - CG LEU 396 3.10 15 0.28 0.39 + +++++ + ++++++* + VdW C ALA 395 - HG LEU 396 2.50 15 0.47 0.66 + +++++ + ++++++* + VdW O ALA 395 - CG LEU 396 2.90 15 0.25 0.36 + +++++ + +++*+++ + VdW O ALA 395 - HG LEU 396 2.30 14 0.22 0.34 + +++* + +++++++ + VdW O ALA 395 - CD2 LEU 396 2.90 15 0.22 0.37 + +++++ + +++*+++ + VdW N LEU 396 - HG LEU 396 2.45 16 0.25 0.33 + +*+++ + +++++++++ VdW CD2 LEU 396 - HB VAL 419 2.60 7 0.14 0.33 + ++ + * + + VdW O LEU 396 - NE2 GLN 401 2.75 17 0.24 0.34 +++++++*+++ ++ ++++ VdW CB PRO 397 - CD PRO 398 3.20 20 0.24 0.27 ++++++++*+++++++++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.32 0.36 ++++++++*+++++++++++ VdW HB2 PRO 397 - CD PRO 398 2.60 19 0.24 0.30 ++++++++*+++++++++ + VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.45 0.51 ++++++++*+++++++++++ VdW CG1 VAL 404 - C VAL 404 2.90 10 0.16 0.32 + +++ + + + +*+ VdW O VAL 404 - HB2 GLN 407 2.30 8 0.17 0.28 ++ + ++* + + VdW O GLN 407 - CB ARG 408 2.90 11 0.17 0.26 + ++ ++* + + ++ + VdW HB3 PRO 409 - HA ALA 415 2.00 7 0.16 0.32 + + + + * + + VdW HB3 PRO 409 - CD1 LEU 418 2.60 11 0.21 0.33 ++++ + + + *+++ VdW HG2 PRO 409 - H GLY 410 1.95 20 0.25 0.28 ++++++++*+++++++++++ VdW CG GLU 414 - C GLU 414 2.90 12 0.19 0.24 +++ + +++ + *+++ VdW HG3 GLU 414 - C GLU 414 2.50 14 0.26 0.39 + + + +++ +*+++ + ++ VdW O LEU 418 - HG LEU 422 2.30 9 0.18 0.39 +++ + +++ + * VdW N VAL 419 - CG1 VAL 419 2.85 6 0.15 0.24 * + + +++ VdW H VAL 419 - CG1 VAL 419 2.55 16 0.28 0.43 ++++ +++++*+ +++++ VdW CG2 VAL 419 - C VAL 419 2.90 16 0.22 0.33 +*++ +++++++ +++++ Angle PSI LEU 45 -52.00 -32.00 9 4.74 9.95 +++ ++ + + * + Angle PSI ARG 48 -34.00 -4.00 19 12.10 17.98 +++++++++++*++++ +++ Angle PHI CYS 49 -106.00 -66.00 20 9.69 12.49 +++++++++++++++++*++ Angle PSI CYS 49 -51.00 -5.00 20 26.65 32.12 +++++++++++++++++++* Angle PHI PHE 50 -112.00 -54.00 20 10.72 16.41 ++++++++++++++++*+++ Angle PSI PHE 50 120.00 140.00 20 15.03 17.99 +++++++++++++++++*++ Angle PSI HIS 51 99.00 143.00 16 7.65 14.34 *+++++++++++++ ++ Angle PHI ALA 55 -80.00 -58.00 20 32.76 39.64 ++++++++++++*+++++++ Angle PHI THR 56 -112.00 -82.00 19 15.70 21.39 ++++++++ +++*+++++++ Angle PSI THR 56 -15.00 15.00 20 25.22 44.41 ++++++++++*+++++++++ Angle PHI GLN 59 -77.00 -57.00 12 6.51 13.13 ++ + ++ ++ ++ + *+ Angle PHI GLU 60 -75.00 -55.00 16 7.17 9.80 ++++ +++++++++ ++* Angle PSI GLU 60 -54.00 -34.00 20 14.26 22.61 *+++++++++++++++++++ Angle PHI ALA 61 -72.00 -52.00 8 3.88 7.83 + ++ ++++ * Angle PSI ALA 61 -53.00 -33.00 11 5.80 13.81 +++ ++ +++* + + Angle PHI LEU 62 -71.00 -51.00 20 12.75 23.36 ++++++++++++++*+++++ Angle PHI ALA 63 -76.00 -56.00 13 7.38 14.19 +++ ++ + +++++*+ Angle PSI ALA 63 -48.00 -28.00 13 9.30 16.63 +++*++ + + +++++ Angle PSI GLN 64 -51.00 -31.00 9 4.90 15.87 +* ++ +++ + + Angle PSI LEU 65 -52.00 -32.00 13 6.07 11.89 +++ +++++ * + + ++ Angle PSI ARG 66 -50.00 -30.00 18 8.86 13.58 ++++++++++++ +++ *++ Angle PHI GLU 67 -79.00 -59.00 11 6.24 11.61 +++ +* + ++++ + Angle PSI VAL 77 -29.00 -5.00 6 4.55 5.83 + + + ++* Angle PHI LYS 80 -69.00 -49.00 17 6.82 8.86 *++++ ++++ ++++++++ Angle PSI LYS 80 -48.00 -28.00 20 9.72 12.05 +++++++++++++++++++* Angle PSI GLU 81 -50.00 -30.00 12 5.11 9.60 +++ ++++ + ++*+ Angle PHI GLN 82 -76.00 -56.00 7 5.18 17.33 + + + ++ * + Angle PHI LEU 84 -73.00 -53.00 6 3.85 6.12 + ++ + +* Angle PSI GLU 85 -54.00 -34.00 20 19.37 34.87 +++++++++++++++++++* Angle PHI LEU 87 -77.00 -57.00 19 11.61 23.04 +++++++++++++++++* + Angle PSI LEU 87 -51.00 -31.00 18 7.82 11.36 +++++++*++++++++ ++ Angle PSI VAL 88 -55.00 -35.00 19 7.93 10.03 +++++++++++ +++++++* Angle PHI PHE 92 -74.00 -54.00 20 18.75 22.75 +++++++++++++++*++++ Angle PHI LEU 93 -72.00 -52.00 20 10.23 12.81 ++++++++*+++++++++++ Angle PSI GLY 94 -46.00 -8.00 16 9.81 15.67 +++*++++++++++ ++ Angle PSI PRO 97 132.20 154.90 20 27.51 29.11 ++++++++++++++++++*+ Angle PSI PRO 98 -46.00 -28.00 20 11.66 15.16 ++++++++++++++++++*+ Angle PHI ILE 100 -73.00 -53.00 16 6.33 8.03 +++++++++++*++ ++ Angle PHI ALA 102 -72.00 -52.00 20 8.85 10.91 ++++*+++++++++++++++ Angle PHI ARG 103 -73.00 -53.00 20 9.95 15.96 +++++++++++++++*++++ Angle PSI VAL 104 -54.00 -34.00 16 6.73 12.39 + +++++++++++++ +* Angle PHI GLY 106 -79.00 -59.00 6 4.34 7.42 + + *+ + + Angle PSI GLY 106 -40.00 -6.00 20 10.16 13.88 ++++++++++++++++++*+ Angle PHI GLY 110 58.00 92.00 20 15.03 19.71 +++++*++++++++++++++ Angle PSI ALA 117 -50.00 -30.00 19 12.79 17.96 ++++++++ ++*++++++++ Angle PSI LEU 118 -48.00 -28.00 15 7.48 13.83 + ++++++ +++ ++ *++ Angle PHI VAL 119 -74.00 -54.00 12 5.38 12.21 ++ *+ ++++ +++ + Angle PHI ASP 120 -69.00 -49.00 20 17.57 21.23 ++++++++++*+++++++++ Angle PSI LEU 345 -52.00 -32.00 6 4.03 8.77 * + + + + + Angle PSI ARG 348 -34.00 -4.00 20 10.67 17.52 +++++++++++++++*++++ Angle PHI CYS 349 -106.00 -66.00 20 9.52 13.76 ++++++++++++++++++*+ Angle PSI CYS 349 -51.00 -5.00 20 28.08 31.59 ++++++++++++++++*+++ Angle PHI PHE 350 -112.00 -54.00 20 10.54 13.15 +++++++++++++++++++* Angle PSI PHE 350 120.00 140.00 20 15.22 19.12 +*++++++++++++++++++ Angle PSI HIS 351 99.00 143.00 15 7.93 12.42 * +++++ + +++++++ + Angle PSI GLU 354 -38.00 -16.00 9 5.30 9.89 + +* + ++ + ++ Angle PHI ALA 355 -80.00 -58.00 20 34.16 41.58 ++++++++++++++++++*+ Angle PHI THR 356 -112.00 -82.00 20 17.14 22.57 +++*++++++++++++++++ Angle PSI THR 356 -15.00 15.00 20 24.08 39.51 ++++++++++*+++++++++ Angle PHI GLN 359 -77.00 -57.00 13 6.50 13.41 ++ +++ ++ ++ +*+ + Angle PHI GLU 360 -75.00 -55.00 16 6.57 9.17 +*+++ +++++++++ ++ Angle PSI GLU 360 -54.00 -34.00 20 15.14 21.77 *+++++++++++++++++++ Angle PHI ALA 361 -72.00 -52.00 7 3.42 7.19 ++ * + ++ + Angle PSI ALA 361 -53.00 -33.00 10 5.73 13.80 +++ * + + + ++ + Angle PHI LEU 362 -71.00 -51.00 20 11.92 18.99 ++*+++++++++++++++++ Angle PHI ALA 363 -76.00 -56.00 10 5.78 14.05 +++ ++ + +* ++ Angle PSI ALA 363 -48.00 -28.00 14 8.62 15.92 + +++ + *+++ ++ +++ Angle PSI GLN 364 -51.00 -31.00 14 6.92 12.32 ++ + +++++ + ++* ++ Angle PSI LEU 365 -52.00 -32.00 16 7.19 11.84 +++++ ++++++++* + + Angle PSI ARG 366 -50.00 -30.00 18 7.76 14.07 +++++ ++++++++++ *++ Angle PHI GLU 367 -79.00 -59.00 8 4.95 12.22 ++ *++ + + + Angle PHI LYS 380 -69.00 -49.00 19 6.93 9.70 *++++++++ ++++++++++ Angle PSI LYS 380 -48.00 -28.00 20 10.10 11.23 ++++++*+++++++++++++ Angle PSI GLU 381 -50.00 -30.00 11 5.05 6.63 + + * ++++++++ Angle PHI GLN 382 -76.00 -56.00 10 5.57 10.90 ++++ +*++ + + Angle PHI LEU 384 -73.00 -53.00 7 4.23 6.54 +*+ ++++ Angle PSI GLU 385 -54.00 -34.00 20 18.47 33.61 +++*++++++++++++++++ Angle PHI LEU 387 -77.00 -57.00 18 10.24 20.88 ++++++++ +++*++++++ Angle PSI LEU 387 -51.00 -31.00 20 8.11 11.70 +++++++*++++++++++++ Angle PSI VAL 388 -55.00 -35.00 19 7.64 9.24 ++ ++++++++*++++++++ Angle PHI LEU 389 -70.00 -50.00 8 4.42 7.12 + +++ + + *+ Angle PHI PHE 392 -74.00 -54.00 20 18.51 21.31 ++++++++*+++++++++++ Angle PHI LEU 393 -72.00 -52.00 19 9.75 12.57 ++++++*+++++++++++ + Angle PSI GLY 394 -46.00 -8.00 15 9.32 14.26 + +++++ * +++++++ + Angle PSI PRO 397 132.20 154.90 20 27.52 29.42 ++++++++*+++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 11.53 13.37 +++++++*++++++++++++ Angle PHI ILE 400 -73.00 -53.00 18 6.67 8.09 + +++++ +++++++++++* Angle PHI ALA 402 -72.00 -52.00 20 8.78 11.67 ++++++++*+++++++++++ Angle PHI ARG 403 -73.00 -53.00 20 9.96 16.49 +*++++++++++++++++++ Angle PSI VAL 404 -54.00 -34.00 14 6.71 13.41 + ++++ +++++ +*+ + Angle PSI GLY 406 -40.00 -6.00 20 9.86 15.07 ++++++++++++++++++*+ Angle PHI GLY 410 58.00 92.00 20 15.36 19.56 +++++++++++++++*++++ Angle PSI ALA 417 -50.00 -30.00 16 11.41 19.83 ++++ *++++++ +++++ Angle PSI LEU 418 -48.00 -28.00 16 7.22 13.19 *+++ +++++++ +++++ Angle PHI VAL 419 -74.00 -54.00 10 5.42 12.99 ++ *++++++ + Angle PHI ASP 420 -69.00 -49.00 20 17.70 20.78 ++++++++++*+++++++++ 417 violated distance constraints. 96 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.27 +/- 0.05 A (0.20..0.39 A; 20 structures) Average heavy atom RMSD to mean : 0.70 +/- 0.05 A (0.60..0.82 A; 20 structures)