Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1306.24 682 0.2195 5.39 995 517.8 1.34 13716.8314 76.70 2 1310.29 668 0.2201 5.23 997 517.0 1.42 13617.5984 76.85 3 1311.37 644 0.2206 5.401042 528.8 1.17 12717.3625 88.93 4 1312.93 688 0.2196 5.271045 533.2 1.25 12817.0528 74.61 5 1324.97 688 0.2210 5.351068 540.9 1.49 13316.2410 71.29 6 1325.53 668 0.2181 5.281077 548.0 1.31 14517.8244 72.76 7 1327.43 670 0.2192 5.331066 542.2 1.43 14716.9801 70.05 8 1329.53 688 0.2224 5.441046 531.2 1.38 14217.3495 74.57 9 1332.45 682 0.2194 5.221017 530.7 1.28 12617.5364 71.67 10 1333.47 631 0.2245 5.191013 526.8 1.33 13015.6632 78.04 11 1333.75 691 0.2168 5.451034 544.2 1.30 14017.5248 69.86 12 1333.90 652 0.2242 5.271039 537.0 1.18 12514.8167 71.19 13 1335.41 707 0.2227 5.651041 538.3 1.33 12716.0969 73.29 14 1335.45 663 0.2189 5.291042 541.6 1.33 13417.1706 72.94 15 1336.75 669 0.2182 5.051061 542.0 1.09 13718.5695 75.56 16 1337.04 672 0.2240 5.471016 522.4 1.29 13016.6263 73.67 17 1337.24 667 0.2217 5.321043 530.0 1.34 12817.0344 68.52 18 1338.01 637 0.2225 5.591022 529.0 1.33 14116.8978 75.94 19 1339.77 640 0.2255 5.521051 539.2 1.41 12915.8491 72.82 20 1339.82 645 0.2208 5.411035 536.3 1.20 14617.9875 76.42 Ave 1329.07 668 0.2210 5.361038 533.8 1.31 13416.9507 74.28 +/- 10.33 20 0.0023 0.14 22 8.4 0.09 7 0.8581 4.21 Min 1306.24 631 0.2168 5.05 995 517.0 1.09 12514.8167 68.52 Max 1339.82 707 0.2255 5.651077 548.0 1.49 14718.5695 88.93 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H ALA 42 - H ARG 44 4.24 14 0.13 0.25 ++ ++ + ++++ +++ + * peak 579 Upper HA ALA 43 - QB ARG 46 4.02 11 0.11 0.19 + ++ +* +++++ + peak 1584 Upper QB ALA 43 - HB3 TRP 72 4.15 9 0.08 0.25 + + + + +*++ + peak 2633 Upper QB ALA 43 - HD1 TRP 72 3.78 10 0.09 0.23 + +++ + +++ * + peak 1651 Upper QB ALA 43 - HE3 TRP 72 4.53 20 0.80 1.07 +++++++++++++*++++++ peak 125 Upper H ARG 44 - H ARG 46 4.70 18 0.19 0.33 +*+++++++ +++++ ++++ peak 127 Upper H ARG 44 - HB3 TRP 72 5.50 18 0.38 0.77 ++ ++ +++++++++++++* peak 2643 Upper HA ARG 44 - HZ PHE 47 5.19 20 0.39 0.88 +++++++++++++++++++* peak 1842 Upper H LEU 45 - HG LEU 45 3.23 11 0.34 0.89 + +*+ ++ + ++++ peak 686 Upper HA LEU 45 - QD PHE 47 4.24 9 0.14 0.55 ++* ++ + + ++ peak 103 QD PHE 47 - HA ARG 66 Upper QD2 LEU 45 - H ARG 48 4.88 17 0.30 0.55 ++ ++++ ++++++++*++ peak 748 Upper HA PHE 47 - QD2 LEU 65 4.58 20 0.81 1.44 +++*++++++++++++++++ peak 2379 Upper HB2 PHE 47 - QD2 LEU 68 3.41 18 0.45 0.79 ++ +++ ++*++++++++++ peak 2483 Upper HB3 PHE 47 - QD2 LEU 68 4.47 15 0.31 0.61 ++ +++ *++ ++++ +++ peak 2508 Upper QD PHE 47 - QD2 LEU 65 4.21 8 0.09 0.36 + + *++ ++ + peak 303 Upper QD PHE 47 - QD2 LEU 68 4.83 8 0.13 0.45 + + * ++ + ++ peak 2530 Upper QD PHE 47 - QG2 VAL 88 4.17 20 0.77 1.12 +++++++++++++++++*++ peak 3165 Upper QE PHE 47 - QD2 LEU 62 5.32 10 0.19 0.74 +++ + + + +++* peak 2310 QE PHE 47 - QD2 LEU 362 Upper QE PHE 47 - HG LEU 65 3.76 13 0.33 0.96 + +++++* + ++ ++ + peak 317 Upper QE PHE 47 - HB2 LEU 68 5.15 9 0.11 0.37 ++ ++ ++* + + peak 2520 H GLU 67 - HB2 LEU 68 Upper QE PHE 47 - HG LEU 68 5.50 9 0.16 0.50 + *+ ++ + + + + peak 2527 H GLU 67 - HG LEU 68 Upper QE PHE 47 - H GLU 90 4.61 17 0.49 1.09 ++++++++ +++++*+++ peak 402 Upper HZ PHE 47 - QD1 LEU 65 4.03 11 0.44 1.96 + + * + +++ ++++ peak 292 Upper HZ PHE 47 - QD2 LEU 65 4.17 19 1.43 1.98 ++++ ++++++++++++*++ peak 291 Upper HZ PHE 47 - HB3 LEU 87 5.50 12 0.27 1.00 ++ + + + ++ +*+++ peak 3103 Upper HA ARG 48 - HE21 GLN 91 4.65 8 0.13 0.60 + *++ ++ + + peak 414 Upper H PHE 50 - QD2 LEU 65 4.28 18 0.95 1.96 +++*++++++ ++++ ++++ peak 779 Upper HA PHE 50 - HB3 HIS 51 5.50 20 0.15 0.20 +++++++++++++++*++++ peak 2038 Upper HA PHE 50 - QD2 LEU 65 5.50 9 0.26 1.25 + +*+ ++ + + + peak 2035 Upper HA PHE 50 - QB ALA 95 4.26 6 0.07 0.26 + + + * + + peak 1717 HA TYR 52 - QB ALA 95 Upper HB2 PHE 50 - QB ALA 95 4.71 7 0.08 0.32 + + + ++*+ peak 1714 Upper HB3 PHE 50 - QD1 LEU 65 5.50 7 0.13 0.57 +++ ++ + * peak 2010 Upper HB3 PHE 50 - QB ALA 95 4.79 20 1.36 1.72 ++++++++++++*+++++++ peak 2008 Upper QD PHE 50 - HB3 GLN 64 3.90 20 0.60 1.04 ++++*+++++++++++++++ peak 276 Upper QD PHE 50 - HG LEU 65 3.49 9 0.19 0.86 +++ +* ++ + + peak 283 Upper QD PHE 50 - QD1 LEU 65 3.56 16 0.46 1.19 +++ *++ ++++ ++++++ peak 284 Upper QD PHE 50 - QD1 LEU 68 3.16 20 1.02 1.41 +++++*++++++++++++++ peak 279 Upper QD PHE 50 - HA PHE 92 4.37 20 0.64 1.18 +++++++++++++++++*++ peak 3240 Upper QD PHE 50 - QB ALA 95 3.01 20 1.30 1.96 +++++++++*++++++++++ peak 278 Upper QD PHE 50 - QB ALA 395 3.02 20 5.25 5.65 ++++++++++++*+++++++ peak 8165 Upper QE PHE 50 - QB TYR 52 5.06 20 1.07 1.46 ++++++++++++++*+++++ peak 262 Upper QE PHE 50 - H GLU 53 5.50 19 0.85 1.63 ++++++++*++++++++ ++ peak 797 Upper QE PHE 50 - QG GLU 53 5.50 8 0.28 1.02 ++ +* + ++ + peak 2090 Upper QE PHE 50 - QB ALA 61 3.28 20 0.83 1.14 +*++++++++++++++++++ peak 266 Upper QE PHE 50 - HB2 GLN 64 3.86 8 0.14 0.61 ++ ++ + * + + peak 264 Upper QE PHE 50 - HG LEU 65 5.07 10 0.30 0.95 +++ +* ++ + + + peak 270 Upper QE PHE 50 - QD1 LEU 68 3.94 20 1.01 1.48 +++++*++++++++++++++ peak 269 Upper QE PHE 50 - QB ALA 95 3.87 20 0.96 1.39 ++++++++++++++++*+++ peak 267 QB ALA 95 - QE PHE 350 Upper QE PHE 50 - QB ALA 95 3.86 20 1.04 1.55 ++++++++++++++++*+++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.34 20 4.02 4.55 ++++++++++++*+++++++ peak 8164 Upper H HIS 51 - HB2 GLN 64 5.12 20 1.29 1.69 ++*+++++++++++++++++ peak 786 Upper HA HIS 51 - QB ALA 95 3.68 15 0.18 0.36 +++ ++*+ ++++ ++ ++ peak 1718 Upper HB2 HIS 51 - QB ALA 95 5.20 20 0.63 0.86 ++++++*+++++++++++++ peak 2051 Upper HB3 HIS 51 - QB ALA 95 3.77 20 1.76 1.98 ++++++*+++++++++++++ peak 8174 Upper HA TYR 52 - QB ALA 95 3.96 18 0.40 0.63 +++++ +++++*+++++++ peak 8166 Upper QB TYR 52 - QB ALA 395 4.18 20 2.77 3.16 +++++++++*++++++++++ peak 2059 Upper QB TYR 52 - QD2 LEU 396 4.18 20 2.14 2.49 +++++++++++++++++*++ peak 8179 Upper QD TYR 52 - HA GLU 54 4.61 7 0.14 0.76 ++ ++ + * + peak 2184 Upper QD TYR 52 - QG GLU 54 5.21 7 0.06 0.29 +++ *+ + + peak 2191 Upper QD TYR 52 - H ALA 61 4.86 16 0.42 0.93 ++++++ ++++ +++*+ + peak 870 Upper QD TYR 52 - HB3 LEU 96 3.49 9 0.12 0.36 ++ ++ *++ + + peak 249 QD TYR 52 - QD1 ILE 100 Upper QD TYR 52 - QD1 LEU 96 4.32 20 0.53 1.19 +*++++++++++++++++++ peak 251 Upper QD TYR 52 - QB ALA 395 3.68 20 3.09 3.86 ++++++++++++*+++++++ peak 8175 Upper QD TYR 52 - QD2 LEU 396 3.70 20 1.78 2.34 +++++++++++++++++*++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.11 20 2.14 2.57 ++++++++++++*+++++++ peak 8115 Upper QE TYR 52 - QG GLU 54 3.21 16 0.45 1.13 +++ +*+ ++++++++++ peak 231 Upper QE TYR 52 - QG2 THR 56 5.50 11 0.28 0.94 ++ +++ + ++* ++ peak 1769 QE TYR 52 - QG2 THR 356 Upper QE TYR 52 - HA PRO 58 3.34 11 0.24 0.61 +* +++ ++++ ++ peak 46 Upper QE TYR 52 - HB3 PRO 58 3.38 11 0.36 0.96 +* +++ +++ +++ peak 232 Upper QE TYR 52 - QD1 LEU 96 5.42 19 0.44 0.95 +*++++++++++ +++++++ peak 239 Upper QE TYR 52 - QD2 LEU 96 3.63 6 0.07 0.53 +* + + + + peak 240 Upper QE TYR 52 - QG2 VAL 119 3.49 17 0.53 1.43 *++++++++++++ + +++ peak 238 Upper QE TYR 52 - QD ARG 123 5.50 6 0.10 0.39 ++ + + + * peak 4040 Upper QE TYR 52 - QB ALA 395 4.34 20 2.90 3.69 *+++++++++++++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.90 20 0.98 1.57 ++*+++++++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.73 20 1.18 1.78 ++++++++++++*+++++++ peak 8114 Upper QE TYR 52 - QG2 VAL 419 3.65 9 0.15 0.50 ++ + +* + +++ peak 8189 Upper QG GLU 53 - QB ALA 55 3.62 15 0.66 1.24 *++++++ +++ + ++++ peak 2077 Upper QG GLU 53 - H GLY 57 4.13 7 0.11 0.63 + +*+ + + + peak 823 Upper QG GLU 53 - HD2 PRO 97 5.50 15 0.41 0.89 *++ ++ +++++ ++ +++ peak 2085 Upper HA GLU 54 - QG2 THR 56 5.50 11 0.18 0.53 ++ +++ + +++ *+ peak 1764 QG2 THR 56 - HD3 PRO 58 Upper HA GLU 54 - H GLY 57 3.90 17 0.41 0.76 +*++ ++++++++++ +++ peak 821 Upper QB ALA 55 - HB THR 56 4.40 12 0.30 0.81 ++ + +++ + ++* ++ peak 8150 Upper H THR 56 - QG2 THR 56 3.68 11 0.09 0.22 ++ +*+ + +++ ++ peak 1773 Upper HB THR 56 - HG2 GLU 60 4.22 12 0.47 1.31 + +++ +++ + ++ +* peak 2104 Upper QG2 THR 56 - H ALA 61 3.85 7 0.21 1.47 + * + +++ + peak 894 Upper QG2 THR 56 - QB ALA 61 3.54 12 0.40 1.37 +++ +* ++ + + +++ peak 1600 Upper QG2 THR 56 - HE21 GLN 64 4.51 6 0.05 0.39 + ++ + +* peak 919 Upper QG2 THR 56 - HE22 GLN 64 4.38 20 0.98 1.57 ++++++++++++++++*+++ peak 1770 Upper H GLY 57 - HE22 GLN 59 4.65 20 1.83 2.21 +++++++++++++++*++++ peak 399 Upper H GLY 57 - H GLU 60 5.50 12 0.18 0.44 + ++ ++++*++ ++ peak 398 Upper H GLY 57 - HG3 GLU 60 5.50 8 0.20 0.78 * ++ + ++ ++ peak 824 Upper HA2 GLY 57 - H GLN 59 4.09 15 0.64 1.08 +++ ++ ++++ *+++++ peak 831 Upper HA3 GLY 57 - H GLN 59 4.54 20 0.81 1.11 +++++++++*++++++++++ peak 170 Upper HA PRO 58 - H ALA 61 4.65 6 0.07 0.29 + *+ + + + peak 872 Upper HA PRO 58 - QB ALA 61 4.02 9 0.35 1.19 +++ *+ + + ++ peak 1605 Upper HA PRO 58 - HZ PHE 92 4.37 13 0.86 2.08 +++ ++* +++ ++++ peak 116 Upper HB2 PRO 58 - QE PHE 92 4.87 11 0.31 1.03 ++ ++ + +++ + +* peak 2170 Upper HB2 PRO 58 - HZ PHE 92 3.63 13 0.90 2.06 ++ ++++ +++ +++* peak 168 Upper HB2 PRO 58 - HA ALA 116 5.13 17 0.38 1.17 ++++++*++ + ++++++ + peak 2136 Upper HB2 PRO 58 - QG2 VAL 119 4.36 9 0.12 0.55 + +++ +++ + * peak 2131 Upper HB2 PRO 58 - HA ALA 416 4.33 20 1.26 2.04 ++++++++++++++++++*+ peak 8259 Upper HB3 PRO 58 - HE22 GLN 59 3.76 6 0.11 0.58 + + + +* + peak 8254 HE22 GLN 59 - HB3 PRO 358 Upper HB3 PRO 58 - HZ PHE 92 3.61 19 1.13 2.47 ++++++ ++*++++++++++ peak 170 Upper HB3 PRO 58 - QB ALA 116 3.23 20 1.12 1.62 +++++++++++++++++++* peak 1620 QB GLN 59 - QB ALA 116 Upper HB3 PRO 58 - QG1 VAL 119 4.38 18 0.82 1.98 +++++++*++++++ +++ + peak 2139 Upper HB3 PRO 58 - HA ALA 416 3.72 20 1.77 2.22 ++++++++++++++++++*+ peak 8252 Upper HB3 PRO 58 - QB ALA 416 3.94 12 0.26 0.60 +++ *+ +++ + +++ peak 8257 Upper HG2 PRO 58 - QE PHE 92 4.05 20 1.97 2.77 ++++*+++++++++++++++ peak 157 Upper HG2 PRO 58 - HA ALA 116 3.62 9 0.11 0.32 + *++ + + ++ + peak 3890 HG3 GLU 114 - HA ALA 115 HA ALA 116 - HB VAL 119 Upper HG2 PRO 58 - QB ALA 116 3.50 20 2.29 3.16 +++++++++++++++++++* peak 1621 Upper HG2 PRO 58 - QD1 ILE 400 3.84 14 0.33 0.78 +++ ++ ++++ *+ +++ peak 8117 Upper HG3 PRO 58 - QD1 ILE 400 3.84 7 0.23 0.95 ++ *+ ++ + peak 8116 Upper H GLN 59 - HG2 GLN 59 3.43 7 0.15 0.56 ++ ++ ++ * peak 835 Upper H GLN 59 - H ALA 61 4.75 7 0.17 0.71 +++ +* ++ peak 162 H ALA 61 - H GLN 359 Upper H GLN 59 - H LEU 362 4.76 20 1.69 2.19 ++++++++*+++++++++++ peak 161 Upper H GLN 59 - QD2 LEU 362 4.27 19 1.16 2.29 ++++++*++++++ ++++++ peak 8218 Upper HA GLN 59 - HB2 LEU 62 3.84 9 0.28 1.29 *+ + + +++++ peak 2198 Upper HA GLN 59 - H ALA 63 4.50 12 0.46 1.53 +++ ++ ++++ * + + peak 2216 Upper HA GLN 59 - QD2 LEU 362 3.40 14 0.50 1.42 ++++++*+ ++ + + ++ peak 8214 Upper QB GLN 59 - H LEU 362 4.02 6 0.80 2.91 +* ++ + + peak 881 Upper HG2 GLN 59 - QD2 LEU 362 4.69 10 0.38 1.40 + +++ * ++ + + + peak 2267 Upper HG3 GLN 59 - QD2 LEU 62 4.08 11 0.38 1.15 * +++ ++ ++ + + + peak 8211 HG3 GLN 59 - QD2 LEU 362 Upper HG3 GLN 59 - H LEU 362 4.45 13 0.46 1.25 ++++ ++ + ++ ++*+ peak 880 Upper HE21 GLN 59 - HB2 LEU 396 4.41 17 0.40 1.04 +++++++++++ +*+++ + peak 849 Upper HE21 GLN 59 - HB3 LEU 396 4.94 9 0.16 0.57 +++ ++ * ++ + peak 851 Upper HE21 GLN 59 - HD2 PRO 397 5.50 12 0.20 1.06 + ++ +++*+++ ++ peak 3428 HD2 PRO 97 - HE21 GLN 101 Upper HE22 GLN 59 - HA GLU 60 4.84 16 0.64 1.33 ++++ *+++++++++++ peak 868 Upper H GLU 60 - HG2 GLU 60 3.52 18 0.77 0.99 +++++++++ ++ *++++++ peak 860 Upper H GLU 60 - HA ALA 61 5.50 8 0.07 0.27 +++ +* + ++ peak 2256 Upper H GLU 60 - H LEU 62 4.12 16 0.35 0.76 ++++++ ++++ ++++*+ peak 175 Upper HB3 GLU 60 - HE21 GLN 64 4.27 17 0.85 1.55 +++++++ + ++ +*+++++ peak 916 Upper HG2 GLU 60 - H LEU 62 5.17 16 0.65 1.36 ++++++ ++ ++ +++*+ + peak 2244 Upper HG2 GLU 60 - H ALA 417 4.89 14 0.43 1.50 + ++++*++ + + ++++ peak 1290 Upper HG3 GLU 60 - HE21 GLN 64 3.61 15 0.44 2.01 ++ ++ +++*+ ++++ ++ peak 914 Upper H ALA 61 - QD2 LEU 62 5.22 8 0.19 0.85 +++ *+ + ++ peak 8217 H ALA 61 - QD2 LEU 362 Upper HA ALA 61 - HB2 GLN 64 4.19 20 0.95 1.87 +++*++++++++++++++++ peak 2330 Upper HA ALA 61 - HG2 GLN 64 4.84 7 0.37 1.79 + +* + + ++ peak 2329 Upper HA ALA 61 - HG3 GLN 64 3.84 17 0.60 2.59 ++++*+ ++ +++++++++ peak 2349 Upper HA ALA 61 - HE21 GLN 64 5.20 15 0.34 0.91 ++++++*+ + +++++ + peak 185 Upper HA ALA 61 - H LEU 65 4.64 17 0.43 1.31 +++*++++++++++ ++ + peak 207 Upper QB ALA 61 - QD2 LEU 62 4.07 16 0.60 1.19 +++++++++ +*++ + ++ peak 8209 QB ALA 61 - QD2 LEU 362 Upper QB ALA 61 - QD2 LEU 62 4.50 9 0.11 0.36 + ++ *++ + + + peak 1595 QD2 LEU 62 - QB ALA 361 Upper QB ALA 61 - HB2 LEU 65 4.14 20 1.71 2.36 +++*++++++++++++++++ peak 8142 Upper QB ALA 61 - HG LEU 65 4.22 16 0.64 1.18 + +++++++++*++ ++ + peak 1599 Upper QB ALA 61 - QD1 LEU 65 4.78 13 0.42 1.23 + + +*++++++ ++ + peak 1598 Upper QB ALA 61 - QD PHE 392 3.25 20 2.94 3.62 ++++++*+++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 20 1.94 2.47 +++++*++++++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 18 0.72 1.68 +++ +++*+++ ++++++++ peak 884 Upper H LEU 62 - HG2 GLN 64 5.50 20 0.72 1.40 ++++++++*+++++++++++ peak 879 Upper H LEU 62 - QB ALA 116 4.82 9 0.11 0.41 ++ + +* + +++ peak 1661 H LEU 62 - QB ALA 416 Upper H LEU 62 - H GLN 359 4.76 20 1.49 2.41 ++++++++++++++*+++++ peak 161 Upper H LEU 62 - QB GLN 359 4.02 8 1.11 3.20 +++ ++ + * + peak 881 Upper H LEU 62 - HG3 GLN 359 4.45 11 0.36 1.53 +++ ++ + + + * + + peak 880 Upper HB2 LEU 62 - H ALA 63 3.45 14 0.40 0.82 +++++++ + ++*+ + + peak 899 HB2 LEU 62 - H ALA 363 Upper HB2 LEU 62 - H ALA 116 5.22 20 2.17 4.18 ++++++++++++++*+++++ peak 2295 Upper HB3 LEU 62 - H ALA 63 3.57 20 0.90 1.04 *+++++++++++++++++++ peak 901 Upper HB3 LEU 62 - H LEU 89 4.50 20 1.79 2.99 ++++*+++++++++++++++ peak 2297 Upper HB3 LEU 62 - HA PRO 112 4.02 20 1.34 3.07 +++++++++++++++++*++ peak 1873 Upper HG LEU 62 - HG3 PRO 112 4.13 14 0.75 2.15 +++*++ +++ +++ + + peak 3779 Upper HG LEU 62 - HG2 GLU 113 5.06 20 1.27 1.73 +++*++++++++++++++++ peak 3840 HG LEU 62 - HG2 GLU 413 Upper QD1 LEU 62 - H GLU 113 5.15 10 0.24 0.78 +++ + + + *+++ peak 2307 Upper QD1 LEU 62 - HA GLU 113 4.94 14 0.40 1.19 +++ + + +++++*+++ peak 3837 Upper QD1 LEU 62 - HG2 GLU 113 5.50 10 0.19 0.58 +++ + + ++ + *+ peak 3832 QD1 LEU 62 - HG2 GLU 413 Upper QD1 LEU 62 - HG3 GLU 113 4.54 20 1.11 1.74 ++++++++++++*+++++++ peak 3835 QD1 LEU 62 - HG3 GLU 413 Upper QD1 LEU 62 - H ALA 115 4.79 20 1.77 2.31 ++++++++++*+++++++++ peak 1288 Upper QD1 LEU 62 - HA ALA 116 4.63 20 1.18 1.48 ++*+++++++++++++++++ peak 3885 Upper QD1 LEU 62 - QB ALA 116 3.84 8 0.15 0.60 +*+ ++ + + + peak 1619 Upper QD1 LEU 62 - H ALA 117 5.09 20 2.05 2.56 +*++++++++++++++++++ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.35 20 0.77 1.59 +++++++++++++++++++* peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.71 20 1.62 2.71 +++++++++++++++++*++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.17 20 0.99 1.71 +++++++++++++++++++* peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 20 1.16 2.02 +++++++++++++++++++* peak 8267 Upper QD2 LEU 62 - HB2 LEU 65 5.01 13 0.31 0.97 ++++ + +++ *++++ peak 2366 Upper QD2 LEU 62 - HB3 LEU 65 5.04 8 0.16 0.65 + + *+ + + ++ peak 2367 Upper QD2 LEU 62 - H LEU 89 4.33 18 0.66 2.04 +++++ ++++++++++*++ peak 2314 Upper QD2 LEU 62 - HA LEU 89 4.66 16 0.62 1.37 + +++ ++ +++++++*++ peak 3177 Upper QD2 LEU 62 - H GLN 91 5.15 12 0.20 0.47 * + + + ++++ ++++ peak 2312 H GLN 91 - QD2 LEU 362 Upper QD2 LEU 62 - QE PHE 92 3.90 12 0.41 1.18 ++ ++++ +++ + *+ peak 166 Upper QD2 LEU 62 - H LEU 93 5.00 14 0.44 0.97 +++ +++++ ++++ * + peak 1173 QD2 LEU 62 - H LEU 393 Upper QD2 LEU 62 - HA PRO 112 4.33 14 0.63 1.71 + +++*++ ++++ + ++ peak 3746 Upper QD2 LEU 62 - HG3 PRO 112 4.18 9 0.31 1.23 + ++ * + ++++ peak 3747 Upper QD2 LEU 62 - H GLU 113 4.73 19 0.97 1.74 +++++ +++++++++++*++ peak 2316 Upper QD2 LEU 62 - HG2 GLU 113 5.18 15 0.49 1.32 + + ++++++ +++*+++ peak 3833 QD2 LEU 62 - HG2 GLU 413 Upper QD2 LEU 62 - H GLN 359 4.27 20 1.52 2.12 ++++++++*+++++++++++ peak 8218 Upper QD2 LEU 62 - HA GLN 359 3.40 14 0.61 1.49 ++ ++ ++* +++ ++ ++ peak 8214 Upper QD2 LEU 62 - HG2 GLN 359 4.69 15 0.65 1.43 +++++++++ ++* + ++ peak 2267 Upper QD2 LEU 62 - QD PHE 392 3.39 20 0.79 1.27 +++++*++++++++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.80 20 1.12 1.74 +++++*++++++++++++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.97 20 1.19 1.84 ++++++++*+++++++++++ peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.14 20 1.42 1.99 ++++++++++++++++*+++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 4.00 20 1.91 2.68 ++++++++++++++++*+++ peak 8268 Upper H ALA 63 - HB2 PRO 412 4.06 9 0.11 0.36 + +++++ + + * peak 897 Upper HA ALA 63 - H ARG 66 3.72 7 0.14 0.63 + * + + + + + peak 213 HA GLN 64 - H ARG 66 Upper QB ALA 63 - HE22 GLN 64 5.42 7 0.20 1.17 +* ++ + + + peak 926 Upper H GLN 64 - HB3 LEU 65 5.50 20 0.81 1.05 ++++++++++++++++*+++ peak 2390 Upper H LEU 65 - HG2 GLU 67 5.50 10 0.16 0.56 +* + + + ++ +++ peak 2478 Upper HB2 LEU 65 - QG1 VAL 88 4.00 17 0.90 2.13 + +*++++ ++++++++++ peak 2365 Upper HB3 LEU 65 - QG1 VAL 88 4.72 6 0.09 0.81 + +* + ++ peak 2364 Upper QD1 LEU 65 - QG ARG 66 4.13 9 0.18 0.92 +* +++ +++ + peak 8283 Upper QD1 LEU 65 - HA GLN 91 4.57 18 0.77 1.86 +++ *++++++++++++++ peak 3219 Upper QD1 LEU 65 - HA PHE 92 3.38 14 0.73 1.67 * + ++++ ++++ ++++ peak 2394 Upper QD1 LEU 65 - HB2 PHE 92 4.16 15 0.82 1.62 +++ ++++ +* + +++++ peak 8286 Upper QD1 LEU 65 - QB ALA 95 4.03 16 0.70 1.43 *++ ++++ ++++ +++++ peak 8168 Upper QD1 LEU 65 - QG1 VAL 388 3.65 10 0.22 1.05 + ++*++ + + + + peak 8282 Upper QD1 LEU 65 - HG2 GLN 391 4.15 20 3.19 3.92 +++++++++++++++++++* peak 8284 Upper QD1 LEU 65 - QD PHE 392 3.30 20 2.23 3.12 +++++++++++++++++*++ peak 8289 Upper QD2 LEU 65 - H GLN 91 4.71 18 1.40 2.00 ++++ *+++++ ++++++++ peak 1153 Upper QD2 LEU 65 - HB3 PHE 92 4.23 17 0.72 1.44 ++++++++++ +++++*+ peak 2360 Upper QD2 LEU 65 - QD PHE 92 4.14 19 1.21 2.21 +++++++++++ +++++*++ peak 2402 Upper QD2 LEU 65 - QB ALA 95 3.89 16 0.55 1.13 +++*++ ++++ +++++ + peak 8295 Upper QD2 LEU 65 - HG3 GLN 391 3.85 20 3.75 4.50 +++++++++++*++++++++ peak 8294 Upper HA ARG 66 - HB3 CYS 69 4.63 6 0.13 0.64 *++ + + + peak 2541 Upper HA ARG 66 - QG1 VAL 88 5.10 14 0.24 0.64 ++ ++++++ ++++ +* peak 3845 Upper HA ARG 66 - QG2 VAL 88 3.02 8 0.11 0.61 + ++ + + *+ + peak 8234 Upper HA ARG 66 - QB LEU 384 4.22 19 0.75 1.75 +++++++*+++++++++++ peak 8248 Upper QB ARG 66 - QG1 VAL 88 3.19 20 1.35 2.05 ++++++++++++++++++*+ peak 3147 Upper QG ARG 66 - HG3 GLU 67 5.00 19 0.41 0.65 ++++++++++++++ ++*++ peak 2459 Upper H GLU 67 - QD2 LEU 87 4.55 20 1.56 2.16 ++*+++++++++++++++++ peak 956 Upper HA GLU 67 - QD2 LEU 373 5.23 12 0.27 0.77 ++ *++ ++ +++ + + peak 1785 Upper HG2 GLU 67 - HE21 GLN 71 4.06 18 0.36 0.57 ++++ ++++++*++++++ + peak 2473 Upper HB2 LEU 68 - H CYS 69 3.75 6 0.07 0.40 ++ + * + + peak 987 Upper QD2 LEU 68 - HG2 GLN 71 4.35 20 0.65 1.23 ++*+++++++++++++++++ peak 2507 Upper HA CYS 69 - HZ3 TRP 72 4.79 6 0.07 0.37 +++ + * + peak 213 Upper HA CYS 69 - HB3 LEU 73 5.50 11 0.12 0.27 + + +++ ++ +++* peak 2554 HA CYS 69 - QG2 VAL 88 Upper HB2 CYS 69 - HB3 LEU 73 4.57 7 0.09 0.42 ++ + *++ + peak 2563 HB2 CYS 69 - QD1 LEU 87 Upper HB2 CYS 69 - HB3 LEU 73 4.36 19 1.56 1.96 ++ ++++++++++++*++++ peak 2564 Upper HB2 CYS 69 - QG2 VAL 88 4.17 17 0.47 1.24 ++*+++ ++++++ +++++ peak 2561 Upper HB2 CYS 69 - QB LEU 384 5.17 18 0.74 1.63 ++++ +*++++++++++++ peak 3005 Upper HB3 CYS 69 - HB3 LEU 73 4.33 13 0.30 1.91 +++++* + + ++++ + peak 2562 Upper HB3 CYS 69 - QG2 VAL 88 4.23 20 0.91 1.47 +++++++++*++++++++++ peak 2557 Upper HA ARG 70 - HG2 ARG 70 3.74 9 0.12 0.35 + + + ++++ + * peak 1193 Upper HA ARG 70 - HD3 ARG 70 3.81 7 0.17 1.02 * + + + + ++ peak 1188 HD3 ARG 70 - HA ARG 370 Upper HA ARG 70 - H ARG 74 3.84 20 0.61 1.27 *+++++++++++++++++++ peak 314 Upper HA ARG 70 - QG ARG 74 5.22 19 0.49 1.05 ++ ++++*++++++++++++ peak 2655 Upper HG3 ARG 70 - HD2 PRO 375 4.55 12 0.54 1.61 + ++ *+ + +++++ + peak 2594 Upper HD2 ARG 70 - HA GLN 71 4.59 17 0.82 3.01 ++++++ *++++++ +++ + peak 2592 Upper HD2 ARG 70 - HH2 TRP 372 4.35 19 1.11 2.44 ++*+++++++++++++ +++ peak 184 Upper HD3 ARG 70 - H GLN 71 4.48 9 0.23 0.94 + + * ++ ++ + + peak 273 Upper HD3 ARG 70 - HH2 TRP 372 5.08 17 1.13 2.03 ++*++++ +++++ + ++++ peak 2602 Upper HD3 ARG 70 - H ARG 374 5.01 8 0.28 1.61 * + + ++ + ++ peak 2605 Upper HD3 ARG 70 - HD2 PRO 375 4.92 8 0.28 1.18 ++ + + + + *+ peak 2590 Upper H TRP 72 - QG1 VAL 377 4.08 20 2.85 3.48 +++++*++++++++++++++ peak 8204 Upper HB2 TRP 72 - H LEU 73 4.35 7 0.07 0.18 + + + + ++* peak 2646 Upper HB2 TRP 72 - HB3 LEU 73 5.50 12 0.13 0.38 + ++*++ +++ ++ + peak 2636 Upper HB2 TRP 72 - H ARG 74 5.50 20 0.89 1.60 +++++*++++++++++++++ peak 2647 Upper HB3 TRP 72 - HB3 LEU 73 5.50 14 0.23 0.83 + +++*+++ +++ ++ + peak 2634 Upper HE3 TRP 72 - QD1 LEU 87 4.42 6 0.09 0.47 + ++ +* + peak 3094 Upper HE3 TRP 72 - QD2 LEU 387 4.19 20 1.14 1.66 +++++++*++++++++++++ peak 8228 Upper HE1 TRP 72 - HB3 LEU 73 5.01 6 0.08 0.42 + +++ + * peak 255 HE1 TRP 72 - HB3 LEU 86 Upper HE1 TRP 72 - QD2 LEU 73 5.50 19 0.62 0.97 *++++ ++++++++++++++ peak 1791 Upper HE1 TRP 72 - HA LEU 87 5.31 14 0.38 0.83 ++ ++++ + ++ + *++ + peak 250 Upper HZ2 TRP 72 - HB3 LEU 73 3.85 18 0.31 0.66 ++ ++*++++ +++++++++ peak 192 HZ2 TRP 72 - QD2 LEU 87 QD2 LEU 87 - HZ2 TRP 372 Upper HZ2 TRP 72 - QD2 LEU 73 3.99 18 0.41 0.81 *++++++++ +++++ ++++ peak 198 Upper HZ2 TRP 72 - QD2 LEU 387 3.94 20 2.44 2.98 +++++++*++++++++++++ peak 8227 Upper HH2 TRP 72 - HD2 ARG 370 4.35 20 1.08 2.29 ++++++++*+++++++++++ peak 184 Upper HH2 TRP 72 - HD3 ARG 370 5.08 16 0.87 1.82 +++*+ ++ + ++++ ++++ peak 2602 Upper H LEU 73 - HD2 PRO 75 4.79 20 1.29 1.71 ++*+++++++++++++++++ peak 2707 Upper H LEU 73 - HD3 PRO 75 5.50 10 0.15 0.66 +*+ + + ++++ + peak 2703 Upper HB2 LEU 73 - H MET 83 4.91 20 0.57 1.12 ++++++++++*+++++++++ peak 1076 Upper HB3 LEU 73 - HD3 PRO 75 5.50 19 0.31 0.76 +++++ +++*++++++++++ peak 2681 Upper HG LEU 73 - QE MET 83 2.71 20 1.23 2.38 ++++++++++++++++*+++ peak 8122 Upper HG LEU 73 - QD2 LEU 387 3.11 20 1.70 2.40 ++++++++++++++++++*+ peak 8229 Upper QD1 LEU 73 - QE MET 83 3.70 11 0.31 0.72 +++ ++ +*+++ + peak 1635 Upper QD1 LEU 73 - HA LEU 84 4.39 6 0.11 0.56 ++ + *+ + peak 8279 HA LEU 84 - QD1 LEU 373 Upper QD1 LEU 73 - HG LEU 84 3.89 20 1.37 2.12 +++++++++*++++++++++ peak 2993 QD1 LEU 73 - HG LEU 384 Upper QD1 LEU 73 - QD1 LEU 84 2.74 20 1.52 2.79 ++++++++++++*+++++++ peak 2997 Upper QD1 LEU 73 - H LEU 87 4.80 20 1.24 1.54 ++++++++++++*+++++++ peak 1103 Upper QD1 LEU 73 - HB2 LEU 87 5.50 17 0.42 0.94 ++ ++++++ +*+++ ++++ peak 3130 Upper QD1 LEU 73 - QD1 LEU 87 2.92 11 0.27 0.89 + +++++ +++ *+ peak 3115 Upper QD1 LEU 73 - QG1 VAL 377 3.02 20 1.95 2.43 +++++++++++++++*++++ peak 8196 Upper QD1 LEU 73 - QD1 LEU 384 2.73 20 1.50 2.36 +++++++++++++++++++* peak 8312 Upper QD1 LEU 73 - HG LEU 387 3.40 20 1.60 2.40 +++++++*++++++++++++ peak 8278 Upper QD1 LEU 73 - QD1 LEU 387 3.02 20 0.97 1.33 +++++++++*++++++++++ peak 8270 Upper QD1 LEU 73 - QD2 LEU 387 3.53 7 0.16 0.72 ++++ + + * peak 8280 Upper QD2 LEU 73 - H MET 83 5.50 12 0.33 0.96 + ++++* +++ ++ + peak 1072 Upper QD2 LEU 73 - HA MET 83 3.96 15 0.65 1.25 ++ ++++++ +*++ ++ + peak 1784 Upper QD2 LEU 73 - HG2 MET 83 5.50 6 0.16 0.83 + ++ *+ + peak 2949 Upper QD2 LEU 73 - HG3 MET 83 5.00 8 0.25 0.82 + *+++ + + + peak 2956 Upper QD2 LEU 73 - QE MET 83 3.35 10 0.19 0.64 + +*++ + +++ + peak 1782 QD2 LEU 73 - QB LEU 84 QB LEU 84 - QD2 LEU 373 Upper QD2 LEU 73 - QE MET 83 3.74 18 0.61 1.19 *++++++ + ++++++++++ peak 2937 Upper QD2 LEU 73 - QD1 LEU 84 3.47 6 0.12 0.68 ++*+ + + peak 3067 QD2 LEU 73 - QD1 LEU 384 Upper QD2 LEU 73 - HB3 LEU 86 4.07 20 1.24 1.87 *+++++++++++++++++++ peak 3065 Upper QD2 LEU 73 - HA GLU 367 5.23 13 0.24 0.73 ++++ +++ *++ + + + peak 1785 Upper QD2 LEU 73 - QD1 LEU 384 3.83 20 1.13 1.95 +++++++++*++++++++++ peak 3067 Upper QD2 LEU 73 - QD2 LEU 386 3.93 20 2.16 2.83 ++*+++++++++++++++++ peak 8187 Upper QD2 LEU 73 - QD1 LEU 387 3.74 6 0.08 0.61 + + ++* + peak 8186 Upper H ARG 74 - QG2 VAL 77 4.73 7 0.33 1.22 + + * ++ + + peak 1739 Upper HA PRO 75 - HB2 LYS 80 3.45 17 0.50 1.00 ++++ ++++ ++ ++++*++ peak 2692 Upper HA PRO 75 - QD1 LEU 84 3.95 6 0.12 0.65 + + + +* + peak 3007 Upper QB PRO 75 - HB2 LYS 80 3.06 8 0.13 0.59 + + + * ++ ++ peak 2696 Upper QB PRO 75 - QD LYS 80 4.42 6 0.11 0.63 * + + ++ + peak 2879 Upper QB PRO 75 - HE2 LYS 80 5.50 8 0.10 0.26 + +++ + * + + peak 2874 Upper HD2 PRO 75 - H ARG 78 5.50 6 0.06 0.24 + +*++ + peak 301 H ARG 78 - HB3 SER 79 Upper HD2 PRO 75 - QD1 LEU 84 4.93 16 0.56 1.20 +++++ +* ++ +++ ++++ peak 2683 Upper HD2 PRO 75 - HG3 ARG 370 4.55 15 0.61 1.71 *++++ ++ +++++ +++ peak 2594 Upper HD2 PRO 75 - HD3 ARG 370 4.92 6 0.19 0.97 * ++ + + + peak 2590 Upper HD3 PRO 75 - QD1 LEU 84 3.96 12 0.30 0.94 + + +* ++ +++ + ++ peak 2680 Upper H GLU 76 - QG2 VAL 77 4.24 16 0.34 0.84 + +++++ +++++ *++++ peak 1741 H GLU 76 - QG2 VAL 377 Upper H GLU 76 - QD1 LEU 84 5.50 14 0.37 0.92 ++++ ++ + +++ *+++ peak 1008 Upper HA GLU 76 - HG3 GLU 76 3.96 11 0.14 0.26 + ++ + ++++ *++ peak 2747 Upper QB GLU 76 - QG2 VAL 377 3.61 14 0.29 0.84 + +++ ++ + +++ + ++* peak 1731 Upper HG2 GLU 76 - QG1 VAL 77 3.10 6 0.18 0.81 +++ ++ * peak 2779 HG2 GLU 76 - QG1 VAL 377 Upper HG3 GLU 76 - H VAL 77 4.74 14 0.29 0.94 ++ +++ +++++++* + peak 2755 Upper H VAL 77 - HG3 ARG 78 5.50 16 0.13 0.23 +*++ ++ +++++++ +++ peak 2832 Upper HB VAL 77 - H ARG 78 4.36 7 0.07 0.18 ++ + ++ * + peak 1024 Upper HB VAL 77 - HB3 ARG 78 4.22 13 0.33 0.74 +++ *+ + ++++ + ++ peak 2776 Upper HB VAL 77 - QE MET 83 3.66 18 0.86 1.76 +++++*+++ +++++ ++++ peak 2775 Upper QG1 VAL 77 - H TRP 372 4.08 20 2.97 3.37 +*++++++++++++++++++ peak 8204 Upper QG1 VAL 77 - QD1 LEU 373 3.02 20 1.88 2.37 +++++++++++++++++*++ peak 8196 Upper QG2 VAL 77 - HB3 ARG 78 3.38 7 0.24 0.95 + + + ++ + * peak 1729 Upper QG2 VAL 77 - HG2 ARG 78 3.99 8 0.12 0.49 + + ++ + * + + peak 2817 Upper QG2 VAL 77 - H SER 79 5.50 7 0.16 0.66 + + + *+ + + peak 2766 Upper QG2 VAL 77 - QB GLU 376 3.61 15 0.42 0.97 + + ++++ +*+++++ ++ peak 1731 Upper H ARG 78 - HD2 ARG 78 5.16 9 0.11 0.35 * ++ +++ + ++ peak 1020 Upper HB3 ARG 78 - HG2 MET 83 4.98 12 0.24 1.02 ++++ * +++++ + + peak 2946 Upper HB2 LYS 80 - HE2 LYS 80 4.48 6 0.07 0.25 + + * ++ + peak 2868 Upper HB2 LYS 80 - HE3 LYS 80 4.53 9 0.09 0.26 + + + *+ +++ + peak 2864 Upper HB3 LYS 80 - H GLN 82 4.22 16 0.26 0.56 +++++ ++ +*++ +++++ peak 1060 Upper H GLU 81 - QE MET 83 5.50 18 0.80 1.59 +++++++++ *++++ ++++ peak 1649 Upper HA GLU 81 - H LEU 84 4.17 15 0.40 0.98 ++ ++++++ +++*+++ peak 2917 Upper H GLN 82 - HG2 MET 83 5.38 12 0.32 0.99 +*+ ++ ++++++ + peak 2982 Upper HA GLN 82 - H GLU 85 4.20 12 0.16 0.51 +*+++++ +++++ peak 385 Upper H MET 83 - HG2 MET 83 3.39 12 0.36 0.91 +*+ ++ ++++++ + peak 1068 Upper HG2 MET 83 - QD1 LEU 84 3.84 18 0.94 2.13 +++++++*++++++++ ++ peak 3002 Upper H LEU 84 - QD1 LEU 87 4.69 10 0.47 1.27 ++ *+ ++++++ peak 3097 Upper HA LEU 84 - QD1 LEU 87 3.38 9 0.22 0.77 ++ *+ ++ +++ peak 3123 Upper QB LEU 84 - QD1 LEU 87 3.12 16 0.41 1.17 ++ +++++++ +*+++++ peak 3117 QB LEU 84 - QD1 LEU 387 Upper QB LEU 84 - H VAL 88 5.50 9 0.32 1.09 *++++ +++ + peak 3015 Upper QB LEU 84 - HA ARG 366 4.22 18 0.55 1.21 ++ ++*+++++++ ++++++ peak 8248 Upper QB LEU 84 - HB2 CYS 369 5.17 18 0.71 1.60 +++++ ++++ ++++*++++ peak 3005 Upper QB LEU 84 - QD2 LEU 386 3.74 20 3.80 4.32 ++++*+++++++++++++++ peak 2998 Upper QD1 LEU 84 - H LEU 86 5.42 8 0.21 0.80 + ++*++ + + peak 3023 Upper QD1 LEU 84 - QD1 LEU 373 2.73 20 1.65 2.49 *+++++++++++++++++++ peak 8312 Upper QD1 LEU 84 - QD2 LEU 373 3.83 20 0.99 2.32 +++++++++*++++++++++ peak 3067 Upper H GLU 85 - HB3 LEU 86 5.50 9 0.24 0.82 + ++ + + *+++ peak 1088 Upper HA GLU 85 - H VAL 88 4.03 17 0.60 1.07 ++++++ ++++ ++++++* peak 372 Upper HG2 GLU 85 - QD2 LEU 86 4.90 7 0.08 0.37 + ++ + *++ peak 3031 Upper HG3 GLU 85 - QD1 LEU 86 4.80 7 0.13 0.50 + +++ * + + peak 3057 Upper H LEU 86 - HG LEU 86 3.96 8 0.10 0.31 + + +++ + * + peak 3075 Upper H LEU 86 - QD1 LEU 86 3.74 11 0.22 0.46 + + +++++ *++ + peak 3080 Upper H LEU 86 - QD2 LEU 87 4.56 20 0.78 1.10 +++++++++++*++++++++ peak 1097 Upper HA LEU 86 - QD2 LEU 86 2.87 20 0.72 0.80 ++++++++++++*+++++++ peak 827 Upper HA LEU 86 - H LEU 89 4.95 7 0.14 0.68 + + * + + + + peak 3088 Upper QD2 LEU 86 - QD2 LEU 373 3.93 20 1.99 3.02 +++++++++*++++++++++ peak 8187 Upper QD2 LEU 86 - QB LEU 384 3.74 20 3.85 4.37 +++++++++++*++++++++ peak 2998 Upper H LEU 87 - QD1 LEU 87 3.48 9 0.14 0.48 ++ +* ++ +++ peak 1104 Upper HA LEU 87 - QD2 LEU 87 3.16 20 0.61 0.65 +++++++++++++*++++++ peak 847 Upper HA LEU 87 - H GLU 90 4.32 20 1.63 2.08 ++++++++++*+++++++++ peak 407 Upper HA LEU 87 - QB GLU 90 5.50 18 0.63 1.16 ++++++++ *+++++++++ peak 3204 Upper HG LEU 87 - H VAL 88 3.78 20 0.90 1.28 +++++++++*++++++++++ peak 1118 Upper HG LEU 87 - QD1 LEU 373 3.40 20 1.75 2.71 +++++++++++++++*++++ peak 8278 Upper QD1 LEU 87 - QD1 LEU 373 3.02 20 1.11 1.59 ++*+++++++++++++++++ peak 8270 Upper QD1 LEU 87 - QD2 LEU 373 3.74 6 0.12 0.72 + ++ ++ * peak 8186 Upper QD2 LEU 87 - HE3 TRP 372 4.19 20 1.26 1.61 +++++++++*++++++++++ peak 8228 Upper QD2 LEU 87 - HZ2 TRP 372 3.94 20 2.64 3.21 +*++++++++++++++++++ peak 8227 Upper QD2 LEU 87 - HG LEU 373 3.11 20 1.65 2.17 +++++++*++++++++++++ peak 8229 Upper QD2 LEU 87 - QD1 LEU 373 3.53 12 0.24 0.75 + +++++ + + +++ * peak 8280 Upper HB VAL 88 - H LEU 89 3.24 10 0.45 1.05 + +* + + + ++ ++ peak 1130 Upper QG1 VAL 88 - HA PRO 112 4.37 14 0.29 1.53 ++ + ++ + ++ +++++ * peak 3743 Upper QG1 VAL 88 - QD1 LEU 362 3.35 20 0.90 1.63 +*++++++++++++++++++ peak 8300 Upper QG1 VAL 88 - QD1 LEU 365 3.65 10 0.18 0.81 + + * ++++ ++ + peak 8282 Upper QG2 VAL 88 - HG2 PRO 112 3.71 20 1.30 2.20 ++++++++++++++++*+++ peak 8232 Upper H LEU 89 - HB2 PHE 92 5.50 9 0.18 0.66 +++ +* + + + + peak 473 Upper HA LEU 89 - HB2 PHE 92 4.25 7 0.12 0.55 ++ +* ++ + peak 3168 Upper HA LEU 89 - QD PHE 92 5.31 10 0.31 1.06 *++ ++ + + ++ + peak 3192 Upper HG LEU 89 - H GLU 90 4.67 6 0.18 0.77 + * + +++ peak 1145 Upper QD1 LEU 89 - HA2 GLY 110 5.50 10 0.17 0.60 ++ + + * ++ + + + peak 3713 Upper QD1 LEU 89 - H SER 111 5.35 8 0.14 0.56 *+ + + + +++ peak 3194 Upper QD2 LEU 89 - HB2 PHE 92 4.78 9 0.18 0.60 +++ *++ ++ + peak 3185 Upper QD2 LEU 89 - QD PHE 92 5.21 17 0.47 1.02 *++ +++++ +++ ++++++ peak 3200 Upper QD2 LEU 89 - H SER 111 4.59 10 0.23 0.71 + ++ * + ++ ++ + peak 3199 Upper QD2 LEU 89 - HA PRO 112 4.01 18 0.72 1.10 +++++++ + +++++++*++ peak 3744 Upper QD2 LEU 89 - HB3 PRO 112 4.30 17 0.30 0.85 *+++ ++++++++ +++++ peak 3795 Upper QD2 LEU 89 - QB ALA 115 4.84 18 0.47 0.84 +++++++ + ++*+++++++ peak 1680 Upper QB GLU 90 - H PHE 92 5.50 7 0.11 0.45 *++ + + + + peak 1164 Upper HA GLN 91 - HA2 GLY 94 4.01 20 1.81 2.43 +++++*++++++++++++++ peak 3220 Upper HA GLN 91 - H ALA 95 5.50 20 0.78 1.21 +++++*++++++++++++++ peak 1860 Upper HG2 GLN 91 - QD1 LEU 365 4.15 20 2.97 4.21 +++++++++++++++++++* peak 8284 Upper HG3 GLN 91 - QD2 LEU 365 3.85 20 3.67 4.53 +++++++++*++++++++++ peak 8294 Upper HA PHE 92 - HB2 LEU 93 5.50 7 0.07 0.24 + + * + +++ peak 3277 Upper QD PHE 92 - HG LEU 93 4.60 20 0.70 1.00 ++++++++++*+++++++++ peak 3284 Upper QD PHE 92 - QD1 LEU 93 5.16 20 0.27 0.40 +++++++++*++++++++++ peak 3296 Upper QD PHE 92 - QB ALA 361 3.25 20 2.64 3.42 +++++++*++++++++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.39 20 0.88 1.36 +++++++*++++++++++++ peak 8215 Upper QD PHE 92 - QD1 LEU 365 3.30 20 2.16 2.65 +++++*++++++++++++++ peak 8289 Upper QE PHE 92 - QD2 LEU 93 3.36 20 1.04 1.36 ++++++++++*+++++++++ peak 164 Upper QE PHE 92 - H VAL 119 5.50 18 0.47 0.90 ++++++* +++++++++ ++ peak 131 Upper QE PHE 92 - QB ALA 361 3.19 20 1.76 2.34 ++++++++++++++++*+++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.80 19 1.01 1.75 +++++++* +++++++++++ peak 8216 Upper HZ PHE 92 - QB ALA 115 4.21 8 0.12 0.44 +++ ++ + + * peak 178 Upper HZ PHE 92 - HA ALA 116 3.47 8 0.17 0.69 +++ *+ + + + peak 117 Upper HZ PHE 92 - H VAL 119 5.50 17 0.57 1.15 ++*+++++++++ ++++ + peak 627 Upper HZ PHE 92 - HB VAL 119 4.66 20 0.99 1.76 +++*++++++++++++++++ peak 3966 Upper HZ PHE 92 - QG2 VAL 119 3.75 20 0.92 1.39 +++++++++*++++++++++ peak 181 Upper HZ PHE 92 - QD1 LEU 362 3.71 20 1.85 2.87 +++++++++++++++++*++ peak 8306 Upper H LEU 93 - QD1 LEU 93 4.43 7 0.06 0.22 ++ + + + + * peak 3300 Upper H LEU 93 - HA2 GLY 94 5.50 10 0.09 0.21 +++ + + + ++* + peak 3305 Upper H LEU 93 - HA3 GLY 94 5.50 17 0.18 0.27 +++++++ +++++ ++*+ + peak 3309 Upper H LEU 93 - QD1 LEU 96 5.50 11 0.12 0.32 + ++ ++* +++++ peak 3357 Upper HA LEU 93 - QD2 LEU 96 5.50 14 0.48 1.01 ++ ++ +++ *++++++ peak 3260 Upper HB2 LEU 93 - QD1 LEU 96 5.50 20 0.68 1.20 +++++*++++++++++++++ peak 3258 Upper HB3 LEU 93 - HE21 GLN 101 5.50 18 0.38 0.72 +++++++++ +++++*+++ peak 1199 Upper QD1 LEU 93 - H GLY 94 4.17 18 0.38 0.75 +++++++++++* ++ ++++ peak 1179 Upper QD1 LEU 93 - H GLN 105 5.50 18 0.40 0.87 + +++ +++++++++++*++ peak 3301 Upper QD1 LEU 93 - HA GLN 105 4.26 10 0.12 0.33 + +++ ++ +++* peak 3279 Upper QD1 LEU 93 - HG3 PRO 109 4.33 10 0.20 1.03 +++ ++ + + +* + peak 3270 Upper QD2 LEU 93 - H VAL 104 4.70 7 0.08 0.38 ++ * + ++ + peak 3293 QD2 LEU 93 - H ALA 115 Upper H GLY 94 - QD1 LEU 96 5.50 14 0.22 0.66 ++ *+ ++++ ++++++ peak 1181 Upper H GLY 94 - HG2 GLN 101 5.10 18 0.33 0.76 ++++++ +++++++*++++ peak 1174 Upper H ALA 95 - QD1 LEU 96 4.56 9 0.16 0.74 + *+ ++ ++ ++ peak 1113 Upper QB ALA 95 - QD PHE 350 3.02 20 5.21 5.47 +++++++++++++++*++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.34 20 3.99 4.35 *+++++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 4.18 20 2.72 3.34 +++++++++++*++++++++ peak 2059 Upper QB ALA 95 - QD TYR 352 3.68 20 2.96 3.63 +++++++++++++++*++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 20 2.78 3.56 ++++++++++++++++*+++ peak 8176 Upper H LEU 96 - HG LEU 96 3.38 11 0.52 1.61 + ++ + +*+ ++ ++ peak 1185 Upper H LEU 96 - HA GLN 101 4.86 20 0.79 1.00 +++++*++++++++++++++ peak 462 Upper HB2 LEU 96 - HE21 GLN 359 4.41 17 0.33 0.83 *+++++++ ++ +++++++ peak 849 Upper HB3 LEU 96 - HE21 GLN 359 4.94 7 0.13 0.56 + + ++ *+ + peak 851 Upper HG LEU 96 - QG2 VAL 119 3.82 16 0.59 1.39 +++ + ++++++++*+++ peak 3956 Upper QD1 LEU 96 - H ILE 100 4.55 20 0.95 1.70 +++*++++++++++++++++ peak 234 Upper QD1 LEU 96 - HE22 GLN 101 5.50 18 0.40 0.63 ++ ++*+++ ++++++++++ peak 1209 Upper QD2 LEU 96 - HB3 GLN 101 5.50 10 0.14 0.33 +++ ++++ ++ * peak 4064 Upper QD2 LEU 96 - QB TYR 352 4.18 20 2.06 2.70 +++++++++++*++++++++ peak 8179 Upper QD2 LEU 96 - QD TYR 352 3.70 20 1.65 2.40 +++++++++++++++*++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.90 18 0.84 1.66 +++++++++++++ *++++ peak 8182 Upper HB2 PRO 97 - QG2 ILE 100 4.17 16 0.20 0.40 + ++++++++++*+ + ++ peak 3396 HB2 PRO 97 - QD1 ILE 100 Upper HD2 PRO 97 - HE21 GLN 359 5.50 13 0.20 1.07 +++ ++++ *+ ++ + + peak 3428 HD2 PRO 397 - HE21 GLN 401 Upper HD3 PRO 97 - H ILE 100 3.41 7 0.06 0.18 *+ + ++ ++ peak 240 H ARG 103 - QD ARG 103 Upper HA PRO 98 - HE21 GLN 101 5.50 18 0.34 0.52 ++ ++++ ++++*+++++++ peak 3436 Upper HA PRO 98 - HE22 GLN 101 5.50 12 0.15 0.58 + ++ ++*+++ ++ + peak 478 Upper HB ILE 100 - H GLN 101 3.23 16 0.26 0.63 +++ ++ ++*+ + ++++++ peak 1136 Upper HG12 ILE 100 - QG1 VAL 119 3.90 6 0.10 0.53 *+ + ++ + peak 3953 Upper QD1 ILE 100 - HA ARG 123 5.50 7 0.07 0.29 +++ + +* + peak 3484 Upper QD1 ILE 100 - QD TYR 352 4.11 20 2.04 2.48 ++++++++++++*+++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.73 20 1.06 1.68 ++++++++++++*+++++++ peak 8114 Upper QD1 ILE 100 - HG2 PRO 358 3.84 12 0.28 0.68 ++ +++ +++ +*++ peak 8117 Upper QD1 ILE 100 - HG3 PRO 358 3.84 10 0.31 0.85 *++ ++ ++ ++ + peak 8116 Upper HA GLN 101 - HE22 GLN 101 5.50 18 0.38 0.46 +++++++++ ++++++*++ peak 477 Upper HG3 GLN 101 - H ARG 103 5.50 9 0.11 0.37 +++ + *+++ + peak 4102 Upper QB ALA 102 - HE21 GLN 105 5.50 6 0.08 0.28 + ++ + *+ peak 1223 Upper H ARG 103 - HG2 ARG 103 3.06 6 0.06 0.28 + + * + ++ peak 235 Upper H ARG 103 - HB VAL 104 5.50 13 0.31 0.53 ++ +++* + +++ +++ peak 3442 Upper HA VAL 104 - QG GLN 107 4.62 6 0.07 0.32 * + +++ + peak 3588 Upper HA VAL 104 - QD2 LEU 118 3.96 20 0.35 0.84 ++++++++++*+++++++++ peak 3938 Upper QQG VAL 104 - H GLN 107 4.21 6 0.08 0.34 + + + + * + peak 1235 Upper QQG VAL 104 - HA LEU 118 3.90 18 0.23 0.51 +++++++ ++++*++++++ peak 3578 Upper HG2 PRO 109 - H SER 111 3.10 14 0.39 0.73 ++++ ++ * +++++++ peak 1260 H SER 111 - QB GLU 114 Upper HG2 PRO 109 - HA ALA 115 3.45 9 0.16 0.54 ++ *+ + + ++ + peak 3889 Upper HG3 PRO 109 - H ALA 115 5.23 6 0.09 0.46 * + + + ++ peak 3698 Upper HG3 PRO 109 - HA ALA 115 4.26 6 0.07 0.51 + + *+ + + peak 3887 Upper HD2 PRO 109 - QB ALA 115 4.98 7 0.11 0.49 * + + + +++ peak 1686 Upper H GLY 110 - H ALA 115 5.50 16 0.34 0.80 + +++*++++++ +++++ peak 540 Upper HA2 GLY 110 - HB3 SER 111 4.61 7 0.09 0.39 * + +++ ++ peak 3722 Upper H SER 111 - QB GLU 114 4.00 11 0.33 1.18 ++* ++ + ++ ++ + peak 3857 Upper HA PRO 112 - HG3 GLU 114 4.85 7 0.25 0.89 *++ + ++ + peak 3741 Upper HB2 PRO 112 - QD1 LEU 362 4.17 20 1.05 1.93 ++++++++++++++++*+++ peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.97 20 1.27 2.09 +++++++++++++*++++++ peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.32 20 1.14 1.69 +++++++++*++++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.14 20 1.46 1.99 ++++++++++++++++++*+ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 4.00 20 2.05 2.88 ++++++++++++++++++*+ peak 8268 Upper HG2 GLU 113 - QB ALA 116 5.50 14 0.35 0.89 +*++ ++ + + +++++ + peak 3838 Upper HG3 GLU 113 - QB ALA 116 4.51 20 1.11 1.60 +++*++++++++++++++++ peak 3839 Upper H GLU 114 - HG2 GLU 114 3.42 6 0.15 0.79 +* + + + + peak 1276 Upper H GLU 114 - QD2 LEU 118 5.50 12 0.19 0.47 ++++ ++ + + ++ *+ peak 1278 Upper QB GLU 114 - H ALA 116 5.50 8 0.08 0.26 + + + + +* ++ peak 3860 Upper HG3 GLU 114 - QD1 LEU 118 3.60 15 0.64 1.27 + + +++++*++ ++ ++ + peak 3876 HG3 GLU 114 - QD2 LEU 118 Upper H ALA 116 - HG LEU 118 4.72 11 0.13 0.33 ++ +++ + * ++++ peak 974 Upper HA ALA 116 - HB VAL 119 3.56 17 0.57 0.92 + ++++++ *+++++++++ peak 3960 Upper HA ALA 116 - HB2 PRO 358 4.33 20 1.35 2.02 ++++++++++++*+++++++ peak 8259 Upper HA ALA 116 - HB3 PRO 358 3.72 20 1.72 2.27 ++++++++++++++++*+++ peak 8252 Upper QB ALA 116 - HB3 PRO 358 3.94 8 0.18 0.68 + +* +++ ++ peak 8257 Upper H ALA 117 - HG2 GLU 360 4.89 15 0.43 1.05 + + +*+++ + +++ ++++ peak 1290 Upper QB ALA 117 - HB2 ASP 120 4.40 18 0.41 0.71 ++* ++++++++++++ +++ peak 1490 Upper QB ALA 117 - HB3 ASP 120 4.32 17 0.50 1.28 ++++ *+++ +++++++++ peak 1487 Upper H LEU 118 - QG2 VAL 119 4.50 19 0.64 1.17 *+++++++++ +++++++++ peak 8191 Upper HA LEU 118 - HG LEU 122 5.29 9 0.15 0.62 *+ ++ ++ ++ + peak 4004 Upper HB VAL 119 - H ASP 120 4.09 9 0.10 0.21 + *+ + + +++ + peak 805 Upper HA LEU 122 - QD2 LEU 122 2.84 9 0.25 0.64 ++* + + ++ ++ peak 565 Upper H ARG 123 - HG2 ARG 123 3.19 13 0.19 0.52 +++++ *+ ++ + +++ peak 1301 Upper HA ARG 123 - HG2 ARG 123 3.47 7 0.08 0.27 + +* + ++ + peak 4034 Upper HA ARG 123 - QD ARG 123 3.93 9 0.12 0.38 ++*+ + + ++ + peak 1235 Upper H ARG 124 - HB3 GLU 125 4.49 6 0.08 0.47 + *++ + + peak 1337 Upper H ALA 342 - H ARG 344 4.24 13 0.12 0.25 ++ *++ + +++++++ peak 579 Upper QB ALA 343 - QB GLN 371 4.33 7 0.10 0.52 +*++ + + + peak 1628 Upper QB ALA 343 - HB3 TRP 372 4.15 7 0.08 0.37 *++ +++ + peak 2633 Upper QB ALA 343 - HD1 TRP 372 3.78 11 0.13 0.60 ++ *++ ++++ ++ peak 1651 Upper QB ALA 343 - HE3 TRP 372 4.53 20 0.66 1.03 +++++++*++++++++++++ peak 125 Upper H ARG 344 - H ARG 346 4.70 17 0.18 0.34 ++ ++ ++++++*++++++ peak 127 Upper H ARG 344 - HB3 TRP 372 5.50 18 0.44 0.80 +++++ *++++++++++++ peak 2643 Upper HA ARG 344 - H ARG 346 4.72 7 0.07 0.19 +* + +++ + peak 663 Upper HA ARG 344 - HZ PHE 347 5.19 20 0.48 0.94 +*++++++++++++++++++ peak 1842 Upper H LEU 345 - HG LEU 345 3.23 15 0.35 0.80 + +++++ + + +*+++++ peak 686 Upper QD2 LEU 345 - H ARG 348 4.88 17 0.30 0.60 +* + + +++++++++++++ peak 748 Upper HA PHE 347 - QD2 LEU 365 4.58 20 0.99 1.73 ++++++++++++++*+++++ peak 2379 Upper HB2 PHE 347 - QD2 LEU 368 3.41 20 0.58 0.89 +++++++++++++++++++* peak 2483 Upper HB3 PHE 347 - QD2 LEU 368 4.47 13 0.41 0.74 ++ +++ +++++++* peak 2508 Upper QD PHE 347 - QD2 LEU 368 4.83 10 0.17 0.47 + * ++ + ++ +++ peak 2530 Upper QD PHE 347 - QG2 VAL 388 4.17 20 0.80 1.15 +++++*++++++++++++++ peak 3165 Upper QE PHE 347 - QD2 LEU 362 5.32 11 0.20 0.68 + + ++++++ *++ peak 2310 QD2 LEU 62 - QE PHE 347 Upper QE PHE 347 - HG LEU 365 3.76 16 0.42 0.87 +++++ +++*+ +++ ++ + peak 317 Upper QE PHE 347 - HB2 LEU 368 5.15 9 0.12 0.37 + + + ++++*+ peak 2520 H GLU 367 - HB2 LEU 368 Upper QE PHE 347 - HG LEU 368 5.50 12 0.25 0.66 ++ ++ +++++++* peak 2527 H GLU 367 - HG LEU 368 Upper QE PHE 347 - H CYS 369 4.55 6 0.10 0.48 * + + + + + peak 91 Upper QE PHE 347 - H GLU 390 4.61 11 0.29 0.91 ++ ++++ * + +++ peak 402 Upper HZ PHE 347 - QD1 LEU 365 4.03 16 0.94 2.18 +++ +++++++++++ *+ peak 292 Upper HZ PHE 347 - QD2 LEU 365 4.17 11 0.80 1.95 +++ +* ++++ + + peak 291 Upper HZ PHE 347 - HB3 LEU 387 5.50 14 0.31 0.93 + ++ ++ ++ *++ + +++ peak 3103 Upper H PHE 350 - QD2 LEU 365 4.28 20 1.15 1.73 +++++++++++++++*++++ peak 779 Upper HA PHE 350 - HB3 HIS 351 5.50 20 0.14 0.21 +++++++++*++++++++++ peak 2038 Upper HA PHE 350 - QD2 LEU 365 5.50 16 0.60 1.49 +++++ + + + +++*++++ peak 2035 Upper HB2 PHE 350 - QB ALA 395 4.71 7 0.13 1.50 + + + + * ++ peak 1714 Upper HB3 PHE 350 - QD1 LEU 365 5.50 6 0.06 0.28 ++ *+ + + peak 2010 Upper HB3 PHE 350 - QD2 LEU 365 4.33 8 0.13 0.59 +++ + + + *+ peak 2011 Upper HB3 PHE 350 - QB ALA 395 4.79 19 1.27 1.73 +++++*+++++++++ ++++ peak 2008 Upper QD PHE 350 - QB ALA 361 3.66 7 0.09 0.35 +++ + * + + peak 277 Upper QD PHE 350 - HB3 GLN 364 3.90 17 0.51 0.79 ++++++++++*+++ + + + peak 276 Upper QD PHE 350 - QD1 LEU 365 3.56 9 0.36 1.14 +++ +* +++ + peak 284 Upper QD PHE 350 - QD1 LEU 368 3.16 20 1.12 1.56 ++++++++*+++++++++++ peak 279 Upper QD PHE 350 - HA PHE 392 4.37 19 0.60 1.11 ++++++ ++++++++*++++ peak 3240 Upper QD PHE 350 - QB ALA 395 3.01 20 1.36 1.81 +++++*++++++++++++++ peak 278 Upper QE PHE 350 - QB TYR 352 5.06 20 1.10 1.72 +++++++++++*++++++++ peak 262 Upper QE PHE 350 - H GLU 353 5.50 19 0.91 1.57 ++++++*++++++++ ++++ peak 797 Upper QE PHE 350 - QG GLU 353 5.50 9 0.27 0.94 +++ +* + +++ peak 2090 Upper QE PHE 350 - QB ALA 361 3.28 20 0.85 1.17 +++*++++++++++++++++ peak 266 Upper QE PHE 350 - HB2 GLN 364 3.86 8 0.18 0.81 +++ + + * + + peak 264 Upper QE PHE 350 - HG LEU 365 5.07 6 0.17 0.77 + + ++ * + peak 270 Upper QE PHE 350 - QD1 LEU 365 4.99 7 0.20 0.92 *+ ++ + + + peak 271 Upper QE PHE 350 - QD2 LEU 365 4.12 10 0.30 1.06 +++ + + + ++ +* peak 272 Upper QE PHE 350 - QD1 LEU 368 3.94 20 1.15 1.64 ++++++++++++++++++*+ peak 269 Upper QE PHE 350 - QB ALA 395 3.87 20 1.01 1.47 +++++*++++++++++++++ peak 267 QE PHE 50 - QB ALA 395 Upper QE PHE 350 - QB ALA 395 3.86 20 1.10 1.62 +++++*++++++++++++++ peak 1723 Upper H HIS 351 - HB2 GLN 364 5.12 20 1.09 1.94 +++++++*++++++++++++ peak 786 Upper HA HIS 351 - QB ALA 395 3.68 9 0.12 0.39 ++ ++ + *+ + + peak 1718 Upper HB2 HIS 351 - QB ALA 395 5.20 20 0.50 0.85 +++++++++*++++++++++ peak 2051 Upper HB3 HIS 351 - QB ALA 395 3.77 20 1.65 1.96 +++++++++++*++++++++ peak 8174 Upper HA TYR 352 - QB ALA 395 3.96 20 0.42 0.98 ++++++++++++*+++++++ peak 8166 Upper QD TYR 352 - H ALA 361 4.86 18 0.56 1.34 ++++ +++++++ +++++*+ peak 870 Upper QD TYR 352 - HB3 LEU 396 3.49 11 0.19 0.59 ++++ *++ + + + + peak 249 QD TYR 352 - QD1 ILE 400 Upper QD TYR 352 - QD1 LEU 396 4.32 16 0.44 1.15 +++++ ++++++++ +*+ peak 251 Upper QE TYR 352 - QG GLU 354 3.21 14 0.37 0.80 *++ +++ + + +++ +++ peak 231 Upper QE TYR 352 - HA PRO 358 3.34 13 0.30 0.71 +++ +* ++ ++++++ peak 46 Upper QE TYR 352 - HB3 PRO 358 3.38 16 0.54 1.15 +++ ++*+ ++++ ++ +++ peak 232 Upper QE TYR 352 - HB3 LEU 396 3.42 8 0.10 0.33 *+ +++ + + + peak 237 QE TYR 352 - QD1 ILE 400 Upper QE TYR 352 - QD1 LEU 396 5.42 16 0.43 1.09 +++++ +*++++++ +++ peak 239 Upper QE TYR 352 - HD3 PRO 397 4.22 9 0.08 0.37 +*+ ++ ++ + + peak 228 Upper QE TYR 352 - QG2 VAL 419 3.49 16 0.53 1.44 ++ + ++++++++ +*+++ peak 238 Upper QE TYR 352 - QD ARG 423 5.50 11 0.16 0.50 ++*++ + ++ + ++ peak 4040 Upper QG GLU 353 - QB ALA 355 3.62 17 0.75 1.21 + +++++++++ ++ ++*++ peak 2077 Upper QG GLU 353 - H GLY 357 4.13 6 0.12 0.62 * + + + + + peak 823 Upper QG GLU 353 - HD2 PRO 397 5.50 14 0.35 0.79 ++ ++++ + +++++*+ peak 2085 Upper HA GLU 354 - H GLY 357 3.90 18 0.40 0.88 ++++++++* ++++ +++++ peak 821 Upper QB ALA 355 - HB THR 356 4.40 6 0.16 0.87 + +* ++ + peak 8150 Upper HB THR 356 - HG2 GLU 360 4.22 10 0.45 1.27 +*++ ++ + + + + peak 2104 Upper HB THR 356 - HG3 GLU 360 5.43 7 0.13 0.51 ++ +* +++ peak 2105 Upper QG2 THR 356 - H ALA 361 3.85 7 0.21 0.89 ++ + + +*+ peak 894 Upper QG2 THR 356 - QB ALA 361 3.54 10 0.30 0.92 +++ ++ + + * ++ peak 1600 Upper QG2 THR 356 - HE21 GLN 364 4.51 8 0.17 0.74 ++ + + + ++* peak 919 Upper QG2 THR 356 - HE22 GLN 364 4.38 20 1.06 1.87 +++++++++++++++++++* peak 1770 Upper H GLY 357 - HE22 GLN 359 4.65 20 1.79 2.09 ++++++++++++++++++*+ peak 399 Upper H GLY 357 - H GLU 360 5.50 12 0.15 0.46 + + + + +*++ ++++ peak 398 Upper H GLY 357 - HG3 GLU 360 5.50 13 0.37 0.84 ++ ++ ++ +++ +++* peak 824 Upper HA2 GLY 357 - H GLN 359 4.09 12 0.57 1.03 ++ +*+ +++ ++++ peak 831 Upper HA3 GLY 357 - H GLN 359 4.54 20 0.78 1.22 +++++++++++*++++++++ peak 170 Upper HA PRO 358 - QB ALA 361 4.02 7 0.26 0.96 ++ +* + + + peak 1605 Upper HA PRO 358 - HZ PHE 392 4.37 14 1.08 2.18 +++ ++ ++*+ ++ +++ peak 116 Upper HB2 PRO 358 - QE PHE 392 4.87 15 0.43 1.13 +++ ++++ +++* + +++ peak 2170 Upper HB2 PRO 358 - HZ PHE 392 3.63 16 1.19 2.47 +++ ++++ ++*+ ++ +++ peak 168 Upper HB2 PRO 358 - HA ALA 416 5.13 17 0.34 0.92 ++ ++++*++++ ++ ++++ peak 2136 Upper HB2 PRO 358 - QG2 VAL 419 4.36 8 0.12 0.40 +*+ ++ + + + peak 2131 Upper HB3 PRO 358 - HZ PHE 392 3.61 18 1.07 1.61 ++++ ++ ++*+++++++++ peak 170 Upper HB3 PRO 358 - QB ALA 416 3.23 20 1.04 1.49 ++++++*+++++++++++++ peak 1620 QB GLN 359 - QB ALA 416 Upper HB3 PRO 358 - QG1 VAL 419 4.38 17 0.92 2.03 +++++++ ++*++++ +++ peak 2139 Upper HG2 PRO 358 - QE PHE 392 4.05 20 2.14 2.79 ++*+++++++++++++++++ peak 157 Upper HG2 PRO 358 - HA ALA 416 3.62 13 0.16 0.33 ++ +++* ++ + ++ + + peak 3890 HG3 GLU 414 - HA ALA 415 HA ALA 416 - HB VAL 419 Upper HG2 PRO 358 - QB ALA 416 3.50 20 2.12 2.88 +++++++++++++*++++++ peak 1621 Upper H GLN 359 - HG2 GLN 359 3.43 8 0.21 0.71 +*+ ++ + + + peak 835 Upper H GLN 359 - H ALA 361 4.75 6 0.12 0.59 *+ ++ + + peak 162 H GLN 59 - H ALA 361 Upper HA GLN 359 - HB2 LEU 362 3.84 8 0.26 1.37 * + + + +++ + peak 2198 Upper HA GLN 359 - H ALA 363 4.50 11 0.44 1.39 ++ ++ ++* ++++ peak 2216 Upper HG3 GLN 359 - QD2 LEU 362 4.08 16 0.57 1.30 +++++++++ ++*+ + ++ peak 8211 QD2 LEU 62 - HG3 GLN 359 Upper HG3 GLN 359 - QB ALA 416 4.01 6 0.10 0.70 + + * + + + peak 2205 HG3 GLN 59 - QB ALA 416 Upper HE22 GLN 359 - HA GLU 360 4.84 17 0.80 1.49 +++ ++ ++*+++++++++ peak 868 Upper H GLU 360 - HG2 GLU 360 3.52 18 0.77 1.18 ++++++++*++ ++ +++++ peak 860 Upper H GLU 360 - HA ALA 361 5.50 6 0.05 0.21 ++ *+ + + peak 2256 Upper H GLU 360 - H LEU 362 4.12 17 0.40 0.75 *++++++++ +++++ +++ peak 175 Upper HB3 GLU 360 - HE21 GLN 364 4.27 16 0.84 2.01 ++++++ +++ ++ +++*+ peak 916 Upper HG2 GLU 360 - H LEU 362 5.17 18 0.87 1.41 +++++++++++ ++++ ++* peak 2244 Upper HG3 GLU 360 - HE21 GLN 364 3.61 12 0.40 1.92 ++++++ + ++* ++ peak 914 Upper HA ALA 361 - HB2 GLN 364 4.19 19 1.04 1.78 *+++++++++++++++ +++ peak 2330 Upper HA ALA 361 - HG2 GLN 364 4.84 11 0.47 1.37 +++ ++ ++ + * + + peak 2329 Upper HA ALA 361 - HG3 GLN 364 3.84 19 0.79 1.95 +++++++++++ ++++++*+ peak 2349 Upper HA ALA 361 - HE21 GLN 364 5.20 13 0.36 1.01 ++++ ++ + * +++ + + peak 185 Upper HA ALA 361 - H LEU 365 4.64 13 0.50 1.84 ++* +++ ++++++ + peak 207 Upper QB ALA 361 - QD2 LEU 362 4.50 6 0.11 0.53 + ++ +* + peak 1595 QB ALA 61 - QD2 LEU 362 Upper QB ALA 361 - QD2 LEU 362 4.07 11 0.38 1.07 + +++ ++ *+ + + + peak 8209 QD2 LEU 62 - QB ALA 361 Upper QB ALA 361 - HB2 LEU 365 4.14 20 1.55 2.88 ++*+++++++++++++++++ peak 8142 Upper QB ALA 361 - HG LEU 365 4.22 12 0.49 1.42 +++ +++ +++* + + peak 1599 Upper QB ALA 361 - QD1 LEU 365 4.78 11 0.31 1.22 +++ ++ + +++* + peak 1598 Upper H LEU 362 - HG LEU 362 3.15 17 0.70 1.71 +++++*+++ ++ ++++++ peak 884 Upper H LEU 362 - HG2 GLN 364 5.50 19 0.61 1.41 ++ ++++++*++++++++++ peak 879 Upper H LEU 362 - QB ALA 416 4.82 12 0.14 0.37 * + ++ ++++++ ++ peak 1661 QB ALA 116 - H LEU 362 Upper HA LEU 362 - QD2 LEU 362 3.35 6 0.10 0.43 +++ + *+ peak 779 Upper HB2 LEU 362 - H ALA 363 3.45 9 0.22 0.90 + ++ ++ + *+ + peak 899 H ALA 63 - HB2 LEU 362 Upper HB2 LEU 362 - H ALA 416 5.22 20 2.75 3.83 +++++++++++++*++++++ peak 2295 Upper HB3 LEU 362 - H ALA 363 3.57 17 0.74 1.04 + +*+++++++++ +++++ peak 901 Upper HB3 LEU 362 - H LEU 389 4.50 20 1.59 3.18 +++++++++*++++++++++ peak 2297 Upper HB3 LEU 362 - HA PRO 412 4.02 20 2.01 3.49 ++++++++*+++++++++++ peak 1873 Upper HG LEU 362 - HG3 PRO 412 4.13 15 0.96 2.89 +++++ ++ +*++ ++ ++ peak 3779 Upper HG LEU 362 - HG2 GLU 413 5.06 20 1.51 2.32 ++++++++++++++++++*+ peak 3840 HG2 GLU 113 - HG LEU 362 Upper QD1 LEU 362 - H GLU 413 5.15 8 0.33 1.91 +++ + *++ + peak 2307 Upper QD1 LEU 362 - HA GLU 413 4.94 10 0.37 1.83 +++ + ++ *++ + peak 3837 Upper QD1 LEU 362 - HG2 GLU 413 5.50 7 0.19 0.91 ++ + * ++ + peak 3832 HG2 GLU 113 - QD1 LEU 362 Upper QD1 LEU 362 - HG3 GLU 413 4.54 20 1.10 2.06 ++++++++++*+++++++++ peak 3835 HG3 GLU 113 - QD1 LEU 362 Upper QD1 LEU 362 - H ALA 415 4.79 20 1.61 2.78 ++++++++++++*+++++++ peak 1288 Upper QD1 LEU 362 - HA ALA 416 4.63 20 1.09 1.61 +++++++++++++*++++++ peak 3885 Upper QD1 LEU 362 - QB ALA 416 3.84 10 0.15 0.78 ++++ ++ ++* + peak 1619 Upper QD1 LEU 362 - H ALA 417 5.09 20 1.96 2.70 +++++++++++++*++++++ peak 1299 Upper QD2 LEU 362 - HB2 LEU 365 5.01 11 0.29 1.42 + +++ ++ +++*+ peak 2366 Upper QD2 LEU 362 - HB3 LEU 365 5.04 9 0.28 1.02 + + ++ *++ ++ peak 2367 Upper QD2 LEU 362 - H ARG 366 5.50 7 0.17 0.62 + + + + * ++ peak 948 Upper QD2 LEU 362 - H VAL 388 5.13 10 0.56 1.78 + + +++ ++ *++ peak 1124 Upper QD2 LEU 362 - QG2 VAL 388 3.77 7 0.14 0.54 + + * + +++ peak 3148 Upper QD2 LEU 362 - H LEU 389 4.33 17 0.79 2.04 +++ +++ ++++++++ *++ peak 2314 Upper QD2 LEU 362 - HA LEU 389 4.66 14 0.55 1.73 +++++++++ *++++ peak 3177 Upper QD2 LEU 362 - H GLN 391 5.15 11 0.18 0.86 + +++ ++ + *+++ peak 2312 QD2 LEU 62 - H GLN 391 Upper QD2 LEU 362 - QE PHE 392 3.90 7 0.22 0.97 ++ ++ * + + peak 166 Upper QD2 LEU 362 - H LEU 393 5.00 8 0.28 1.00 ++ ++ *+ + + peak 1173 H LEU 93 - QD2 LEU 362 Upper QD2 LEU 362 - HA PRO 412 4.33 10 0.45 1.63 ++ +++++ + * + peak 3746 Upper QD2 LEU 362 - HG3 PRO 412 4.18 10 0.46 1.76 ++ + ++ +++*+ peak 3747 Upper QD2 LEU 362 - H GLU 413 4.73 18 0.95 1.75 +++++++++++++ ++++* peak 2316 Upper QD2 LEU 362 - HG2 GLU 413 5.18 14 0.59 1.26 +++++++++ ++*++ peak 3833 HG2 GLU 113 - QD2 LEU 362 Upper HA ALA 363 - H ARG 366 3.72 9 0.22 1.01 + ++ ++ ++ + * peak 213 HA GLN 364 - H ARG 366 Upper QB ALA 363 - HE22 GLN 364 5.42 11 0.24 0.90 +++ ++ ++ + + + * peak 926 Upper H GLN 364 - HB3 LEU 365 5.50 20 0.78 1.12 +++++++++++++++*++++ peak 2390 Upper H LEU 365 - HG2 GLU 367 5.50 15 0.19 0.47 + ++ +++ ++*+++ + ++ peak 2478 Upper HB2 LEU 365 - QG1 VAL 388 4.00 19 0.91 1.78 ++++* ++++++++++++++ peak 2365 Upper HB3 LEU 365 - QG1 VAL 388 4.72 6 0.08 0.58 ++ + + + * peak 2364 Upper QD1 LEU 365 - HA GLN 391 4.57 19 1.21 2.28 ++++++++++++++*++++ peak 3219 Upper QD1 LEU 365 - H PHE 392 4.40 8 0.20 0.98 + + + + ++ *+ peak 2401 Upper QD1 LEU 365 - HA PHE 392 3.38 17 1.04 1.77 ++++ +++++++++*+ ++ peak 2394 Upper QD1 LEU 365 - HB2 PHE 392 4.16 18 0.69 1.50 +++++++++ +++++++*+ peak 8286 Upper QD1 LEU 365 - QB ALA 395 4.03 19 0.81 1.44 +++++*+++++++++++++ peak 8168 Upper QD2 LEU 365 - H GLN 391 4.71 9 0.71 2.05 +*+ ++ + + + + peak 1153 Upper QD2 LEU 365 - HB3 PHE 392 4.23 14 0.64 1.55 ++++++ ++ + +++*+ peak 2360 Upper QD2 LEU 365 - QD PHE 392 4.14 14 0.90 1.76 ++++++ ++ + +++*+ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.89 14 0.72 2.04 ++++++ ++ + +++*+ peak 8295 Upper HA ARG 366 - QG1 VAL 388 5.10 15 0.29 0.89 +++++ ++ *+++ ++++ peak 3845 Upper QB ARG 366 - QG1 VAL 388 3.19 20 1.39 2.22 +++++++++++++*++++++ peak 3147 Upper QG ARG 366 - HG3 GLU 367 5.00 19 0.54 1.10 +++++ +++++++++++++* peak 2459 Upper QG ARG 366 - QG1 VAL 388 3.73 7 0.15 0.76 + + *+++ + peak 8198 QG1 VAL 88 - QG ARG 366 Upper H GLU 367 - QD2 LEU 387 4.55 20 1.49 2.36 ++++++++++*+++++++++ peak 956 Upper HA GLU 367 - HG3 ARG 370 5.50 7 0.14 0.72 ++++ * + + peak 2596 Upper HG2 GLU 367 - HE21 GLN 371 4.06 19 0.31 0.51 ++++*++++++ ++++++++ peak 2473 Upper QD2 LEU 368 - HG2 GLN 371 4.35 19 0.56 1.28 ++++++++++ *++++++++ peak 2507 Upper HA CYS 369 - HB3 TRP 372 5.50 7 0.12 0.52 +++* ++ + peak 2637 Upper HA CYS 369 - HZ3 TRP 372 4.79 6 0.06 0.36 + + + + +* peak 213 Upper HA CYS 369 - HB3 LEU 373 5.50 11 0.19 0.55 +* + + + ++++ ++ peak 2554 HA CYS 369 - QG2 VAL 388 Upper HB2 CYS 369 - HB3 LEU 373 4.36 18 1.59 2.30 ++++++++++ ++ ++*+++ peak 2564 Upper HB2 CYS 369 - QG2 VAL 388 4.17 20 0.54 1.30 +++++++++++++*++++++ peak 2561 Upper HB3 CYS 369 - HB3 LEU 373 4.33 13 0.30 1.82 + + + +++++*+++ + peak 2562 Upper HB3 CYS 369 - QG2 VAL 388 4.23 20 1.01 1.58 +++++++++++++++*++++ peak 2557 Upper H ARG 370 - HG2 ARG 370 4.54 7 0.07 0.30 * ++ ++++ peak 2607 Upper HA ARG 370 - HG2 ARG 370 3.74 6 0.09 0.32 + ++* ++ peak 1193 Upper HA ARG 370 - HD3 ARG 370 3.81 6 0.14 0.82 ++++* + peak 1188 HA ARG 70 - HD3 ARG 370 Upper HA ARG 370 - H ARG 374 3.84 20 0.65 1.12 ++++++++++*+++++++++ peak 314 Upper HA ARG 370 - QG ARG 374 5.22 20 0.53 1.11 ++++++++++*+++++++++ peak 2655 Upper HD2 ARG 370 - HA GLN 371 4.59 19 0.61 1.13 ++++*+++ +++++++++++ peak 2592 Upper HD3 ARG 370 - H GLN 371 4.48 11 0.36 1.22 +*+++++ + ++ + peak 273 Upper H TRP 372 - HA ARG 374 5.50 7 0.08 0.34 +++ * + + + peak 2671 Upper HB2 TRP 372 - H LEU 373 4.35 7 0.07 0.21 + ++* + + + peak 2646 Upper HB2 TRP 372 - HB3 LEU 373 5.50 15 0.22 0.51 +* ++++++ ++++++ + peak 2636 Upper HB2 TRP 372 - H ARG 374 5.50 20 1.00 1.64 +++*++++++++++++++++ peak 2647 Upper HB3 TRP 372 - HB3 LEU 373 5.50 15 0.32 0.73 ++ ++++++ +++++* + peak 2634 Upper HE1 TRP 372 - HB3 LEU 373 5.01 7 0.09 0.40 + + + ++ + * peak 255 HE1 TRP 372 - HB3 LEU 386 Upper HE1 TRP 372 - QD2 LEU 373 5.50 20 0.63 1.67 +++++++*++++++++++++ peak 1791 Upper HE1 TRP 372 - HA LEU 387 5.31 18 0.64 1.29 +*++++ ++++++++++++ peak 250 Upper HZ2 TRP 372 - HB3 LEU 373 3.85 19 0.32 0.60 +++ +++*++++++++++++ peak 192 HZ2 TRP 372 - QD2 LEU 387 HZ2 TRP 72 - QD2 LEU 387 Upper HZ2 TRP 372 - QD2 LEU 373 3.99 19 0.44 1.56 +++ +++*++++++++++++ peak 198 Upper HZ2 TRP 372 - HA LEU 386 4.79 11 0.22 0.98 +++ * + + +++ ++ peak 138 Upper HH2 TRP 372 - QD2 LEU 387 3.92 6 0.09 0.59 * + + ++ + peak 3090 QD2 LEU 87 - HH2 TRP 372 Upper H LEU 373 - HD2 PRO 375 4.79 20 1.23 1.92 +++*++++++++++++++++ peak 2707 Upper H LEU 373 - HD3 PRO 375 5.50 10 0.15 0.66 + +* ++ + +++ + peak 2703 Upper HB2 LEU 373 - H MET 383 4.91 19 0.55 1.34 ++ +*+++++++++++++++ peak 1076 Upper HB3 LEU 373 - HD3 PRO 375 5.50 11 0.19 0.59 + +++*+ + ++ + + peak 2681 Upper HB3 LEU 373 - HG3 MET 383 5.05 8 0.16 0.87 + + + + ++ + * peak 1898 Upper HG LEU 373 - QE MET 383 2.71 20 1.55 2.38 +++++*++++++++++++++ peak 8122 Upper HG LEU 373 - QE MET 383 4.34 9 0.19 0.68 + + * + +++ ++ peak 1912 HG LEU 373 - QB LEU 384 Upper QD1 LEU 373 - QE MET 383 3.70 7 0.20 0.81 + +* ++ + + peak 1635 Upper QD1 LEU 373 - HG LEU 384 3.89 20 1.36 1.87 ++++++++*+++++++++++ peak 2993 HG LEU 84 - QD1 LEU 373 Upper QD1 LEU 373 - QD1 LEU 384 2.74 20 1.19 2.54 ++++++*+++++++++++++ peak 2997 Upper QD1 LEU 373 - H LEU 387 4.80 20 1.31 1.64 ++++++++++++*+++++++ peak 1103 Upper QD1 LEU 373 - HB2 LEU 387 5.50 16 0.43 1.04 + ++*+ + ++++++++++ peak 3130 Upper QD1 LEU 373 - QD1 LEU 387 2.92 13 0.32 0.86 + ++++ + +++*++ + peak 3115 Upper QD2 LEU 373 - H MET 383 5.50 13 0.37 1.10 ++ +*++ ++++++ + peak 1072 Upper QD2 LEU 373 - HA MET 383 3.96 20 0.82 1.30 +++++++++++++*++++++ peak 1784 Upper QD2 LEU 373 - HG2 MET 383 5.50 7 0.14 0.71 ++* + + + + peak 2949 Upper QD2 LEU 373 - HG3 MET 383 5.00 11 0.33 1.26 + ++ + + +* ++++ peak 2956 Upper QD2 LEU 373 - QE MET 383 3.35 12 0.29 0.97 ++ + ++ + *++ ++ + peak 1782 QD2 LEU 373 - QB LEU 384 QD2 LEU 73 - QB LEU 384 Upper QD2 LEU 373 - QE MET 383 3.74 17 0.68 1.25 ++++ ++++++++* +++ + peak 2937 Upper QD2 LEU 373 - QD1 LEU 384 3.47 10 0.18 0.69 * ++ +++ ++++ peak 3067 QD1 LEU 84 - QD2 LEU 373 Upper QD2 LEU 373 - H LEU 386 5.14 6 0.13 0.52 * ++ + + + peak 1786 Upper QD2 LEU 373 - HB3 LEU 386 4.07 20 1.46 2.24 ++++++++++++++*+++++ peak 3065 Upper H ARG 374 - QG2 VAL 377 4.73 8 0.49 1.56 + ++ + +++ * peak 1739 Upper HA PRO 375 - HB2 LYS 380 3.45 18 0.45 1.20 ++*+++++++++ ++++ ++ peak 2692 Upper QB PRO 375 - HB2 LYS 380 3.06 8 0.16 0.88 + + *+++ + + peak 2696 Upper QB PRO 375 - HE2 LYS 380 5.50 8 0.10 0.39 + * + ++ + + + peak 2874 Upper HD2 PRO 375 - QD1 LEU 384 4.93 13 0.42 1.12 ++ + ++ + *++ ++ + + peak 2683 Upper HD3 PRO 375 - QD1 LEU 384 3.96 10 0.23 0.87 + ++ + *++ + + + peak 2680 Upper H GLU 376 - QG2 VAL 377 4.24 20 0.43 0.90 +*++++++++++++++++++ peak 1741 QG2 VAL 77 - H GLU 376 Upper H GLU 376 - QD1 LEU 384 5.50 9 0.23 0.76 + ++ * ++ + + + peak 1008 Upper HA GLU 376 - HG3 GLU 376 3.96 13 0.15 0.26 + + +++++ ++*+++ peak 2747 Upper HG2 GLU 376 - QG1 VAL 377 3.10 7 0.22 0.92 +++++ + * peak 2779 QG1 VAL 77 - HG2 GLU 376 Upper HG3 GLU 376 - H VAL 377 4.74 10 0.20 0.77 ++*+++ ++++ peak 2755 Upper H VAL 377 - HG3 ARG 378 5.50 14 0.15 0.34 + +*+ + ++ +++++++ peak 2832 Upper HB VAL 377 - HB3 ARG 378 4.22 12 0.33 0.82 + ++ +* +++ +++ + peak 2776 Upper HB VAL 377 - QE MET 383 3.66 19 0.94 1.90 *++++ ++++++++++++++ peak 2775 Upper QG2 VAL 377 - HB3 ARG 378 3.38 8 0.34 1.06 + ++ + +++ * peak 1729 Upper QG2 VAL 377 - HG2 ARG 378 3.99 7 0.10 0.47 + + ++ ++ * peak 2817 Upper QG2 VAL 377 - H SER 379 5.50 8 0.19 0.71 + +* + +++ + peak 2766 Upper HB3 ARG 378 - HG2 MET 383 4.98 8 0.15 0.72 + + +*+ ++ + peak 2946 Upper HB3 ARG 378 - HG3 MET 383 5.37 6 0.09 0.32 * + ++++ peak 2953 Upper H LYS 380 - QE MET 383 5.07 6 0.13 0.63 + + +* ++ peak 1650 Upper HB2 LYS 380 - HE2 LYS 380 4.48 6 0.08 0.29 ++ + + +* peak 2868 Upper HB2 LYS 380 - HE3 LYS 380 4.53 8 0.06 0.29 ++ +* + + ++ peak 2864 Upper HB3 LYS 380 - H GLN 382 4.22 15 0.23 0.70 ++ ++++ * +++ ++ +++ peak 1060 Upper H GLU 381 - QE MET 383 5.50 18 0.85 1.83 +++++++++++++* +++ + peak 1649 Upper HA GLU 381 - H LEU 384 4.17 15 0.37 0.92 ++ ++ ++++* ++++++ peak 2917 Upper H GLN 382 - HG2 MET 383 5.38 8 0.20 0.84 + * +++ ++ + peak 2982 Upper HA GLN 382 - H GLU 385 4.20 12 0.21 0.72 +++ + + +++*+++ peak 385 Upper H MET 383 - HG2 MET 383 3.39 9 0.22 0.78 + + +*+ ++ + + peak 1068 Upper HA MET 383 - QE MET 383 4.45 7 0.08 0.39 + +++ ++* peak 1640 Upper HB3 MET 383 - QD1 LEU 384 4.60 6 0.11 0.60 + ++ ++* peak 2962 Upper HG2 MET 383 - QD1 LEU 384 3.84 19 0.69 1.56 ++++++++ ++++++*++++ peak 3002 Upper H LEU 384 - QD1 LEU 387 4.69 12 0.53 1.28 ++ + +++ +*++++ peak 3097 Upper HA LEU 384 - QD1 LEU 387 3.38 10 0.25 0.86 + + ++ +*++++ peak 3123 Upper QB LEU 384 - QD1 LEU 387 3.12 14 0.56 1.65 +++* ++++ ++++++ peak 3117 QD1 LEU 87 - QB LEU 384 Upper QB LEU 384 - H VAL 388 5.50 13 0.40 1.05 +++++ + + +++ ++ * peak 3015 Upper HG LEU 384 - H GLU 385 4.14 8 0.24 1.25 + ++ *+ + ++ peak 3021 Upper QD1 LEU 384 - H LEU 386 5.42 8 0.22 0.83 + + +* ++++ peak 3023 Upper H GLU 385 - HB3 LEU 386 5.50 7 0.16 0.76 ++ + + + +* peak 1088 Upper HA GLU 385 - H VAL 388 4.03 19 0.79 1.22 +++++++++++ +++++++* peak 372 Upper HG3 GLU 385 - QD1 LEU 386 4.80 8 0.10 0.41 + ++ * + + + + peak 3057 Upper H LEU 386 - HG LEU 386 3.96 11 0.14 0.59 ++ +* ++ + ++ ++ peak 3075 Upper H LEU 386 - QD1 LEU 386 3.74 9 0.19 0.53 ++ ++ + + + + * peak 3080 Upper H LEU 386 - QD2 LEU 387 4.56 20 0.95 1.25 ++++++++++++++++++*+ peak 1097 Upper HA LEU 386 - QD1 LEU 386 3.99 6 0.04 0.14 * + + ++ + peak 825 Upper HA LEU 386 - QD2 LEU 386 2.87 20 0.64 0.80 ++++++*+++++++++++++ peak 827 Upper H LEU 387 - QD1 LEU 387 3.48 7 0.11 0.47 * + ++++ + peak 1104 Upper HA LEU 387 - QD2 LEU 387 3.16 19 0.53 0.64 +++ +++++++++++*++++ peak 847 Upper HA LEU 387 - H GLU 390 4.32 20 1.69 2.16 +++++++++++++++*++++ peak 407 Upper HA LEU 387 - QB GLU 390 5.50 16 0.53 1.34 + +*+++++ ++++++++ peak 3204 Upper HG LEU 387 - H VAL 388 3.78 20 0.83 1.08 +++++*++++++++++++++ peak 1118 Upper HB VAL 388 - H LEU 389 3.24 13 0.57 1.07 +++++ + ++++ + *+ peak 1130 Upper QG1 VAL 388 - HA PRO 412 4.37 11 0.27 1.01 + ++ ++++ ++ *+ peak 3743 Upper QG2 VAL 388 - HG2 PRO 412 3.71 20 1.40 2.28 *+++++++++++++++++++ peak 8232 Upper HA LEU 389 - HB2 PHE 392 4.25 6 0.11 0.57 + * ++ + + peak 3168 Upper HA LEU 389 - QD PHE 392 5.31 7 0.20 1.06 ++ *+ + ++ peak 3192 Upper QD1 LEU 389 - HA2 GLY 410 5.50 8 0.15 0.64 * +++ ++ ++ peak 3713 Upper QD1 LEU 389 - H SER 411 5.35 7 0.11 0.63 + + *+ + ++ peak 3194 Upper QD2 LEU 389 - HB2 PHE 392 4.78 13 0.28 0.93 *+ ++ ++++ +++++ peak 3185 Upper QD2 LEU 389 - QD PHE 392 5.21 10 0.34 1.31 + +++ *+ ++ ++ peak 3200 Upper QD2 LEU 389 - H SER 411 4.59 7 0.17 0.59 + *+ ++ ++ peak 3199 Upper QD2 LEU 389 - HA PRO 412 4.01 12 0.45 0.96 * ++ +++ ++++++ peak 3744 Upper QD2 LEU 389 - HB3 PRO 412 4.30 10 0.12 0.45 + ++* ++ +++ + peak 3795 Upper QD2 LEU 389 - H GLU 414 5.50 7 0.09 0.37 ++ ++ *+ + peak 1279 Upper QD2 LEU 389 - QB ALA 415 4.84 12 0.33 1.02 * ++ +++ ++++++ peak 1680 Upper QB GLU 390 - H PHE 392 5.50 7 0.08 0.29 +* ++ + ++ peak 1164 Upper HA GLN 391 - HA2 GLY 394 4.01 20 1.68 2.53 +++++++++++++*++++++ peak 3220 Upper HA GLN 391 - H ALA 395 5.50 18 0.67 1.21 ++ +++ ++++++*++++++ peak 1860 Upper HB2 PHE 392 - H LEU 393 3.56 9 0.10 0.38 + + *+ + ++ ++ peak 444 Upper HB2 PHE 392 - H GLY 394 4.92 11 0.26 0.71 +*+ + ++ + ++ ++ peak 437 Upper QD PHE 392 - HG LEU 393 4.60 20 0.78 1.17 ++++++*+++++++++++++ peak 3284 Upper QD PHE 392 - QD1 LEU 393 5.16 18 0.33 0.72 ++*++++++ +++++++ ++ peak 3296 Upper QE PHE 392 - QD2 LEU 393 3.36 20 1.16 1.78 ++*+++++++++++++++++ peak 164 Upper QE PHE 392 - H VAL 419 5.50 16 0.43 0.96 +++++ *+++++++++ + peak 131 Upper HZ PHE 392 - HA ALA 416 3.47 6 0.14 0.60 *+ ++ + + peak 117 Upper HZ PHE 392 - H VAL 419 5.50 18 0.56 1.25 +++++++*+ +++++++ ++ peak 627 Upper HZ PHE 392 - HB VAL 419 4.66 20 1.07 2.10 +++++++++++++++++++* peak 3966 Upper HZ PHE 392 - QG1 VAL 419 3.55 10 0.23 1.35 +++ ++ +* + + + peak 3972 Upper HZ PHE 392 - QG2 VAL 419 3.75 20 0.95 2.11 ++*+++++++++++++++++ peak 181 Upper H LEU 393 - HA2 GLY 394 5.50 8 0.07 0.21 + + ++ +*+ + peak 3305 Upper H LEU 393 - HA3 GLY 394 5.50 13 0.16 0.26 ++++ +++ ++*++ + peak 3309 Upper H LEU 393 - QD1 LEU 396 5.50 10 0.09 0.26 +++ ++ +*+ + + peak 3357 Upper HA LEU 393 - QD1 LEU 396 3.93 9 0.08 0.33 +*+ + ++ + + + peak 3261 Upper HA LEU 393 - QD2 LEU 396 5.50 17 0.63 1.12 +++ *+ ++++++++++++ peak 3260 Upper HB2 LEU 393 - QD1 LEU 396 5.50 18 0.68 1.01 +++*+++ ++++++++ +++ peak 3258 Upper HB3 LEU 393 - HE21 GLN 401 5.50 19 0.42 0.92 +++++++++++ ++*+++++ peak 1199 Upper QD1 LEU 393 - H GLY 394 4.17 17 0.39 0.73 ++++++++++++ + ++ *+ peak 1179 Upper QD1 LEU 393 - H GLN 405 5.50 16 0.26 0.72 +*+ +++++ +++++++ + peak 3301 Upper QD1 LEU 393 - HG3 PRO 409 4.33 8 0.16 0.66 + ++ + +*++ peak 3270 Upper QD2 LEU 393 - QD1 LEU 396 3.81 6 0.16 0.79 *+ ++ ++ peak 3318 Upper H GLY 394 - HG2 GLN 401 5.10 14 0.26 0.66 + ++++ + ++++++ *+ peak 1174 Upper H LEU 396 - HG LEU 396 3.38 11 0.81 1.79 *+++++ + + +++ peak 1185 Upper H LEU 396 - HA GLN 401 4.86 18 0.64 1.04 +++++++ +++++*+++++ peak 462 Upper HG LEU 396 - QG2 VAL 419 3.82 11 0.36 0.92 ++ +++++* +++ peak 3956 Upper QD1 LEU 396 - H ILE 400 4.55 20 1.21 1.75 ++++++*+++++++++++++ peak 234 Upper QD1 LEU 396 - HB3 GLN 401 4.69 9 0.21 0.64 ++ +++ + * ++ peak 3513 Upper QD1 LEU 396 - HE22 GLN 401 5.50 19 0.37 0.66 ++*++++ ++++++++++++ peak 1209 Upper QD1 LEU 396 - H ALA 402 5.50 10 0.29 0.82 ++ +++ + + * ++ peak 1212 Upper QD1 LEU 396 - H GLN 405 5.50 7 0.08 0.43 + ++ + + + * peak 3359 Upper QD1 LEU 396 - QG2 VAL 419 3.51 6 0.11 0.92 ++ * + + + peak 1754 Upper QD2 LEU 396 - HB3 GLN 401 5.50 11 0.14 0.36 +++++ +++ +* + peak 4064 Upper HB2 PRO 397 - QG2 ILE 400 4.17 19 0.27 0.43 ++++++++++++*+++ +++ peak 3396 HB2 PRO 397 - QD1 ILE 400 Upper HA PRO 398 - H GLN 401 4.29 7 0.06 0.26 +++ + + +* peak 3438 Upper HA PRO 398 - HE21 GLN 401 5.50 19 0.34 0.63 +++++++++++ ++*+++++ peak 3436 Upper HA PRO 398 - HE22 GLN 401 5.50 10 0.13 0.49 ++ ++ * ++ +++ peak 478 Upper QG GLU 399 - H ALA 402 5.50 6 0.06 0.31 +* ++ + + peak 2241 Upper HB ILE 400 - H GLN 401 3.23 12 0.19 0.45 ++ +++ + ++++ *+ peak 1136 Upper HG12 ILE 400 - QG1 VAL 419 3.90 7 0.09 0.58 + ++ +* + + peak 3953 Upper HA GLN 401 - HE22 GLN 401 5.50 19 0.40 0.46 ++++++*++ ++++++++++ peak 477 Upper HG3 GLN 401 - H ARG 403 5.50 8 0.09 0.30 *++ ++ +++ peak 4102 Upper H ALA 402 - QQG VAL 404 4.53 7 0.08 0.36 ++ * + ++ + peak 1211 Upper H ARG 403 - HB VAL 404 5.50 13 0.31 0.55 +++ +++ + +* + +++ peak 3442 Upper HA VAL 404 - QD2 LEU 418 3.96 19 0.31 0.55 +++++ ++*+++++++++++ peak 3938 Upper QQG VAL 404 - HA LEU 418 3.90 18 0.22 0.56 ++++++ +++++*+++++ + peak 3578 Upper HE22 GLN 407 - QD2 LEU 418 4.62 6 0.07 0.38 + ++ + *+ peak 3914 Upper HA PRO 409 - H SER 411 4.11 6 0.09 0.43 *+ ++ + + peak 553 Upper HG2 PRO 409 - H SER 411 3.10 13 0.28 0.73 ++ ++++* +++ +++ peak 1260 H SER 411 - QB GLU 414 Upper HG2 PRO 409 - HA ALA 415 3.45 7 0.12 0.44 + * + + ++ + peak 3889 Upper HG3 PRO 409 - HA ALA 415 4.26 7 0.13 0.61 ++ + +++ * peak 3887 Upper HD2 PRO 409 - QB ALA 415 4.98 6 0.07 0.29 ++++ * + peak 1686 Upper H GLY 410 - H ALA 415 5.50 17 0.38 0.81 +++++++*+ ++++ ++ ++ peak 540 Upper H SER 411 - QB GLU 414 4.00 6 0.13 0.62 * ++ ++ + peak 3857 Upper HA PRO 412 - H ALA 416 4.49 6 0.09 0.69 ++ + + *+ peak 3805 Upper HB2 PRO 412 - H GLU 414 5.50 7 0.11 0.44 +*+ ++ + + peak 3807 Upper HG2 GLU 413 - QB ALA 416 5.50 9 0.17 0.62 * +++ ++ ++ + peak 3838 Upper HG3 GLU 413 - QB ALA 416 4.51 20 1.02 1.36 ++++++++++++++*+++++ peak 3839 Upper H GLU 414 - QD2 LEU 418 5.50 8 0.14 0.62 +++ ++ + * + peak 1278 Upper HG3 GLU 414 - QD1 LEU 418 3.60 18 0.92 1.36 ++*++++ ++++++++++ + peak 3876 HG3 GLU 414 - QD2 LEU 418 Upper HA ALA 415 - HB2 LEU 418 3.75 9 0.09 0.34 ++ + +*+ ++ + peak 8118 Upper H ALA 416 - HG LEU 418 4.72 8 0.10 0.32 +* ++++ + + peak 974 Upper HA ALA 416 - HB VAL 419 3.56 14 0.41 0.78 ++ ++++ *+ + ++ +++ peak 3960 Upper HA ALA 417 - HB2 ASP 420 3.57 6 0.12 0.80 *++ + + + peak 3900 Upper QB ALA 417 - HB2 ASP 420 4.40 17 0.50 1.08 ++*++ ++++++++++++ peak 1490 Upper QB ALA 417 - HB3 ASP 420 4.32 18 0.59 1.37 +++ +++*+++++ ++++++ peak 1487 Upper H LEU 418 - QG2 VAL 419 4.50 20 0.66 1.46 ++*+++++++++++++++++ peak 8191 Upper HB VAL 419 - H ASP 420 4.09 9 0.08 0.26 ++ * + + ++ ++ peak 805 Upper HA LEU 422 - QD2 LEU 422 2.84 8 0.21 0.61 ++++ + + *+ peak 565 Upper QD2 LEU 422 - H ARG 423 4.73 9 0.09 0.23 + + ++ ++ *++ peak 3992 Upper H ARG 423 - HG2 ARG 423 3.19 13 0.19 0.55 + + ++++ +++ + *++ peak 1301 Upper HA ARG 423 - HG2 ARG 423 3.47 7 0.09 0.28 * ++ + + + + peak 4034 Upper HA ARG 423 - QD ARG 423 3.93 12 0.13 0.31 *+ ++++ + +++ + + peak 1235 VdW O ALA 43 - HB3 PHE 47 2.30 16 0.24 0.32 +*+ ++++ +++++++++ VdW HB2 PHE 47 - CB LEU 68 2.60 11 0.18 0.39 + *+ +++ + ++ ++ VdW HB2 PHE 47 - HB3 LEU 68 2.00 7 0.19 0.45 *++ ++ ++ VdW CG PHE 47 - C PHE 47 2.90 19 0.23 0.24 ++++++++++++++*++++ VdW CG PHE 47 - SG CYS 69 3.40 8 0.14 0.32 *++ ++ +++ VdW CD1 PHE 47 - SG CYS 69 3.40 14 0.23 0.51 ++++++ +*+ +++++ VdW HD1 PHE 47 - O LEU 65 2.30 6 0.12 0.48 + + ++ *+ VdW CE1 PHE 47 - HB2 LEU 65 2.60 9 0.19 0.49 + + +* +++++ VdW CE1 PHE 47 - SG CYS 69 3.40 15 0.25 0.59 ++++++ +++ +*+++ + VdW CE1 PHE 47 - O LEU 87 2.90 13 0.22 0.46 ++ +++* ++ +++ + + VdW HE1 PHE 47 - HB2 LEU 65 2.00 9 0.16 0.39 ++ + ++ ++ + * VdW HE1 PHE 47 - O LEU 87 2.30 10 0.24 0.70 ++ ++ + + ++* + VdW CZ PHE 47 - SG CYS 69 3.40 9 0.20 0.55 + ++ ++* + ++ VdW CZ PHE 47 - O LEU 87 2.90 10 0.20 0.40 + ++ +++ +*+ + VdW CZ PHE 47 - CB GLN 91 3.20 20 0.41 0.50 ++*+++++++++++++++++ VdW CZ PHE 47 - HB2 GLN 91 2.60 14 0.35 0.71 +++ +++ +++ +*+ ++ VdW CZ PHE 47 - HB3 GLN 91 2.60 8 0.18 0.60 ++ +* ++ ++ VdW HZ PHE 47 - CB GLN 91 2.60 7 0.13 0.34 ++ + ++ +* VdW HZ PHE 47 - HB3 GLN 91 2.00 7 0.17 0.50 + + + + *+ + VdW CE2 PHE 47 - SG CYS 69 3.40 6 0.15 0.49 * + +++ + VdW CE2 PHE 47 - O LEU 87 2.90 6 0.11 0.63 * + + + + + VdW HA PHE 50 - HD1 PHE 50 2.00 6 0.10 0.36 * + + + ++ VdW HA PHE 50 - HD2 PHE 50 2.00 8 0.13 0.36 ++ + *+ ++ + VdW CB PHE 50 - O ALA 61 2.90 8 0.15 0.62 ++ ++ ++ + * VdW HB3 PHE 50 - O ALA 61 2.30 8 0.21 0.80 +++ ++ + + * VdW CG PHE 50 - CA ALA 61 3.20 6 0.09 0.36 + + +* ++ VdW CG PHE 50 - HA ALA 61 2.60 10 0.29 0.82 +++ +* ++ + ++ VdW CG PHE 50 - O ALA 61 2.90 8 0.19 0.67 ++ ++ +* + + VdW CG PHE 50 - HG3 GLN 64 2.60 6 0.12 0.53 ++ + * + + VdW CD1 PHE 50 - CA ALA 61 3.20 11 0.26 0.72 ++ + +++ + + ++ * VdW CD1 PHE 50 - HA ALA 61 2.60 7 0.23 0.92 ++ + + + +* VdW CD1 PHE 50 - C ALA 61 3.10 12 0.35 0.88 ++ + +*+ +++ ++ + VdW CD1 PHE 50 - O ALA 61 2.90 9 0.38 1.13 + + ++ +*+ ++ VdW CD1 PHE 50 - HG3 GLN 64 2.60 6 0.12 0.41 ++ + + + * VdW HD1 PHE 50 - C ALA 61 2.50 11 0.30 0.79 ++ + +++ + + +* + VdW HD1 PHE 50 - O ALA 61 2.30 12 0.43 1.15 ++ + +++ ++* ++ + VdW CE1 PHE 50 - C GLU 60 3.10 9 0.26 0.75 ++ + + + + +* + VdW CE1 PHE 50 - O GLU 60 2.90 11 0.38 1.04 +++ + *+++ ++ + VdW CE1 PHE 50 - CG GLN 64 3.20 8 0.18 0.65 ++* + ++ + + VdW HE1 PHE 50 - O GLU 60 2.30 6 0.22 0.91 ++ * ++ + VdW HE1 PHE 50 - H ALA 63 1.95 6 0.13 0.67 + +* + ++ VdW CZ PHE 50 - CA GLU 60 3.20 7 0.11 0.49 ++ ++ + +* VdW CZ PHE 50 - CG GLU 60 3.20 7 0.15 0.51 ++* ++ + + VdW CZ PHE 50 - HG3 GLU 60 2.60 8 0.17 0.77 ++* ++ ++ + VdW CZ PHE 50 - C GLU 60 3.10 10 0.32 0.82 +* +++++ + ++ VdW CZ PHE 50 - O GLU 60 2.90 12 0.45 1.19 ++ +++*+ + ++++ VdW CZ PHE 50 - CG GLN 64 3.20 16 0.39 0.71 + +*+++++ ++++ ++++ VdW CZ PHE 50 - HG3 GLN 64 2.60 10 0.39 0.97 + +* ++++ ++ + VdW CZ PHE 50 - HE21 GLN 64 2.55 8 0.15 0.51 +++ *+ + + + VdW HZ PHE 50 - CA GLU 60 2.60 6 0.10 0.43 +* ++ + + VdW HZ PHE 50 - HA GLU 60 2.00 6 0.13 0.61 +* ++ + + VdW CE2 PHE 50 - C GLU 60 3.10 8 0.21 0.64 + *++ + + + + VdW CE2 PHE 50 - O GLU 60 2.90 13 0.49 1.22 + +++ ++*+ +++++ VdW CE2 PHE 50 - CG GLN 64 3.20 10 0.25 0.64 + ++ +++ +*++ VdW CE2 PHE 50 - HG2 GLN 64 2.60 6 0.14 0.58 + ++ * + + VdW CE2 PHE 50 - HG3 GLN 64 2.60 8 0.25 0.92 + ++ ++ +* + VdW HE2 PHE 50 - O GLU 60 2.30 7 0.26 1.14 + + + * + ++ VdW CD2 PHE 50 - CA ALA 61 3.20 6 0.17 0.65 + * + + ++ VdW CD2 PHE 50 - HA ALA 61 2.60 6 0.19 0.85 + + + * ++ VdW CD2 PHE 50 - C ALA 61 3.10 7 0.19 0.78 + + + + * ++ VdW CD2 PHE 50 - O ALA 61 2.90 7 0.23 0.83 + + + + + +* VdW CD2 PHE 50 - HG3 GLN 64 2.60 6 0.13 0.67 ++ + +* + VdW HD2 PHE 50 - C ALA 61 2.50 6 0.14 0.54 + + * ++ + VdW HD2 PHE 50 - O ALA 61 2.30 8 0.28 0.97 * + + + ++ ++ VdW CA HIS 51 - O GLY 94 2.90 11 0.20 0.40 +++ + + *+++ ++ VdW HA HIS 51 - C GLY 94 2.50 7 0.12 0.40 + ++ * + ++ VdW HA HIS 51 - O GLY 94 2.30 15 0.32 0.64 ++++++*++ ++++ ++ VdW C HIS 51 - CB ALA 61 3.10 8 0.21 0.56 ++ *+ +++ + VdW N TYR 52 - CB ALA 61 3.05 8 0.20 0.58 ++ ++ +++ * VdW CA TYR 52 - O GLY 57 2.90 12 0.29 0.57 +++ ++ + ++ *+ + + VdW CA TYR 52 - CB ALA 61 3.20 6 0.11 0.45 ++ +* + + VdW HA TYR 52 - O GLY 57 2.30 18 0.41 0.77 +++++++++*+ ++++++ + VdW CB TYR 52 - O GLY 57 2.90 12 0.27 0.62 +*+ ++ + +++ +++ VdW CB TYR 52 - HA PRO 58 2.60 17 0.41 0.72 +++ ++ ++++*+++++++ VdW CB TYR 52 - C ALA 95 3.10 16 0.32 0.52 + ++++++++++ + +++* VdW HB2 TYR 52 - CA PRO 58 2.60 9 0.20 0.43 +++ + *++ ++ VdW HB2 TYR 52 - HA PRO 58 2.00 16 0.38 0.71 +++++ ++* ++++++++ VdW HB2 TYR 52 - O PRO 58 2.30 6 0.13 0.51 ++ ++ * + VdW HB3 TYR 52 - C ALA 95 2.50 16 0.43 0.79 + ++++++* + ++ +++++ VdW HB3 TYR 52 - O ALA 95 2.30 6 0.15 0.61 *+ ++ + + VdW HB3 TYR 52 - N LEU 96 2.45 18 0.44 0.65 *++ +++++++ ++++++++ VdW HB3 TYR 52 - CA LEU 96 2.60 16 0.31 0.57 ++++++++ * ++ ++ +++ VdW HB3 TYR 52 - HA LEU 96 2.00 7 0.14 0.46 +* + + + + + VdW CG TYR 52 - C GLY 57 3.10 11 0.22 0.44 +++ ++ +++ *++ VdW CG TYR 52 - O GLY 57 2.90 6 0.14 0.36 +* + + ++ VdW CG TYR 52 - CA PRO 58 3.20 11 0.31 0.68 + ++ +++ *++++ VdW CG TYR 52 - HA PRO 58 2.60 16 0.49 1.05 +++ ++ ++++++*++++ VdW CG TYR 52 - HD3 PRO 97 2.60 11 0.20 0.49 + ++ ++* ++ +++ VdW CD1 TYR 52 - C TYR 52 3.10 11 0.36 0.72 * + + ++++ + + ++ VdW CD1 TYR 52 - N GLU 53 3.05 11 0.17 0.48 + + + +*++ + + ++ VdW CD1 TYR 52 - C GLY 57 3.10 9 0.14 0.40 *+ ++ +++ ++ VdW CD1 TYR 52 - N PRO 58 3.05 6 0.15 0.73 * + + + + + VdW CD1 TYR 52 - CA PRO 58 3.20 9 0.33 0.99 * + +++ + + + + VdW CD1 TYR 52 - HA PRO 58 2.60 9 0.33 1.31 + + *++ + + + + VdW CD1 TYR 52 - CB PRO 58 3.20 7 0.16 0.64 + ++ * + + + VdW CD1 TYR 52 - HB3 PRO 58 2.60 6 0.11 0.69 ++ * + + + VdW CD1 TYR 52 - HD3 PRO 97 2.60 7 0.15 0.45 + +++ + + * VdW HD1 TYR 52 - C TYR 52 2.50 11 0.45 0.96 + + * ++++ + + ++ VdW HD1 TYR 52 - N GLU 53 2.45 11 0.36 0.80 + + + ++++ + + +* VdW HD1 TYR 52 - CA PRO 58 2.60 7 0.23 1.42 * +++ + + + VdW HD1 TYR 52 - HA PRO 58 2.00 6 0.23 1.20 * +++ + + VdW CD2 TYR 52 - C TYR 52 3.10 9 0.30 0.75 + + ++* + + + + VdW CD2 TYR 52 - N GLU 53 3.05 8 0.14 0.46 * + +++ + + + VdW CD2 TYR 52 - N PRO 58 3.05 9 0.19 0.70 * + + ++ + + ++ VdW CD2 TYR 52 - CA PRO 58 3.20 11 0.40 0.97 + + + ++*+ + + ++ VdW CD2 TYR 52 - HA PRO 58 2.60 10 0.39 1.26 + + ++*+ + + ++ VdW CD2 TYR 52 - CB PRO 58 3.20 8 0.23 0.65 + + +++ * ++ VdW CD2 TYR 52 - HB3 PRO 58 2.60 7 0.19 0.68 + +++ * ++ VdW HD2 TYR 52 - C TYR 52 2.50 9 0.38 1.03 + + ++* + + + + VdW HD2 TYR 52 - O TYR 52 2.30 6 0.13 0.55 * + + + + + VdW HD2 TYR 52 - N GLU 53 2.45 9 0.28 0.79 + + +++ + + + * VdW HD2 TYR 52 - CA PRO 58 2.60 8 0.23 1.34 * + + +++ ++ VdW HD2 TYR 52 - HA PRO 58 2.00 7 0.22 1.03 * + +++ ++ VdW HD2 TYR 52 - CB PRO 58 2.60 7 0.18 0.86 + + + * + ++ VdW HD2 TYR 52 - HB3 PRO 58 2.00 7 0.15 0.65 + +* + + ++ VdW N GLU 53 - HG2 GLU 53 2.45 9 0.18 0.38 +*++ + + + + + VdW C GLU 53 - N ALA 55 2.95 9 0.17 0.33 ++ *+ ++ +++ VdW C GLU 53 - H ALA 55 2.45 11 0.21 0.50 + ++ *++++ +++ VdW HA GLU 54 - CG ASP 420 2.50 10 0.15 0.43 +++ * + +++ ++ VdW CG2 THR 56 - C THR 56 2.90 6 0.10 0.32 + + * +++ VdW CG2 THR 56 - CG GLU 60 3.20 10 0.18 0.51 + * ++++ + ++ + VdW CG2 THR 56 - HG2 GLU 60 2.60 7 0.19 0.67 ++* + + + + VdW C THR 56 - O GLY 57 2.80 6 0.09 0.39 ++ *+ + + VdW O THR 56 - C GLY 57 2.80 6 0.11 0.48 ++ *+ + + VdW O THR 56 - O GLY 57 2.60 6 0.23 1.06 ++ *+ + + VdW O THR 56 - N ALA 417 2.75 7 0.17 0.67 + +* + + ++ VdW CA GLY 57 - C ALA 416 3.10 8 0.13 0.50 +++ + ++ + * VdW CA GLY 57 - O ALA 416 2.90 6 0.12 0.44 ++ ++ + * VdW HA3 GLY 57 - CB ALA 416 2.60 13 0.25 0.56 +++ ++ ++++ * +++ VdW HA3 GLY 57 - C ALA 416 2.50 14 0.36 0.74 +++ +++ ++ + *+++ + VdW CB PRO 58 - H GLN 59 2.55 12 0.15 0.28 +++ ++ ++ *+ +++ VdW CB PRO 58 - HB2 PRO 358 2.60 8 0.19 0.59 ++ *++ ++ + VdW CB PRO 58 - CG PRO 358 3.20 6 0.14 0.59 + ++ + +* VdW CB PRO 58 - HG3 GLN 359 2.60 7 0.18 0.64 *+ ++ ++ + VdW HB2 PRO 58 - CB PRO 358 2.60 10 0.22 0.53 +++ ++ + *+ ++ VdW HB2 PRO 58 - HB3 PRO 358 2.00 6 0.11 0.56 +* ++ + + VdW HB2 PRO 58 - CG PRO 358 2.60 13 0.26 0.61 +++ ++ + ++ ++ +*+ VdW HB2 PRO 58 - HG3 PRO 358 2.00 7 0.14 0.58 +*+ ++ + + VdW CG PRO 58 - NE2 GLN 59 3.05 6 0.12 0.50 * + + ++ + VdW CG PRO 58 - CB PRO 358 3.20 6 0.13 0.56 + ++ + +* VdW CG PRO 58 - HB2 PRO 358 2.60 11 0.22 0.57 ++ +++ +*+ +++ VdW HG2 PRO 58 - H GLN 59 1.95 9 0.19 0.26 ++ + + +* ++ + VdW HG2 PRO 58 - NE2 GLN 59 2.45 12 0.33 0.89 * + ++ ++ +++ +++ VdW HG2 PRO 58 - HE21 GLN 59 1.95 9 0.19 0.61 ++ + +*+ + + + VdW HG2 PRO 58 - HZ PHE 392 2.00 6 0.15 0.60 ++ *+ + + VdW HG3 PRO 58 - HB2 PRO 358 2.00 6 0.11 0.48 ++ +* + + VdW C PRO 58 - N GLU 60 2.95 6 0.11 0.27 ++ * + ++ VdW C PRO 58 - H GLU 60 2.45 6 0.11 0.31 ++ ++ * + VdW O PRO 58 - CB ALA 95 2.90 7 0.14 0.63 +++ + + * + VdW N GLN 59 - HG3 GLN 59 2.45 7 0.12 0.44 * + + ++ + + VdW N GLN 59 - CB PRO 358 3.05 6 0.09 0.32 +++ * + + VdW N GLN 59 - CB ALA 416 3.05 6 0.10 0.40 ++ *+ + + VdW H GLN 59 - CG GLN 59 2.55 11 0.20 0.41 + + + +*+ ++ +++ VdW H GLN 59 - HG3 GLN 59 1.95 7 0.20 0.71 * + + ++ + + VdW H GLN 59 - HE21 GLN 59 1.90 7 0.19 0.99 ++ ++ +* + VdW CA GLN 59 - HB2 PRO 358 2.60 6 0.11 0.46 +++ * + + VdW CA GLN 59 - CA GLN 359 3.20 6 0.12 0.54 + *+ + ++ VdW CA GLN 59 - HA GLN 359 2.60 6 0.17 0.71 + *+ + ++ VdW CA GLN 59 - CD2 LEU 362 3.20 6 0.09 0.43 + *+ + ++ VdW HA GLN 59 - CA GLN 359 2.60 6 0.19 0.83 + ++ * ++ VdW HA GLN 59 - HA GLN 359 2.00 6 0.20 1.01 + +* + ++ VdW CB GLN 59 - CD2 LEU 362 3.20 7 0.20 1.24 + *+ + +++ VdW CB GLN 59 - HD23 LEU 362 2.60 7 0.13 0.59 * + + + +++ VdW CB GLN 59 - CE1 PHE 392 3.20 6 0.23 1.06 + + +* + + VdW CB GLN 59 - CZ PHE 392 3.20 7 0.18 0.79 + + ++ * ++ VdW CB GLN 59 - C PRO 412 3.10 6 0.16 0.62 +* ++ + + VdW CB GLN 59 - O PRO 412 2.90 6 0.16 0.62 +* ++ + + VdW HB2 GLN 59 - CE1 PHE 392 2.60 7 0.36 1.29 + + ++ * ++ VdW HB2 GLN 59 - CZ PHE 392 2.60 8 0.31 1.23 + + + ++ * ++ VdW HB2 GLN 59 - H ALA 416 1.95 6 0.15 0.58 *+ ++ + + VdW HB2 GLN 59 - CB ALA 416 2.60 6 0.09 0.35 ++ ++ * + VdW HB3 GLN 59 - CA PRO 412 2.60 6 0.17 0.90 ++ ++ + * VdW HB3 GLN 59 - C PRO 412 2.50 6 0.24 0.83 ++ *+ + + VdW HB3 GLN 59 - O PRO 412 2.30 6 0.11 0.42 *+ ++ + + VdW CG GLN 59 - CB PRO 358 3.20 6 0.10 0.45 + + + * + + VdW CG GLN 59 - CG PHE 392 3.20 6 0.18 0.70 ++ *+ + + VdW CG GLN 59 - CD1 PHE 392 3.20 6 0.19 0.71 ++ ++ + * VdW CG GLN 59 - CE1 PHE 392 3.20 8 0.23 0.69 + +++ ++ + * VdW CG GLN 59 - CZ PHE 392 3.20 11 0.36 0.90 + ++* ++ + + +++ VdW CG GLN 59 - CE2 PHE 392 3.20 9 0.29 0.88 + +++ ++ * ++ VdW CG GLN 59 - CD2 PHE 392 3.20 6 0.19 0.72 ++ ++ * + VdW CG GLN 59 - CB ALA 395 3.20 6 0.13 0.38 + *+ +++ VdW CG GLN 59 - O ALA 395 2.90 6 0.11 0.39 + +* +++ VdW HG2 GLN 59 - CB ALA 395 2.60 7 0.15 0.64 + +* ++ + + VdW HG2 GLN 59 - HA PRO 412 2.00 6 0.14 0.60 *+ ++ + + VdW HG3 GLN 59 - CB PRO 358 2.60 6 0.15 0.63 + + * + + + VdW HG3 GLN 59 - CG PHE 392 2.60 6 0.18 0.75 ++ ++ + * VdW HG3 GLN 59 - CD1 PHE 392 2.60 6 0.18 1.03 +* ++ + + VdW HG3 GLN 59 - CE1 PHE 392 2.60 6 0.22 1.01 +* ++ + + VdW HG3 GLN 59 - CZ PHE 392 2.60 8 0.28 0.99 + +++ ++ * + VdW HG3 GLN 59 - CE2 PHE 392 2.60 7 0.30 1.33 +++ ++ * + VdW HG3 GLN 59 - CD2 PHE 392 2.60 6 0.23 1.03 ++ ++ * + VdW CD GLN 59 - CE1 PHE 392 3.10 8 0.21 0.76 + +* +++ + + VdW CD GLN 59 - CZ PHE 392 3.10 15 0.39 0.69 + +++ + ++++ *+++++ VdW CD GLN 59 - CE2 PHE 392 3.10 7 0.19 0.73 * ++ ++ + + VdW CD GLN 59 - O ALA 395 2.80 8 0.16 0.52 ++* ++ + + + VdW OE1 GLN 59 - CE1 PHE 392 2.90 6 0.14 0.66 * ++ + + + VdW OE1 GLN 59 - CE2 PHE 392 2.90 6 0.11 0.48 + + +* + + VdW OE1 GLN 59 - CB ALA 395 2.90 6 0.15 0.63 + * ++ + + VdW OE1 GLN 59 - O ALA 395 2.60 10 0.22 0.92 ++* ++ ++ + + + VdW OE1 GLN 59 - CB ALA 415 2.90 6 0.15 0.69 ++ ++ * + VdW NE2 GLN 59 - CZ PHE 392 3.05 12 0.25 0.52 + ++ + ++*+ +++ + VdW NE2 GLN 59 - HZ PHE 392 2.45 9 0.21 0.67 + + *+++ ++ + VdW NE2 GLN 59 - CD2 LEU 396 3.05 6 0.11 0.53 ++ +* + + VdW NE2 GLN 59 - N ALA 416 2.90 6 0.14 0.62 +* ++ + + VdW NE2 GLN 59 - CA ALA 416 3.05 13 0.28 0.70 + +++ ++ ++ * ++ ++ VdW NE2 GLN 59 - HA ALA 416 2.45 14 0.34 0.68 + +++ +++ ++ * ++ ++ VdW HE22 GLN 59 - CA ALA 416 2.55 6 0.14 0.68 + + + * + + VdW HE22 GLN 59 - HA ALA 416 1.95 14 0.32 0.79 + ++ + ++ * +++++++ VdW C GLN 59 - N ALA 61 2.95 8 0.13 0.35 ++ ++++ * + VdW C GLN 59 - H ALA 61 2.45 8 0.22 0.62 ++ ++ + * ++ VdW C GLN 59 - CE1 PHE 392 3.10 6 0.13 0.48 + *+ + ++ VdW C GLN 59 - HE1 PHE 392 2.50 8 0.23 0.76 + + + ++ * ++ VdW O GLN 59 - N ALA 61 2.75 7 0.14 0.48 ++ ++* + + VdW O GLN 59 - CD2 LEU 362 2.90 7 0.21 0.95 + + + + *++ VdW N GLU 60 - HE1 PHE 392 2.45 7 0.21 1.03 + + + +* + + VdW N GLU 60 - CB ALA 416 3.05 9 0.19 0.36 + +* ++ + ++ + VdW H GLU 60 - CB ALA 416 2.55 18 0.46 0.76 +++*+ ++++++++ +++++ VdW H GLU 60 - HB1 ALA 416 1.95 6 0.16 0.76 + * + + + + VdW H GLU 60 - HB3 ALA 416 1.95 6 0.15 0.91 + * + +++ VdW HA GLU 60 - HA GLU 413 2.00 7 0.15 0.74 + ++ + + + * VdW CB GLU 60 - CB ALA 416 3.20 8 0.19 0.56 + + +* ++ ++ VdW HB2 GLU 60 - CB ALA 416 2.60 6 0.11 0.34 +++ * + + VdW O GLU 60 - N ALA 63 2.75 7 0.15 0.51 ++* ++ + + VdW O GLU 60 - H ALA 63 1.80 6 0.11 0.44 ++* ++ + VdW CB ALA 61 - CA ALA 95 3.20 16 0.37 0.71 ++++ +++ +* + ++++++ VdW CB ALA 61 - HA ALA 95 2.60 18 0.48 0.83 ++++++++++*+++ ++++ VdW CB ALA 61 - CB ALA 95 3.20 10 0.23 0.55 + + + ++ + + *+ + VdW HB1 ALA 61 - CA ALA 95 2.60 10 0.21 0.46 ++ + + ++ + *+ + VdW HB1 ALA 61 - HA ALA 95 2.00 13 0.30 0.66 ++++ ++ ++++*++ VdW HB1 ALA 61 - CB ALA 95 2.60 6 0.15 0.56 ++ *+ + + VdW HB2 ALA 61 - CA ALA 95 2.60 6 0.10 0.39 + ++ + +* VdW HB2 ALA 61 - HA ALA 95 2.00 6 0.17 0.66 + + +* ++ VdW HB3 ALA 61 - CA ALA 95 2.60 7 0.13 0.59 +++ * ++ + VdW O ALA 61 - CD1 LEU 65 2.90 10 0.30 0.75 + + * ++ + + +++ VdW O ALA 61 - NE2 GLN 91 2.75 10 0.21 0.62 +++ ++++ + * + VdW CA LEU 62 - CD1 LEU 65 3.20 8 0.13 0.38 + + + + *+++ VdW CA LEU 62 - HD13 LEU 65 2.60 7 0.22 0.76 + + + *+++ VdW CB LEU 62 - CG1 VAL 88 3.20 6 0.10 0.44 * + ++ + + VdW CB LEU 62 - CB PHE 92 3.20 7 0.13 0.54 +++ ++ * + VdW CB LEU 62 - HB2 PHE 92 2.60 8 0.18 0.68 +++ ++ * + + VdW HB2 LEU 62 - CB PHE 92 2.60 6 0.11 0.67 + + +* + + VdW HB2 LEU 62 - HB2 PHE 92 2.00 7 0.18 0.68 *++ ++ + + VdW CG LEU 62 - O LEU 62 2.90 8 0.14 0.28 *++ +++ + + VdW CG LEU 62 - HD1 PHE 92 2.60 7 0.14 0.83 ++ ++ * + + VdW CG LEU 62 - CD2 PHE 92 3.20 6 0.13 0.44 *+ + + + + VdW CG LEU 62 - HD2 PHE 92 2.60 7 0.20 0.83 + *+ + + + + VdW CG LEU 62 - CB LEU 362 3.20 6 0.15 0.76 ++ * + + + VdW CG LEU 62 - HB2 LEU 362 2.60 10 0.30 1.18 ++ * + + + + +++ VdW CG LEU 62 - CD2 LEU 362 3.20 7 0.13 0.47 ++++ + + * VdW HG LEU 62 - C LEU 62 2.50 7 0.11 0.39 ++++ * + + VdW HG LEU 62 - CD2 LEU 362 2.60 8 0.24 0.83 ++++ + + * + VdW CD1 LEU 62 - CB LEU 362 3.20 8 0.23 0.78 ++ * + + + ++ VdW CD1 LEU 62 - HB2 LEU 362 2.60 9 0.28 0.98 ++ * + + + + ++ VdW CD2 LEU 62 - C LEU 62 3.10 7 0.26 0.95 * ++ + + + + VdW CD2 LEU 62 - O LEU 62 2.90 8 0.42 1.49 * ++ + + + ++ VdW CD2 LEU 62 - CD2 PHE 92 3.20 7 0.15 0.62 * ++ + + ++ VdW CD2 LEU 62 - HD2 PHE 92 2.60 6 0.20 0.82 + + + * ++ VdW CD2 LEU 62 - CB GLN 359 3.20 7 0.17 0.79 * ++ + + ++ VdW CD2 LEU 62 - O GLN 359 2.90 7 0.28 1.00 + *+ + + ++ VdW CD2 LEU 62 - CB LEU 362 3.20 11 0.21 0.89 ++ + + + ++* +++ VdW CD2 LEU 62 - HB2 LEU 362 2.60 11 0.39 1.06 ++ + + + ++* +++ VdW HD21 LEU 62 - O LEU 62 2.30 6 0.27 1.43 + *+ + + + VdW HD21 LEU 62 - HB2 LEU 362 2.00 6 0.10 0.51 ++ +* + + VdW C LEU 62 - CD1 LEU 65 3.10 19 0.55 0.73 +++++++++++ +++*++++ VdW C LEU 62 - HD11 LEU 65 2.50 6 0.19 0.68 * ++ ++ + VdW C LEU 62 - HD12 LEU 65 2.50 6 0.14 0.80 ++ + ++* VdW C LEU 62 - HD13 LEU 65 2.50 10 0.31 0.79 + + ++ + + *+++ VdW O LEU 62 - CD1 LEU 65 2.90 8 0.25 0.97 + +++ ++ * + VdW O LEU 62 - HD11 LEU 65 2.30 6 0.19 0.76 + *+ + + + VdW O LEU 62 - CD2 LEU 65 2.90 15 0.34 0.81 ++++ ++ ++++++ *+ + VdW O LEU 62 - HD22 LEU 65 2.30 9 0.21 0.61 ++++ ++++ * VdW O LEU 62 - HD23 LEU 65 2.30 7 0.16 0.72 + + + + * ++ VdW N ALA 63 - CD1 LEU 65 3.05 18 0.35 0.51 +++ ++++++* ++++++++ VdW N ALA 63 - HD12 LEU 65 2.45 6 0.13 0.56 ++ + ++* VdW N ALA 63 - HD13 LEU 65 2.45 10 0.23 0.67 +++ + ++ ++* + VdW CB ALA 63 - CB PRO 412 3.20 11 0.21 0.65 + + ++++ * + + ++ VdW CB ALA 63 - HB2 PRO 412 2.60 13 0.33 0.74 *++ ++++ +++ + ++ VdW CB ALA 63 - CG PRO 412 3.20 9 0.22 0.78 + + ++ + * ++ + VdW CB ALA 63 - HG2 PRO 412 2.60 9 0.25 0.98 +++ ++ * ++ + VdW CB ALA 63 - HG3 GLU 413 2.60 6 0.15 0.45 ++ * + ++ VdW HB1 ALA 63 - CB PRO 412 2.60 7 0.12 0.49 + ++ *++ + VdW HB1 ALA 63 - CG PRO 412 2.60 7 0.15 0.58 + + + + * ++ VdW HB1 ALA 63 - HG2 PRO 412 2.00 8 0.18 0.64 *+ ++ + + ++ VdW HB2 ALA 63 - HG2 PRO 412 2.00 7 0.15 0.71 + ++ + ++* VdW C ALA 63 - CD1 LEU 65 3.10 11 0.33 0.71 + +*+ ++ ++ ++ + VdW C ALA 63 - HD11 LEU 65 2.50 9 0.21 0.58 + +++ + *+++ VdW C ALA 63 - HD13 LEU 65 2.50 7 0.17 0.63 ++++ * + + VdW O ALA 63 - C GLN 64 2.80 6 0.13 0.26 + * + ++ + VdW O ALA 63 - CD1 LEU 65 2.90 7 0.15 0.55 +*+ ++ + + VdW O ALA 63 - CG ARG 66 2.90 8 0.21 0.69 ++ ++ + * + + VdW O ALA 63 - HG3 ARG 66 2.30 7 0.14 0.71 + ++ + + * + VdW O ALA 63 - CD ARG 66 2.90 10 0.26 0.76 ++ +++ +++ +* VdW O ALA 63 - HD3 ARG 66 2.30 10 0.25 0.72 ++ +++ ++* ++ VdW N GLN 64 - HG2 GLN 64 2.45 11 0.19 0.37 +++ ++ + + + +* + VdW H GLN 64 - CG GLN 64 2.55 8 0.18 0.33 + ++ + + + +* VdW H GLN 64 - HG2 GLN 64 1.95 14 0.31 0.62 +++ ++ ++++ + +*++ VdW CG GLN 64 - HG2 GLU 413 2.60 6 0.15 0.57 +++ +* + VdW HG2 GLN 64 - CG GLU 413 2.60 11 0.16 0.37 ++++ +*++ + + + VdW HG2 GLN 64 - HG2 GLU 413 2.00 12 0.30 0.77 ++++ +* + + + ++ + VdW O GLN 64 - C LEU 65 2.80 17 0.27 0.44 +++ +++++ + +++++++* VdW O GLN 64 - N GLU 67 2.75 10 0.18 0.38 + + +*+ + ++++ VdW N LEU 65 - CD1 LEU 65 3.05 19 0.65 0.86 +*+++++++++ ++++++++ VdW N LEU 65 - HD11 LEU 65 2.45 10 0.22 0.89 + + *+ ++ ++ + + VdW N LEU 65 - HD12 LEU 65 2.45 11 0.32 1.01 +++ * ++ +++++ VdW N LEU 65 - HD13 LEU 65 2.45 6 0.19 0.90 + +* + + + VdW H LEU 65 - CD1 LEU 65 2.55 17 0.57 0.91 +++ +++++++ *++++++ VdW H LEU 65 - HD11 LEU 65 1.95 6 0.17 0.69 + + + + * + VdW H LEU 65 - HD12 LEU 65 1.95 9 0.31 1.02 + + ++ + ++*+ VdW CA LEU 65 - CD1 LEU 65 3.00 7 0.12 0.25 * + ++ ++ + VdW CB LEU 65 - CG GLN 91 3.20 16 0.30 0.53 +++++++++ + ++ +++* VdW CB LEU 65 - HG2 GLN 91 2.60 20 0.56 0.82 +++++++*++++++++++++ VdW HB2 LEU 65 - HG2 GLN 91 2.00 7 0.18 0.54 ++ +* + + + VdW HB3 LEU 65 - CG GLN 91 2.60 6 0.15 0.64 + ++ + + * VdW HB3 LEU 65 - HG2 GLN 91 2.00 8 0.15 0.60 ++++ ++ + * VdW CG LEU 65 - CG GLN 91 3.20 16 0.42 0.71 +++ ++++ +* + ++++++ VdW CG LEU 65 - HG2 GLN 91 2.60 16 0.54 1.05 *++ ++++ ++ + ++++++ VdW CG LEU 65 - CD GLN 91 3.10 6 0.13 0.42 + * + ++ + VdW HG LEU 65 - CG GLN 91 2.60 15 0.44 1.06 +++ ++++ +* + +++++ VdW HG LEU 65 - HG2 GLN 91 2.00 10 0.29 1.03 * + + + + +++++ VdW HG LEU 65 - CD GLN 91 2.50 8 0.24 0.77 + + + + +++* VdW CD1 LEU 65 - H ARG 66 2.55 9 0.18 0.65 + *++ ++ + ++ VdW CD2 LEU 65 - H ARG 66 2.55 6 0.11 0.33 * + + + ++ VdW CD2 LEU 65 - CB VAL 88 3.20 7 0.23 0.74 * ++ + ++ + VdW CD2 LEU 65 - HB VAL 88 2.60 8 0.31 1.08 + ++ + + ++ * VdW CD2 LEU 65 - CG1 VAL 88 3.20 10 0.24 0.64 + ++*+ ++ ++ + VdW CD2 LEU 65 - CG2 VAL 88 3.20 10 0.19 0.48 + + + + ++ + +*+ VdW CD2 LEU 65 - CG GLN 91 3.20 11 0.28 0.64 + +++ + + +*+ + + VdW CD2 LEU 65 - HG2 GLN 91 2.60 13 0.32 0.72 + +++ ++ + ++*+++ VdW HD21 LEU 65 - CG1 VAL 88 2.60 7 0.14 0.44 * + + ++ + + VdW HD23 LEU 65 - CB VAL 88 2.60 7 0.11 0.44 * + ++ + ++ VdW HD23 LEU 65 - CG1 VAL 88 2.60 7 0.16 0.57 + *++ + + + VdW O LEU 65 - C ARG 66 2.80 6 0.15 0.32 * + + ++ + VdW O LEU 65 - N LEU 68 2.75 6 0.14 0.50 + + * + + + VdW CG ARG 66 - C ARG 66 2.90 7 0.12 0.23 + +*+ + + + VdW CG ARG 66 - N GLU 67 3.05 6 0.14 0.34 * + +++ + VdW CG ARG 66 - HB2 LEU 387 2.60 7 0.10 0.37 *+ +++ + + VdW HG2 ARG 66 - C ARG 66 2.50 12 0.21 0.44 *++ +++ +++ ++ + VdW HG2 ARG 66 - N GLU 67 2.45 6 0.11 0.37 + * + + ++ VdW HG3 ARG 66 - CB LEU 387 2.60 7 0.14 0.57 ++ + ++* + VdW CA GLU 67 - HB2 LEU 384 2.60 6 0.11 0.39 + * + ++ + VdW HA GLU 67 - CB LEU 384 2.60 16 0.38 0.67 ++ +*+ +++++++++ ++ VdW HA GLU 67 - HB2 LEU 384 2.00 10 0.21 0.64 + ++* + + +++ + VdW HA GLU 67 - HB3 LEU 384 2.00 7 0.16 0.80 ++ + + * ++ VdW CG GLU 67 - C GLU 67 2.90 13 0.20 0.24 +++ +++ +*+ ++++ VdW HA LEU 68 - CD1 LEU 68 2.60 8 0.14 0.48 +* ++ + + ++ VdW CB CYS 69 - CH2 TRP 72 3.20 6 0.17 0.37 * + + + + + VdW HB3 CYS 69 - CZ3 TRP 72 2.60 7 0.17 0.44 +*+ + ++ + VdW HB3 CYS 69 - CZ2 TRP 72 2.60 6 0.16 0.64 ++ * + + + VdW HB3 CYS 69 - CH2 TRP 72 2.60 20 0.51 0.71 +++++++++++++++++*++ VdW SG CYS 69 - CE2 TRP 72 3.40 10 0.23 0.56 +*+ +++ + +++ VdW SG CYS 69 - CZ2 TRP 72 3.40 19 0.52 0.76 +++++ +++++++++*++++ VdW C CYS 69 - N GLN 71 2.95 9 0.19 0.41 + ++ *+ + + ++ VdW C CYS 69 - CE3 TRP 72 3.10 20 0.36 0.45 ++++++++++*+++++++++ VdW C CYS 69 - CZ3 TRP 72 3.10 10 0.19 0.36 + * ++ + +++++ VdW O CYS 69 - C ARG 70 2.80 20 0.46 0.48 +*++++++++++++++++++ VdW O CYS 69 - N GLN 71 2.75 20 0.56 0.83 +++++++++++*++++++++ VdW O CYS 69 - CE3 TRP 72 2.90 19 0.52 0.64 +++++ ++++++++++++*+ VdW O CYS 69 - HE3 TRP 72 2.30 6 0.15 0.49 +*++ ++ VdW N ARG 70 - CZ3 TRP 72 3.05 9 0.18 0.30 + + + + + +++ * VdW CA ARG 70 - CZ3 TRP 72 3.20 6 0.13 0.36 + + *+ + + VdW HA ARG 70 - HZ3 TRP 72 2.00 15 0.28 0.54 ++ + +++ ++*++++++ VdW HA ARG 70 - CD2 LEU 73 2.60 11 0.27 0.72 + ++++ + + +++ * VdW HA ARG 70 - HD23 LEU 73 2.00 7 0.18 0.68 ++ * + + ++ VdW CB ARG 70 - HB3 LEU 384 2.60 8 0.17 0.52 + + + + ++ * + VdW HB3 ARG 70 - HB3 LEU 384 2.00 8 0.16 0.45 + * ++ + ++ + VdW CG ARG 70 - HH12 ARG 70 2.55 6 0.16 1.00 + + *++ + VdW HG3 ARG 70 - C ARG 70 2.50 6 0.13 0.50 + +*++ + VdW CD ARG 70 - CD1 LEU 373 3.20 8 0.18 0.56 ++ ++ *+ + + VdW NE ARG 70 - HB2 LEU 373 2.45 6 0.10 0.47 + + ++ + * VdW HE ARG 70 - CG LEU 373 2.55 6 0.10 0.43 * + + ++ + VdW CZ ARG 70 - CB PRO 375 3.20 6 0.12 0.61 + + + * + + VdW CZ ARG 70 - HB3 PRO 375 2.60 7 0.22 0.78 + ++ + + * + VdW CZ ARG 70 - HB2 MET 383 2.60 6 0.17 0.77 + +* +++ VdW CZ ARG 70 - CD1 LEU 384 3.20 7 0.18 0.67 + *+ + + + + VdW NH1 ARG 70 - CB PRO 375 3.10 8 0.21 0.60 + + + +* ++ + VdW NH1 ARG 70 - HB3 PRO 375 2.50 11 0.36 1.00 ++ + + + ++ +++ * VdW NH1 ARG 70 - HA LYS 380 2.50 7 0.13 0.51 + +++*++ VdW NH1 ARG 70 - CB MET 383 3.10 6 0.12 0.50 + *+ + ++ VdW NH1 ARG 70 - HB2 MET 383 2.50 6 0.17 0.76 + + *+ ++ VdW NH1 ARG 70 - CD1 LEU 384 3.10 6 0.15 0.67 + * ++ + + VdW HH11 ARG 70 - HA LYS 380 1.95 6 0.13 0.52 + +++ *+ VdW NH2 ARG 70 - CA PRO 375 3.10 8 0.16 0.72 + + + +* ++ + VdW NH2 ARG 70 - HA PRO 375 2.50 9 0.25 0.90 ++ +++* + + + VdW C ARG 70 - H TRP 72 2.45 12 0.22 0.39 + +++++ + + +++ * VdW C ARG 70 - HE3 TRP 72 2.50 8 0.16 0.26 + +*+ + + + + VdW O ARG 70 - N TRP 72 2.75 16 0.35 0.66 ++ +++++++ +++++* + VdW O ARG 70 - H TRP 72 1.80 15 0.30 0.59 ++ +++++++ ++++* + VdW O ARG 70 - HE3 TRP 72 2.30 11 0.26 0.57 +++ ++* +++ + + VdW O ARG 70 - HG LEU 73 2.30 8 0.17 0.62 + +*+ + ++ + VdW O ARG 70 - CD2 LEU 73 2.90 10 0.29 1.09 + + ++ +*+++ + VdW O ARG 70 - HD22 LEU 73 2.30 7 0.17 0.69 + * + +++ + VdW O ARG 70 - HG3 PRO 375 2.30 10 0.23 0.59 + * + +++ ++++ VdW O GLN 71 - HB3 TRP 72 2.30 16 0.32 0.62 *++++ ++++++++ +++ VdW N TRP 72 - HE3 TRP 72 2.45 17 0.34 0.49 +++*+ +++ +++++++++ VdW H TRP 72 - HE3 TRP 72 1.95 10 0.22 0.47 * + + ++++ + ++ VdW H TRP 72 - H LEU 73 1.90 14 0.24 0.42 + *+ ++++ + + + ++++ VdW CG TRP 72 - O TRP 72 2.90 14 0.25 0.50 ++ +*+ ++ ++ +++++ VdW CD2 TRP 72 - C TRP 72 3.10 19 0.26 0.33 *++++ ++++++++++++++ VdW CE3 TRP 72 - C TRP 72 3.10 16 0.29 0.45 ++ ++ +++ ++*++++++ VdW CE3 TRP 72 - N LEU 73 3.05 11 0.18 0.42 + * ++ + +++ +++ VdW CE3 TRP 72 - HB3 LEU 73 2.60 12 0.28 0.60 ++++ ++ +*++ ++ VdW CZ3 TRP 72 - CB LEU 73 3.20 13 0.25 0.49 ++* ++++ +++ +++ VdW CZ3 TRP 72 - HB3 LEU 73 2.60 19 0.56 0.95 ++*++ ++++++++++++++ VdW CZ3 TRP 72 - CD2 LEU 73 3.20 8 0.16 0.66 +*++ ++ ++ VdW CZ2 TRP 72 - CD1 LEU 86 3.20 8 0.18 0.63 + ++ + ++*+ VdW CZ2 TRP 72 - CD2 LEU 86 3.20 9 0.18 0.53 + + +++* +++ VdW HZ3 TRP 72 - CD2 LEU 73 2.60 11 0.34 0.76 + ++++ ++ ++* + VdW HZ3 TRP 72 - HD21 LEU 73 2.00 6 0.16 0.92 + ++ + + * VdW CH2 TRP 72 - CD1 LEU 86 3.20 8 0.18 0.52 + + + + *+++ VdW CH2 TRP 72 - HD11 LEU 86 2.60 7 0.12 0.49 + + + + *+ + VdW CH2 TRP 72 - CD2 LEU 86 3.20 11 0.23 0.51 + * +++++ +++ + VdW CH2 TRP 72 - HD21 LEU 86 2.60 6 0.10 0.34 * + ++ + + VdW CH2 TRP 72 - HA LEU 87 2.60 10 0.19 0.41 + + ++* ++ + ++ VdW HZ2 TRP 72 - HG LEU 86 2.00 7 0.15 0.47 ++ *+ +++ VdW HH2 TRP 72 - CA LEU 87 2.60 10 0.22 0.50 * + +++ ++ + ++ VdW HH2 TRP 72 - HA LEU 87 2.00 18 0.44 0.66 *++ ++++++++++++ +++ VdW CG LEU 73 - N ARG 74 3.05 7 0.14 0.44 +* + + ++ + VdW CG LEU 73 - H ARG 74 2.55 6 0.14 0.58 + ++ +* + VdW CD1 LEU 73 - N ARG 74 3.05 6 0.18 0.71 + ++ + + * VdW CD1 LEU 73 - H ARG 74 2.55 6 0.16 0.70 +*+ + + + VdW CD1 LEU 73 - HG LEU 87 2.60 7 0.13 0.59 *+ ++ ++ + VdW CD1 LEU 73 - CD ARG 370 3.20 14 0.26 0.60 +++++ + +*++++++ VdW CD1 LEU 73 - HD2 ARG 370 2.60 10 0.17 0.54 + + ++++ + *+ + VdW CD1 LEU 73 - HD3 ARG 370 2.60 8 0.20 0.61 +++ *+++ + VdW CD2 LEU 73 - N ARG 74 3.05 11 0.19 0.48 *++ ++ +++++ + VdW CD2 LEU 73 - H ARG 74 2.55 10 0.26 0.71 +++ + *++++ + VdW CD2 LEU 73 - CG LEU 87 3.20 6 0.10 0.41 + + + +* + VdW O LEU 73 - C ARG 74 2.80 13 0.23 0.48 +++ + *++ ++++++ VdW O LEU 73 - O ARG 74 2.60 13 0.34 0.67 ++++ +++ +*+++ + VdW O LEU 73 - CE MET 83 2.90 12 0.29 0.63 + ++*++ + ++ + ++ VdW O LEU 73 - HE1 MET 83 2.30 7 0.15 0.75 ++++* ++ VdW N ARG 74 - HG3 ARG 74 2.45 10 0.20 0.36 ++ ++ ++* + ++ VdW CA ARG 74 - HD2 PRO 375 2.60 14 0.28 0.52 +* + +++ +++++ + ++ VdW HA ARG 74 - CD PRO 75 2.60 19 0.28 0.31 +++++ ++++++++++++*+ VdW HA ARG 74 - HA ARG 374 2.00 12 0.30 0.64 ++ ++ + +*++ + ++ VdW HA ARG 74 - HD2 PRO 375 2.00 7 0.21 0.91 ++ + + * ++ VdW CB ARG 74 - CG1 VAL 77 3.20 13 0.27 0.49 +*+ ++ + ++++ + ++ VdW CB ARG 74 - HG11 VAL 77 2.60 9 0.13 0.32 + + *+++ + ++ VdW CB ARG 74 - HG12 VAL 77 2.60 6 0.10 0.35 * + ++ + + VdW CB ARG 74 - CG2 VAL 77 3.20 8 0.18 0.51 + *+ + ++ + + VdW CB ARG 74 - HD2 PRO 375 2.60 8 0.18 0.61 ++ + +++* + VdW HB2 ARG 74 - HB VAL 77 2.00 6 0.10 0.44 * + + ++ + VdW HB2 ARG 74 - CG1 VAL 77 2.60 12 0.32 0.73 +++ + + ++*+ + ++ VdW HB2 ARG 74 - CG2 VAL 77 2.60 14 0.30 0.57 + * + +++++ ++++++ VdW O ARG 74 - CE MET 83 2.90 14 0.32 0.60 *+ +++ + ++++++ ++ VdW CA PRO 75 - NH2 ARG 370 3.10 9 0.20 0.59 + ++* + + + + + VdW HA PRO 75 - NH1 ARG 370 2.50 6 0.11 0.56 ++ * + ++ VdW HA PRO 75 - NH2 ARG 370 2.50 8 0.29 0.83 +++ + + *+ + VdW CB PRO 75 - CZ ARG 370 3.20 10 0.19 0.56 + + ++ +* ++++ VdW CB PRO 75 - NH2 ARG 370 3.10 9 0.22 0.73 + ++ *+ + +++ VdW HB3 PRO 75 - CZ ARG 370 2.60 12 0.38 0.91 + ++ ++ + +* ++++ VdW HB3 PRO 75 - NH2 ARG 370 2.50 10 0.35 1.01 + ++ *+ + + +++ VdW HG2 PRO 75 - H GLU 76 1.95 15 0.23 0.28 + + +++ ++* +++++++ VdW HG3 PRO 75 - O ARG 370 2.30 14 0.28 0.56 ++++ ++*++ +++ ++ VdW HD2 PRO 75 - CA ARG 374 2.60 17 0.31 0.56 +++ + +++++++++++ +* VdW HD2 PRO 75 - HA ARG 374 2.00 9 0.23 0.78 + + ++ * ++ ++ VdW HD2 PRO 75 - CB ARG 374 2.60 7 0.17 0.52 + + +++ + * VdW C PRO 75 - N VAL 77 2.95 20 0.34 0.41 ++*+++++++++++++++++ VdW C PRO 75 - H VAL 77 2.45 20 0.60 0.73 ++*+++++++++++++++++ VdW O PRO 75 - N VAL 77 2.75 20 0.41 0.61 ++*+++++++++++++++++ VdW O PRO 75 - N ARG 78 2.75 6 0.15 0.29 ++ ++ *+ VdW CG2 VAL 77 - C VAL 77 2.90 13 0.18 0.32 +++ *+ + ++++ + ++ VdW HB3 ARG 78 - H SER 79 1.95 6 0.13 0.28 + ++ + + * VdW O SER 79 - HG3 MET 83 2.30 8 0.18 0.83 + ++++ * + + VdW O SER 79 - SD MET 83 3.10 10 0.26 0.76 +++ * + ++++ + VdW H LYS 80 - HG2 LYS 80 1.95 7 0.12 0.30 * ++ + + + + VdW HA LYS 80 - NH1 ARG 370 2.50 6 0.16 0.70 ++ +* + + VdW HA LYS 80 - HH11 ARG 370 1.95 7 0.14 0.46 + ++ +* + + VdW HA LYS 80 - NH2 ARG 370 2.50 7 0.15 0.61 * + ++ + ++ VdW C LYS 80 - N GLN 82 2.95 7 0.18 0.35 +* ++ ++ + VdW C LYS 80 - H GLN 82 2.45 8 0.19 0.53 +* ++ ++ + + VdW C LYS 80 - CD1 LEU 84 3.10 6 0.10 0.29 +++* + + VdW O LYS 80 - N GLN 82 2.75 7 0.17 0.41 +* ++ ++ + VdW O LYS 80 - N MET 83 2.75 14 0.25 0.41 + ++ ++ * ++++++ ++ VdW O LYS 80 - CG LEU 84 2.90 8 0.14 0.37 + ++++ * ++ VdW O LYS 80 - HG LEU 84 2.30 11 0.31 0.82 + ++++++ +* + + VdW CB MET 83 - NH1 ARG 370 3.10 12 0.27 0.75 + +++++ + * + +++ VdW HB2 MET 83 - NH1 ARG 370 2.50 10 0.26 0.87 + *++++ + + + + VdW HB3 MET 83 - NH1 ARG 370 2.50 6 0.12 0.50 + * ++ + + VdW C MET 83 - N GLU 85 2.95 8 0.17 0.37 + +* + + +++ VdW O MET 83 - C LEU 84 2.80 14 0.22 0.32 ++ +++++ +++++*+ VdW O MET 83 - N GLU 85 2.75 13 0.23 0.56 + +*+++ + + + ++++ VdW O MET 83 - N LEU 86 2.75 20 0.38 0.53 +++*++++++++++++++++ VdW O MET 83 - H LEU 86 1.80 15 0.28 0.55 +++* + + + + +++++++ VdW O MET 83 - CG LEU 86 2.90 9 0.18 0.56 + ++ + * ++++ VdW O MET 83 - HG LEU 86 2.30 9 0.21 0.78 + +* + + ++++ VdW O MET 83 - CD1 LEU 86 2.90 9 0.22 0.62 + ++ + + ++*+ VdW O MET 83 - HD12 LEU 86 2.30 6 0.11 0.50 + + + + * + VdW O MET 83 - CD2 LEU 86 2.90 9 0.12 0.29 + ++++ ++* + VdW N LEU 84 - HG LEU 84 2.45 7 0.11 0.35 +++++ + * VdW N LEU 84 - CD1 LEU 84 3.05 8 0.17 0.57 + *+ ++ +++ VdW H LEU 84 - CG LEU 84 2.55 14 0.22 0.33 +++++++++ ++ ++ * VdW H LEU 84 - HG LEU 84 1.95 7 0.18 0.62 +++++ + * VdW H LEU 84 - CD1 LEU 84 2.55 8 0.27 0.85 + *+ ++ +++ VdW CB LEU 84 - HA GLU 367 2.60 17 0.38 0.75 + +++++*++++++ ++++ VdW HB2 LEU 84 - HA GLU 367 2.00 13 0.23 0.65 ++ ++++ * + + + ++ + VdW HB3 LEU 84 - CB ARG 370 2.60 6 0.14 0.37 + + +* ++ VdW CD1 LEU 84 - CZ ARG 370 3.20 7 0.20 0.63 + + +* +++ VdW O LEU 84 - HB2 LEU 87 2.30 9 0.14 0.35 ++ * ++++++ VdW O GLU 85 - CB LEU 89 2.90 10 0.24 0.65 +++ * + + +++ + VdW O GLU 85 - HB3 LEU 89 2.30 14 0.34 0.76 +++++ +++ ++*++ + VdW CD1 LEU 87 - CD1 LEU 387 3.20 6 0.09 0.35 * + + +++ VdW CD2 LEU 87 - CD1 LEU 387 3.20 10 0.14 0.37 + ++ + + *++++ VdW CD2 LEU 87 - CD2 LEU 387 3.20 7 0.14 0.55 + ++* ++ + VdW HA VAL 88 - HB3 GLN 91 2.00 6 0.14 0.39 + + + + * + VdW C VAL 88 - H GLN 91 2.45 7 0.14 0.35 + ++ * ++ + VdW O VAL 88 - C LEU 89 2.80 15 0.30 0.48 + + ++++ *+++ +++++ VdW O VAL 88 - N GLU 90 2.75 11 0.25 0.80 +++++++ + ++* VdW O VAL 88 - N GLN 91 2.75 18 0.49 0.85 + + +++++++++++++*++ VdW O VAL 88 - H GLN 91 1.80 13 0.31 0.79 + + +++* ++ +++++ VdW CA LEU 89 - CD PRO 112 3.20 13 0.27 0.54 ++++ + +* + ++ ++ + VdW CA LEU 89 - HD3 PRO 112 2.60 11 0.22 0.61 +++ + ++++ + *+ VdW HA LEU 89 - CD2 LEU 89 2.60 6 0.11 0.46 + *+ +++ VdW HA LEU 89 - CD PRO 112 2.60 19 0.57 0.98 ++++++ +*+++++++++++ VdW HA LEU 89 - CG PRO 112 2.60 8 0.16 0.52 ++ + + + * + + VdW HA LEU 89 - HD2 PRO 112 2.00 9 0.24 0.75 ++*+ + + + ++ VdW HA LEU 89 - HD3 PRO 112 2.00 11 0.28 0.85 +++ + +++ + *++ VdW CD2 LEU 89 - HD2 PRO 112 2.60 7 0.12 0.45 + + +++ * + VdW O LEU 89 - HA SER 111 2.30 10 0.25 0.61 + + ++ + + *++ + VdW O LEU 89 - CD PRO 112 2.90 7 0.16 0.69 + +* ++ + + VdW O LEU 89 - HD3 PRO 112 2.30 8 0.20 0.83 + ++ * + + ++ VdW CG GLN 91 - C GLN 91 2.90 18 0.22 0.24 +*+++++++ +++++++ ++ VdW CG GLN 91 - N PHE 92 3.05 19 0.32 0.40 +++*+++++ ++++++++++ VdW HG3 GLN 91 - N PHE 92 2.45 19 0.46 0.67 +++*+++++ ++++++++++ VdW HG3 GLN 91 - H PHE 92 1.95 9 0.20 0.40 + +* + + + +++ VdW HE21 GLN 91 - HA PHE 92 1.95 13 0.24 0.48 ++ + ++++ * ++++ + VdW O GLN 91 - C PHE 92 2.80 18 0.27 0.39 +++++++++ ++++++++* VdW CB PHE 92 - CB PRO 112 3.20 15 0.34 0.77 *++++++++++ ++++ VdW CB PHE 92 - HB3 PRO 112 2.60 20 0.67 1.25 +++*++++++++++++++++ VdW HB2 PHE 92 - HB3 PRO 112 2.00 14 0.29 0.59 ++++ ++ +++ *++++ VdW HB3 PHE 92 - CB PRO 112 2.60 6 0.13 0.61 *+ + + + + VdW HB3 PHE 92 - HB3 PRO 112 2.00 8 0.26 0.83 + *+ + + + + + VdW CG PHE 92 - CA PRO 112 3.20 11 0.22 0.45 ++ ++ +*+ ++++ VdW CG PHE 92 - HA PRO 112 2.60 10 0.23 0.60 + ++ +*+ ++++ VdW CG PHE 92 - CB PRO 112 3.20 10 0.28 0.90 *+ + +++ ++++ VdW CG PHE 92 - HB3 PRO 112 2.60 10 0.37 1.08 * ++ + + + ++++ VdW CG PHE 92 - CG GLN 359 3.20 8 0.18 0.79 +++ ++ * + + VdW CG PHE 92 - HG3 GLN 359 2.60 8 0.25 0.79 +++ ++ + + * VdW CD1 PHE 92 - C PHE 92 3.10 11 0.24 0.55 + ++++ +* + ++ + VdW CD1 PHE 92 - CG GLN 359 3.20 7 0.21 1.04 + + ++ * + + VdW CD1 PHE 92 - HG3 GLN 359 2.60 8 0.28 1.19 +++ ++ * + + VdW HD1 PHE 92 - C PHE 92 2.50 11 0.30 0.73 + ++++ +* + ++ + VdW HD1 PHE 92 - N LEU 93 2.45 10 0.23 0.66 + + ++ +* + ++ + VdW CE1 PHE 92 - HB2 GLN 359 2.60 6 0.24 1.41 ++ + + + * VdW CE1 PHE 92 - CG GLN 359 3.20 8 0.23 0.84 + + ++ * ++ + VdW CE1 PHE 92 - HG3 GLN 359 2.60 7 0.27 1.30 +++ ++ * + VdW CE1 PHE 92 - CD GLN 359 3.10 8 0.23 0.80 * ++ + ++ + + VdW CE1 PHE 92 - OE1 GLN 359 2.90 8 0.19 0.59 + ++ + *+ + + VdW CZ PHE 92 - HG2 PRO 358 2.60 7 0.11 0.42 +++ ++ * + VdW CZ PHE 92 - HB2 GLN 359 2.60 8 0.21 1.18 ++ + * ++ ++ VdW CZ PHE 92 - CG GLN 359 3.20 11 0.29 0.77 +++ *+ + +++ + + VdW CZ PHE 92 - HG3 GLN 359 2.60 8 0.22 1.03 +++ *+ + + + VdW CZ PHE 92 - CD GLN 359 3.10 20 0.53 0.77 +++++++++++++++++*++ VdW CZ PHE 92 - NE2 GLN 359 3.05 14 0.34 0.75 +++++ ++ ++ ++ +*+ VdW HZ PHE 92 - CB ALA 116 2.60 8 0.19 0.70 ++ *++ + + + VdW HZ PHE 92 - CG PRO 358 2.60 7 0.14 0.56 ++* ++ + + VdW HZ PHE 92 - HG2 PRO 358 2.00 8 0.22 0.69 ++* ++ + + + VdW HZ PHE 92 - CD GLN 359 2.50 7 0.16 0.65 + * +++ ++ VdW HZ PHE 92 - NE2 GLN 359 2.45 12 0.29 0.71 ++ +++ +++ ++*+ VdW CE2 PHE 92 - CA GLN 359 3.20 6 0.12 0.51 + + + * + + VdW CE2 PHE 92 - CB GLN 359 3.20 7 0.22 0.92 ++* ++ ++ VdW CE2 PHE 92 - HB2 GLN 359 2.60 7 0.31 1.33 +++ ++ +* VdW CE2 PHE 92 - CG GLN 359 3.20 11 0.24 0.82 +++ *+ + +++ + + VdW CE2 PHE 92 - HG3 GLN 359 2.60 7 0.21 1.10 +++ +* + + VdW CE2 PHE 92 - CD GLN 359 3.10 10 0.25 0.78 +* +++ ++ + ++ VdW CE2 PHE 92 - OE1 GLN 359 2.90 7 0.19 0.60 ++ +* + + + VdW HE2 PHE 92 - C GLN 359 2.50 7 0.22 0.83 ++* ++ ++ VdW HE2 PHE 92 - N GLU 360 2.45 7 0.23 0.82 +++ *+ ++ VdW CD2 PHE 92 - C PHE 92 3.10 9 0.18 0.53 ++ +++ + + + * VdW CD2 PHE 92 - CB PRO 112 3.20 6 0.19 0.88 ++ ++ +* VdW CD2 PHE 92 - CG GLN 359 3.20 7 0.18 0.78 ++ +* + + + VdW CD2 PHE 92 - HG3 GLN 359 2.60 7 0.23 1.19 +++ +* + + VdW HD2 PHE 92 - C PHE 92 2.50 9 0.22 0.67 ++ *++ + + + + VdW HD2 PHE 92 - N LEU 93 2.45 9 0.20 0.54 ++ +++ + + * + VdW C PHE 92 - N GLY 94 2.95 20 0.41 0.56 +++++*++++++++++++++ VdW C PHE 92 - H GLY 94 2.45 14 0.38 0.70 +++ +*+ + +++ +++ + VdW C PHE 92 - H ALA 95 2.45 12 0.21 0.34 + ++ +++ ++ ++* + VdW O PHE 92 - C LEU 93 2.80 20 0.43 0.48 +++++++++++++++*++++ VdW O PHE 92 - N GLY 94 2.75 20 0.90 1.26 +++++*++++++++++++++ VdW O PHE 92 - H GLY 94 1.80 9 0.29 0.94 +++ *+ + ++ + VdW O PHE 92 - CA GLY 94 2.90 11 0.22 0.43 +++ *+ + + +++ + VdW O PHE 92 - N ALA 95 2.75 20 0.63 0.87 +++++++++*++++++++++ VdW O PHE 92 - H ALA 95 1.80 19 0.56 0.89 +++++ +++++++++++*++ VdW CA LEU 93 - CD2 LEU 93 3.00 6 0.11 0.26 + * + + + + VdW HA LEU 93 - CD2 LEU 93 2.60 6 0.14 0.50 ++ * ++ + VdW C GLY 94 - H LEU 96 2.45 18 0.33 0.56 + +++++++++*+++ ++++ VdW O GLY 94 - N LEU 96 2.75 11 0.21 0.51 + ++++ * ++ + ++ VdW O GLY 94 - H LEU 96 1.80 9 0.15 0.47 + ++ * ++ + ++ VdW CB ALA 95 - HG2 GLN 359 2.60 7 0.19 0.70 ++ + +++* VdW HB2 ALA 95 - CG GLN 359 2.60 6 0.14 0.56 *+ + + + + VdW HB2 ALA 95 - HG2 GLN 359 2.00 7 0.17 0.61 +* + + +++ VdW C ALA 95 - HG LEU 96 2.50 7 0.15 0.48 + + + * + + + VdW O ALA 95 - CG LEU 96 2.90 10 0.16 0.38 ++ + *+ +++++ VdW O ALA 95 - HG LEU 96 2.30 12 0.24 0.60 + + +*+ +++++++ VdW O ALA 95 - CD GLN 359 2.80 6 0.13 0.60 ++ + * ++ VdW O ALA 95 - OE1 GLN 359 2.60 7 0.17 0.62 ++ + + * ++ VdW HA LEU 96 - CD PRO 97 2.60 13 0.21 0.28 ++ +* + ++ ++++++ VdW HB3 LEU 96 - HB2 GLN 101 2.00 6 0.11 0.44 + ++ +* + VdW HG LEU 96 - OE1 GLN 359 2.30 6 0.18 0.94 + + + + *+ VdW CD1 LEU 96 - CG1 VAL 119 3.20 7 0.15 0.43 + *+ ++ ++ VdW CD2 LEU 96 - CG1 VAL 119 3.20 8 0.15 0.49 + + + ++ + *+ VdW CD2 LEU 96 - NE2 GLN 359 3.05 8 0.15 0.48 + ++* ++ ++ VdW C LEU 96 - HB2 GLN 101 2.50 6 0.16 0.35 + *+ +++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 6 0.16 0.31 + *++ + + VdW HG2 PRO 97 - HG12 ILE 100 2.00 13 0.21 0.38 ++ ++++ +++ ++ + * VdW HD2 PRO 97 - CG1 ILE 100 2.60 6 0.16 0.34 + + *+ + + VdW HD2 PRO 97 - CD1 ILE 100 2.60 11 0.20 0.38 +*++ ++ ++ + + + VdW O PRO 97 - CB GLN 101 2.90 20 0.39 0.54 +++++++++*++++++++++ VdW O PRO 97 - HB3 GLN 101 2.30 11 0.18 0.33 + + +++ +++*++ VdW H GLU 99 - HG2 GLU 99 1.95 8 0.19 0.26 ++ ++*+ + + VdW H ILE 100 - HG12 ILE 100 1.95 7 0.15 0.23 + + + ++ + * VdW O GLN 101 - HG23 VAL 104 2.30 6 0.10 0.43 + * + ++ + VdW CG2 VAL 104 - N GLN 105 3.05 7 0.15 0.34 + + + + + +* VdW N ARG 108 - CD PRO 109 3.05 6 0.13 0.45 + + +* ++ VdW HG2 PRO 109 - H GLY 110 1.95 8 0.15 0.28 +++ + + *+ + VdW CA PRO 112 - CG GLN 359 3.20 6 0.10 0.37 ++ + + * + VdW HA PRO 112 - CG GLN 359 2.60 6 0.18 0.76 ++ ++ * + VdW HA PRO 112 - HG2 GLN 359 2.00 6 0.17 0.67 +++ +* + VdW CB PRO 112 - CB ALA 363 3.20 9 0.18 0.77 ++ ++++ + * + VdW HB2 PRO 112 - CB ALA 363 2.60 9 0.24 0.64 *+ +++++ + + VdW HB2 PRO 112 - HB3 ALA 363 2.00 7 0.12 0.42 + *+ + ++ + VdW CG PRO 112 - CB ALA 363 3.20 11 0.31 0.90 + + ++ + + *++++ VdW CG PRO 112 - HB1 ALA 363 2.60 10 0.24 0.79 + ++ ++ *++++ VdW CG PRO 112 - HB2 ALA 363 2.60 6 0.14 0.57 + + * +++ VdW HG2 PRO 112 - CB ALA 363 2.60 12 0.35 0.87 +++ + + * +++ +++ VdW HG2 PRO 112 - HB1 ALA 363 2.00 8 0.23 0.75 + ++ +* +++ VdW HG2 PRO 112 - HB2 ALA 363 2.00 6 0.12 0.50 ++ + *+ + VdW C PRO 112 - CB GLN 359 3.10 8 0.19 0.70 +++ ++ * + + VdW C PRO 112 - HB3 GLN 359 2.50 8 0.30 0.89 *++ ++ + + + VdW O PRO 112 - CB GLN 359 2.90 6 0.16 0.70 *+ ++ + + VdW H GLU 113 - HG3 GLU 113 1.95 7 0.17 0.60 + + + *+ + + VdW HA GLU 113 - CA GLU 360 2.60 6 0.07 0.33 + + * ++ + VdW CG GLU 113 - HG2 GLN 364 2.60 6 0.12 0.49 + + + + * + VdW HG2 GLU 113 - HG2 GLN 364 2.00 6 0.15 0.63 + ++ + * + VdW HG3 GLU 113 - CB ALA 363 2.60 6 0.13 0.44 + ++ + + * VdW O GLU 113 - OE2 GLU 360 2.60 7 0.17 0.68 ++ ++ *+ + VdW H GLU 114 - CG GLU 114 2.55 9 0.15 0.36 + + +++* + + + VdW O GLU 114 - HG LEU 118 2.30 18 0.36 0.63 + +++++++*++ +++++++ VdW CB ALA 115 - OE1 GLN 359 2.90 8 0.18 0.67 +++ ++ * + + VdW HB3 ALA 115 - OE1 GLN 359 2.30 6 0.13 0.50 +* ++ + + VdW N ALA 116 - NE2 GLN 359 2.90 7 0.15 0.70 +++ + * + + VdW H ALA 116 - HB2 GLN 359 1.95 7 0.22 0.90 ++* ++ + + VdW CA ALA 116 - CG1 VAL 119 3.20 6 0.12 0.29 ++ ++ * + VdW CA ALA 116 - NE2 GLN 359 3.05 10 0.26 0.63 +++ ++ +* + + + VdW CA ALA 116 - HE21 GLN 359 2.55 6 0.10 0.37 +* + + + + VdW HA ALA 116 - CG1 VAL 119 2.60 14 0.23 0.40 * ++++++ ++++++ + VdW HA ALA 116 - NE2 GLN 359 2.45 14 0.34 0.75 +++++*+ ++++++ + VdW HA ALA 116 - HE22 GLN 359 1.95 13 0.27 0.56 + *++++++ +++ ++ VdW CB ALA 116 - HA3 GLY 357 2.60 11 0.23 0.57 ++ ++ +++ +*++ VdW CB ALA 116 - N GLN 359 3.05 7 0.11 0.42 ++* ++ + + VdW CB ALA 116 - HB2 GLN 359 2.60 8 0.16 0.57 +*+ ++ + + + VdW CB ALA 116 - N GLU 360 3.05 7 0.16 0.44 ++ +* + + + VdW CB ALA 116 - H GLU 360 2.55 18 0.43 0.79 +++++*++ ++++++ ++++ VdW CB ALA 116 - CB GLU 360 3.20 9 0.18 0.54 + +++ * ++++ VdW CB ALA 116 - HB2 GLU 360 2.60 9 0.15 0.58 ++ +*+ ++ ++ VdW HB1 ALA 116 - H GLU 360 1.95 9 0.17 0.81 * ++ + + + + + + VdW HB3 ALA 116 - H GLU 360 1.95 6 0.18 0.76 * ++ ++ + VdW C ALA 116 - HG13 VAL 119 2.50 6 0.12 0.51 + + + + * + VdW C ALA 116 - HA3 GLY 357 2.50 12 0.30 0.64 ++ ++ ++ +++*++ VdW O ALA 116 - HG11 VAL 119 2.30 6 0.12 0.64 + ++ + + * VdW O ALA 116 - HG13 VAL 119 2.30 6 0.15 0.62 + + + + +* VdW O ALA 116 - CA GLY 357 2.90 6 0.11 0.40 ++ ++ + * VdW N ALA 117 - O THR 356 2.75 10 0.20 0.57 +++ ++ +* + + + VdW H LEU 118 - CG LEU 118 2.55 8 0.15 0.29 + *++ + +++ VdW H LEU 118 - HG LEU 118 1.95 6 0.12 0.29 * + + +++ VdW N VAL 119 - CG1 VAL 119 2.85 14 0.19 0.24 + +++*++ +++ ++++ VdW H VAL 119 - CG1 VAL 119 2.55 17 0.31 0.44 * ++++++ ++++++++++ VdW CG2 VAL 119 - C VAL 119 2.90 17 0.26 0.33 + +++*++ ++++++++++ VdW HB3 ASP 120 - O GLU 354 2.30 6 0.11 0.47 ++ *+ + + VdW CG ASP 120 - HA GLU 354 2.50 6 0.12 0.32 * + + + ++ VdW CG ARG 123 - C ARG 123 2.90 6 0.07 0.24 + * + ++ + VdW O ALA 343 - HB3 PHE 347 2.30 6 0.18 0.28 + ++ + * + VdW HA ARG 344 - HB3 PHE 347 2.00 7 0.18 0.31 +* + + + ++ VdW HB2 PHE 347 - CB LEU 368 2.60 9 0.19 0.43 ++ ++ * ++++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 7 0.14 0.41 + +++ * ++ VdW CG PHE 347 - C PHE 347 2.90 17 0.22 0.24 + +++*+++ +++++++++ VdW CG PHE 347 - SG CYS 369 3.40 11 0.18 0.36 ++++ + + + + +*+ VdW CD1 PHE 347 - SG CYS 369 3.40 10 0.21 0.52 *+ + ++ +++ + + VdW HD1 PHE 347 - O LEU 365 2.30 6 0.11 0.52 + + ++ *+ VdW CE1 PHE 347 - HB2 LEU 365 2.60 7 0.14 0.41 * ++ + + ++ VdW CE1 PHE 347 - SG CYS 369 3.40 7 0.19 0.69 + ++ *+ ++ VdW CE1 PHE 347 - O LEU 387 2.90 13 0.26 0.61 + ++ ++ + + +* ++ ++ VdW HE1 PHE 347 - HB2 LEU 365 2.00 8 0.14 0.45 + + * + ++ + + VdW HE1 PHE 347 - O LEU 387 2.30 9 0.25 0.76 + ++ + + * ++ + VdW CZ PHE 347 - CB GLN 391 3.20 15 0.31 0.56 +++ +++* ++++++++ VdW CZ PHE 347 - HB2 GLN 391 2.60 8 0.20 0.66 ++ *++ ++ + VdW CZ PHE 347 - HB3 GLN 391 2.60 10 0.20 0.54 + + + ++ +*+ ++ VdW CE2 PHE 347 - O LEU 387 2.90 6 0.12 0.48 + + + + * + VdW HE2 PHE 347 - HB2 LEU 365 2.00 7 0.11 0.39 + + + + + * + VdW CD2 PHE 347 - SG CYS 369 3.40 6 0.15 0.41 * + + + + + VdW HA PHE 350 - HD1 PHE 350 2.00 8 0.12 0.37 +*+ + + ++ + VdW HA PHE 350 - HD2 PHE 350 2.00 7 0.11 0.38 ++ +* + ++ VdW HB3 PHE 350 - O ALA 361 2.30 9 0.18 0.53 *++++ + + ++ VdW HB3 PHE 350 - CD GLN 391 2.50 7 0.14 0.55 ++ *+ ++ + VdW CG PHE 350 - HA ALA 361 2.60 9 0.24 0.71 +* ++ + + +++ VdW CG PHE 350 - O ALA 361 2.90 9 0.23 0.86 +++ + + +* + + VdW CG PHE 350 - HG3 GLN 364 2.60 6 0.14 0.48 *++ + + + VdW CD1 PHE 350 - HA ALA 361 2.60 6 0.16 0.70 + * + +++ VdW CD1 PHE 350 - C ALA 361 3.10 10 0.35 0.91 ++* +++ ++ ++ VdW CD1 PHE 350 - O ALA 361 2.90 7 0.30 1.15 +++ +* + + VdW CD1 PHE 350 - HG3 GLN 364 2.60 7 0.15 0.75 + + + + ++ * VdW HD1 PHE 350 - C ALA 361 2.50 10 0.25 0.90 +++ +++ ++ +* VdW HD1 PHE 350 - O ALA 361 2.30 10 0.27 0.76 +++ +++ ++ *+ VdW CE1 PHE 350 - C GLU 360 3.10 8 0.22 0.73 +++ + ++ +* VdW CE1 PHE 350 - O GLU 360 2.90 9 0.30 1.15 + ++ +++ *++ VdW CE1 PHE 350 - HG3 GLN 364 2.60 7 0.18 0.64 + ++ * + + + VdW CZ PHE 350 - CA GLU 360 3.20 7 0.15 0.55 +++ + + +* VdW CZ PHE 350 - C GLU 360 3.10 12 0.38 0.89 ++* ++ ++ + + +++ VdW CZ PHE 350 - O GLU 360 2.90 14 0.53 1.33 +++ +++ ++ * ++ +++ VdW CZ PHE 350 - CG GLN 364 3.20 15 0.35 0.74 *++++++ ++++ ++ + + VdW CZ PHE 350 - HG3 GLN 364 2.60 12 0.38 1.06 +++ ++ ++ + * ++ + VdW CZ PHE 350 - HE21 GLN 364 2.55 7 0.15 0.57 ++ ++ + * + VdW HZ PHE 350 - CA GLU 360 2.60 7 0.13 0.48 +*+ + + + + VdW HZ PHE 350 - HA GLU 360 2.00 7 0.17 0.65 +*+ + + + + VdW CE2 PHE 350 - C GLU 360 3.10 11 0.26 0.73 ++++* ++ + + + + VdW CE2 PHE 350 - O GLU 360 2.90 16 0.55 1.07 ++++*+ ++++ + +++++ VdW CE2 PHE 350 - CG GLN 364 3.20 11 0.26 0.66 +++++ + ++* ++ VdW CE2 PHE 350 - HG3 GLN 364 2.60 10 0.33 1.09 +++++ + + * ++ VdW HE2 PHE 350 - O GLU 360 2.30 7 0.22 0.90 +* ++ + ++ VdW CD2 PHE 350 - O GLU 360 2.90 6 0.13 0.68 + ++ ++ * VdW CD2 PHE 350 - CA ALA 361 3.20 8 0.22 0.66 +++ ++ +* + VdW CD2 PHE 350 - HA ALA 361 2.60 7 0.21 0.90 +++ ++ +* VdW CD2 PHE 350 - C ALA 361 3.10 9 0.25 0.88 +++* + + ++ + VdW CD2 PHE 350 - O ALA 361 2.90 7 0.30 1.09 ++* + ++ + VdW CD2 PHE 350 - HG3 GLN 364 2.60 8 0.20 0.85 *+++ + ++ + VdW HD2 PHE 350 - C ALA 361 2.50 8 0.20 0.74 ++*+++ + + VdW HD2 PHE 350 - O ALA 361 2.30 10 0.36 0.97 +*++++ + ++ + VdW CA HIS 351 - O GLY 394 2.90 7 0.18 0.33 ++ + * ++ + VdW HA HIS 351 - O GLY 394 2.30 11 0.25 0.57 ++ + ++ *+++ ++ VdW N TYR 352 - CB ALA 361 3.05 6 0.15 0.58 + + + +* + VdW CA TYR 352 - O GLY 357 2.90 12 0.29 0.67 ++++++ + + +++* VdW HA TYR 352 - O GLY 357 2.30 15 0.40 0.93 + +++++++ + + +++*+ VdW CB TYR 352 - O GLY 357 2.90 13 0.29 0.57 +*++++ + ++ ++++ VdW CB TYR 352 - CA PRO 358 3.20 7 0.12 0.37 + + + *+++ VdW CB TYR 352 - HA PRO 358 2.60 17 0.40 0.68 ++ +++ +++ ++++++*++ VdW CB TYR 352 - C ALA 395 3.10 13 0.30 0.51 ++ ++ +++ + + + ++* VdW CB TYR 352 - O ALA 395 2.90 7 0.17 0.66 + ++ *+ + + VdW HB2 TYR 352 - CA PRO 358 2.60 11 0.23 0.47 * +++ + + +++++ VdW HB2 TYR 352 - HA PRO 358 2.00 19 0.45 0.74 ++++ ++++++*++++++++ VdW HB3 TYR 352 - C ALA 395 2.50 17 0.44 0.94 +++++++++ + ++++++* VdW HB3 TYR 352 - O ALA 395 2.30 7 0.20 0.79 ++ + ++ + * VdW HB3 TYR 352 - N LEU 396 2.45 16 0.38 0.62 + +++++++ + ++++*++ VdW HB3 TYR 352 - CA LEU 396 2.60 13 0.26 0.53 + + ++++++ * ++++ VdW CG TYR 352 - C GLY 357 3.10 13 0.24 0.56 + + +++ + + ++ * +++ VdW CG TYR 352 - O GLY 357 2.90 7 0.15 0.53 * + + ++ + + VdW CG TYR 352 - CA PRO 358 3.20 11 0.25 0.58 +++ +* ++++ ++ VdW CG TYR 352 - HA PRO 358 2.60 15 0.38 0.88 + +++ ++* ++++++++ VdW CG TYR 352 - HD3 PRO 397 2.60 10 0.19 0.51 ++ ++* +++ ++ VdW CD1 TYR 352 - C TYR 352 3.10 10 0.34 0.78 + + + * ++++++ VdW CD1 TYR 352 - N GLU 353 3.05 7 0.13 0.51 + + + + +*+ VdW CD1 TYR 352 - N PRO 358 3.05 10 0.19 0.69 +++ +++* + + + VdW CD1 TYR 352 - CA PRO 358 3.20 10 0.30 0.94 +++ *+++ + + + VdW CD1 TYR 352 - HA PRO 358 2.60 8 0.26 1.24 +++ * + + + + VdW CD1 TYR 352 - CB PRO 358 3.20 7 0.16 0.65 + ++ + + * + VdW CD1 TYR 352 - HD3 PRO 397 2.60 6 0.11 0.44 + ++ ++ * VdW HD1 TYR 352 - C TYR 352 2.50 10 0.43 1.05 + + + * ++++++ VdW HD1 TYR 352 - O TYR 352 2.30 7 0.16 0.68 * + + + + + + VdW HD1 TYR 352 - N GLU 353 2.45 9 0.29 0.82 + + + * ++ +++ VdW HD1 TYR 352 - CA PRO 358 2.60 7 0.20 1.29 + + +* + + + VdW HD1 TYR 352 - CB PRO 358 2.60 7 0.16 0.92 ++ + + + * + VdW HD1 TYR 352 - HB3 PRO 358 2.00 7 0.16 1.02 ++ + + + * + VdW CE1 TYR 352 - HD3 PRO 358 2.60 6 0.15 0.71 +++ ++ * VdW CD2 TYR 352 - C TYR 352 3.10 10 0.33 0.75 +++ ++*+ + + + VdW CD2 TYR 352 - N GLU 353 3.05 9 0.13 0.39 +++ + +* + + + VdW CD2 TYR 352 - N PRO 358 3.05 9 0.21 0.76 + + + + +*+++ VdW CD2 TYR 352 - CA PRO 358 3.20 10 0.37 0.95 * + + + ++++++ VdW CD2 TYR 352 - HA PRO 358 2.60 10 0.34 1.10 * + + + ++++++ VdW CD2 TYR 352 - CB PRO 358 3.20 9 0.20 0.60 + + + +++*++ VdW CD2 TYR 352 - HB3 PRO 358 2.60 8 0.17 0.57 + + + ++ *++ VdW CD2 TYR 352 - HD3 PRO 397 2.60 6 0.10 0.39 * ++ + + + VdW HD2 TYR 352 - C TYR 352 2.50 10 0.44 1.03 +++ ++*+ + + + VdW HD2 TYR 352 - N GLU 353 2.45 10 0.30 0.75 +++ *+++ + + + VdW HD2 TYR 352 - CA PRO 358 2.60 8 0.29 1.27 + + + + +*++ VdW HD2 TYR 352 - HA PRO 358 2.00 8 0.27 1.19 * + + + ++++ VdW HD2 TYR 352 - CB PRO 358 2.60 8 0.21 0.70 + * + +++++ VdW HD2 TYR 352 - HB3 PRO 358 2.00 8 0.17 0.56 + + + ++ +*+ VdW O TYR 352 - N PRO 397 2.75 6 0.10 0.45 + + ++ + * VdW N GLU 353 - HG2 GLU 353 2.45 8 0.18 0.38 + + ++* + + + VdW C GLU 353 - N ALA 355 2.95 6 0.17 0.33 + ++*+ + VdW C GLU 353 - H ALA 355 2.45 9 0.21 0.51 + + +++ *+ ++ VdW O GLU 353 - N GLY 357 2.75 7 0.15 0.28 + * +++ ++ VdW CG2 THR 356 - C THR 356 2.90 12 0.19 0.32 ++ + +++ ++ *+++ VdW CG2 THR 356 - CG GLU 360 3.20 11 0.19 0.37 + + ++ + ++ +++* VdW CG2 THR 356 - HG2 GLU 360 2.60 9 0.24 0.53 + ++* ++ +++ VdW O THR 356 - C GLY 357 2.80 6 0.09 0.35 +*+ + + + VdW O THR 356 - O GLY 357 2.60 6 0.17 0.66 +++ + + * VdW O THR 356 - OE2 GLU 360 2.60 8 0.19 0.61 ++ ++ ++ +* VdW CB PRO 358 - H GLN 359 2.55 9 0.13 0.27 + ++ *++ ++ + VdW HG2 PRO 358 - H GLN 359 1.95 8 0.19 0.26 +++ * ++ ++ VdW HG2 PRO 358 - NE2 GLN 359 2.45 14 0.32 0.69 + +++++* ++ +++++ VdW HG2 PRO 358 - HE21 GLN 359 1.95 7 0.18 0.60 ++ + + + *+ VdW O PRO 358 - N ALA 361 2.75 6 0.13 0.51 *+ + + + + VdW O PRO 358 - CB ALA 395 2.90 7 0.18 0.53 ++ *+ + + + VdW N GLN 359 - HG3 GLN 359 2.45 7 0.12 0.42 ++ + + * ++ VdW H GLN 359 - CG GLN 359 2.55 12 0.21 0.41 ++ +++ ++* ++++ VdW H GLN 359 - HG3 GLN 359 1.95 7 0.18 0.68 ++ + + * ++ VdW H GLN 359 - HE21 GLN 359 1.90 9 0.24 0.77 ++++ *+ + + + VdW C GLN 359 - N ALA 361 2.95 9 0.17 0.38 +++ + +* + ++ VdW C GLN 359 - H ALA 361 2.45 11 0.31 0.67 +++ ++ ++ + +*+ VdW O GLN 359 - N ALA 361 2.75 8 0.18 0.50 +++ + ++ + * VdW HG3 GLU 360 - O GLU 360 2.30 7 0.13 0.56 + + ++ +* + VdW O GLU 360 - N ALA 363 2.75 6 0.14 0.66 ++ ++ + * VdW CB ALA 361 - CA ALA 395 3.20 15 0.31 0.53 ++ *++ ++ ++++ + +++ VdW CB ALA 361 - HA ALA 395 2.60 16 0.32 0.66 ++++++++ +++* +++ + VdW CB ALA 361 - CB ALA 395 3.20 14 0.32 0.69 ++++* ++ + +++ +++ VdW HB1 ALA 361 - CA ALA 395 2.60 9 0.22 0.62 + + ++ +* ++ + VdW HB1 ALA 361 - HA ALA 395 2.00 10 0.26 0.81 * ++++++++ + VdW HB1 ALA 361 - CB ALA 395 2.60 10 0.18 0.42 ++ *+ + + ++ ++ VdW HB2 ALA 361 - CB ALA 395 2.60 6 0.13 0.52 + ++ * ++ VdW HB3 ALA 361 - HA ALA 395 2.00 7 0.15 0.59 *++ + +++ VdW HB3 ALA 361 - CB ALA 395 2.60 6 0.11 0.55 + + + + * + VdW O ALA 361 - CG LEU 365 2.90 6 0.11 0.42 ++ ++*+ VdW O ALA 361 - HG LEU 365 2.30 7 0.16 0.57 + + + +++* VdW O ALA 361 - CD1 LEU 365 2.90 8 0.19 0.87 + ++ * ++++ VdW O ALA 361 - NE2 GLN 391 2.75 8 0.16 0.49 + +++ *+ + + VdW N LEU 362 - CD1 LEU 362 3.05 8 0.25 0.80 + + + + + +*+ VdW N LEU 362 - HD13 LEU 362 2.45 6 0.12 0.73 + * + + ++ VdW CA LEU 362 - CG LEU 365 3.20 7 0.14 0.52 +++ + +* + VdW CA LEU 362 - CD1 LEU 365 3.20 8 0.15 0.41 * + + + + +++ VdW CA LEU 362 - CD2 LEU 365 3.20 9 0.23 0.61 +++ ++ +++ * VdW HA LEU 362 - CG LEU 365 2.60 12 0.23 0.66 ++ +++ ++ + *+ + + VdW HA LEU 362 - HG LEU 365 2.00 8 0.15 0.42 ++ ++ ++ + * VdW HA LEU 362 - CD2 LEU 365 2.60 11 0.32 1.06 ++++ ++ +++ + * VdW CG LEU 362 - CD1 PHE 392 3.20 6 0.12 0.56 + ++ + +* VdW CG LEU 362 - HD1 PHE 392 2.60 7 0.14 0.51 + ++ * + ++ VdW CG LEU 362 - HD2 PHE 392 2.60 6 0.15 0.73 + + + ++ * VdW HG LEU 362 - HB2 PHE 392 2.00 8 0.19 0.62 + ++ + * +++ VdW CD1 LEU 362 - CD2 PHE 392 3.20 7 0.21 1.07 + + + + *+ + VdW CD1 LEU 362 - HD2 PHE 392 2.60 6 0.19 0.98 + + + *+ + VdW CD2 LEU 362 - CD1 PHE 392 3.20 7 0.19 0.75 + + + + + +* VdW CD2 LEU 362 - HD1 PHE 392 2.60 7 0.19 0.88 + + * + + ++ VdW CD2 LEU 362 - CD2 PHE 392 3.20 7 0.20 0.77 + ++ * + + + VdW CD2 LEU 362 - HD2 PHE 392 2.60 7 0.27 1.08 ++ + * ++ + VdW C LEU 362 - CG LEU 365 3.10 6 0.16 0.58 +++ + + * VdW C LEU 362 - HG LEU 365 2.50 6 0.13 0.63 +++ + + * VdW C LEU 362 - CD1 LEU 365 3.10 19 0.59 0.82 ++++++++++++ +++++*+ VdW C LEU 362 - HD11 LEU 365 2.50 7 0.24 0.90 * + + + +++ VdW C LEU 362 - HD12 LEU 365 2.50 10 0.28 0.89 ++++ ++ *+ ++ VdW O LEU 362 - CG LEU 365 2.90 7 0.19 0.78 +++ ++ + * VdW O LEU 362 - CD1 LEU 365 2.90 13 0.41 0.97 +++ + + ++* ++++ + VdW O LEU 362 - HD12 LEU 365 2.30 9 0.32 0.95 ++ ++ +* ++ + VdW O LEU 362 - CD2 LEU 365 2.90 7 0.16 0.56 + ++ + *+ + VdW O LEU 362 - HD22 LEU 365 2.30 6 0.10 0.41 + ++ + *+ VdW N ALA 363 - CD1 LEU 365 3.05 13 0.28 0.66 ++++++ ++ + +++* VdW N ALA 363 - HD11 LEU 365 2.45 7 0.16 0.60 + + + + *++ VdW C ALA 363 - CD1 LEU 365 3.10 8 0.24 0.78 ++ ++ + +* + VdW O ALA 363 - CD1 LEU 365 2.90 6 0.11 0.48 ++ * + ++ VdW O ALA 363 - HD11 LEU 365 2.30 6 0.13 0.50 + ++ + * + VdW O ALA 363 - CG ARG 366 2.90 10 0.31 0.87 + +++ + + +++* VdW O ALA 363 - HG2 ARG 366 2.30 7 0.13 0.43 + ++* + + + VdW O ALA 363 - HG3 ARG 366 2.30 10 0.26 0.88 ++ +++ + ++*+ VdW O ALA 363 - HD3 ARG 366 2.30 6 0.13 0.56 + ++ ++* VdW N GLN 364 - HG2 GLN 364 2.45 8 0.15 0.31 +++ * + + + + VdW H GLN 364 - CG GLN 364 2.55 6 0.15 0.31 ++ ++ + * VdW H GLN 364 - HG2 GLN 364 1.95 10 0.20 0.52 ++++ + *++ + + VdW O GLN 364 - C LEU 365 2.80 12 0.22 0.41 + *+ +++ +++++ + VdW N LEU 365 - CD1 LEU 365 3.05 14 0.49 0.93 ++++++ ++ + +*+++ VdW N LEU 365 - HD11 LEU 365 2.45 6 0.17 1.02 + +++ + * VdW N LEU 365 - HD13 LEU 365 2.45 9 0.30 0.94 +*+ ++ + +++ VdW H LEU 365 - CD1 LEU 365 2.55 13 0.34 1.01 ++++++ +* + ++++ VdW CA LEU 365 - CD1 LEU 365 3.00 7 0.13 0.26 +* + + + + + VdW CB LEU 365 - CG GLN 391 3.20 13 0.27 0.48 ++++* +++ ++++ + VdW CB LEU 365 - HG2 GLN 391 2.60 18 0.52 0.83 ++++++*++ +++++++ ++ VdW HB2 LEU 365 - HG2 GLN 391 2.00 6 0.13 0.47 * + + + + + VdW HB3 LEU 365 - CG GLN 391 2.60 8 0.19 0.66 +*+ + + ++ + VdW HB3 LEU 365 - HG2 GLN 391 2.00 9 0.19 0.61 +++ +++ + + * VdW CG LEU 365 - CG GLN 391 3.20 16 0.38 0.68 +++++*++ ++ + +++++ VdW CG LEU 365 - HG2 GLN 391 2.60 15 0.51 1.05 + ++++++ ++ + *++++ VdW HG LEU 365 - CG GLN 391 2.60 11 0.33 0.79 + ++++ ++ + * ++ VdW HG LEU 365 - HG2 GLN 391 2.00 9 0.24 0.90 ++++ + + * ++ VdW HG LEU 365 - CD GLN 391 2.50 7 0.17 0.76 ++ ++ + + * VdW CD1 LEU 365 - N ARG 366 3.05 7 0.13 0.41 + + + ++ + * VdW CD1 LEU 365 - H ARG 366 2.55 14 0.34 0.84 +++++ + + + ++*+ ++ VdW HD13 LEU 365 - N ARG 366 2.45 6 0.13 0.47 * ++ ++ + VdW HD13 LEU 365 - H ARG 366 1.95 7 0.17 0.71 ++ * +++ + VdW CD2 LEU 365 - CB VAL 388 3.20 11 0.31 0.77 +++*+ + ++ + ++ VdW CD2 LEU 365 - HB VAL 388 2.60 13 0.44 1.09 +++*+ + ++++ + ++ VdW CD2 LEU 365 - CG1 VAL 388 3.20 7 0.18 0.62 +++ + * + + VdW CD2 LEU 365 - CG2 VAL 388 3.20 7 0.12 0.46 +++* ++ + VdW CD2 LEU 365 - CG GLN 391 3.20 16 0.38 0.78 +++++ + +++ *+++++ + VdW CD2 LEU 365 - HG2 GLN 391 2.60 13 0.32 0.87 + ++ +++ + ++ ++*+ VdW CD2 LEU 365 - HG3 GLN 391 2.60 9 0.21 0.78 ++* + ++ + + + VdW HD21 LEU 365 - CB VAL 388 2.60 6 0.15 0.63 + + ++ + * VdW HD21 LEU 365 - HB VAL 388 2.00 7 0.14 0.44 ++ + + + * + VdW HD21 LEU 365 - CG1 VAL 388 2.60 6 0.11 0.52 ++ * + + + VdW HD22 LEU 365 - CG1 VAL 388 2.60 7 0.13 0.49 + +++ * + + VdW HD23 LEU 365 - HB VAL 388 2.00 8 0.22 0.74 ++++ ++ + * VdW O LEU 365 - C ARG 366 2.80 6 0.15 0.43 ++ + * + + VdW O LEU 365 - N LEU 368 2.75 8 0.18 0.48 +* + + ++ + + VdW HG2 ARG 366 - C ARG 366 2.50 6 0.13 0.49 + *+ ++ + VdW HG3 ARG 366 - H GLU 367 1.95 7 0.12 0.37 +* ++ + + + VdW CG GLU 367 - C GLU 367 2.90 15 0.21 0.24 ++++ +* ++++ + ++++ VdW HA LEU 368 - CD1 LEU 368 2.60 7 0.15 0.46 ++ + *+ ++ VdW CB CYS 369 - CH2 TRP 372 3.20 10 0.19 0.59 ++ + ++++ *+ + VdW HB3 CYS 369 - CZ3 TRP 372 2.60 7 0.15 0.51 + *++ + + + VdW HB3 CYS 369 - CZ2 TRP 372 2.60 8 0.18 0.65 +++ + ++ + * VdW HB3 CYS 369 - CH2 TRP 372 2.60 20 0.47 0.67 +*++++++++++++++++++ VdW SG CYS 369 - CZ2 TRP 372 3.40 17 0.43 0.75 + +++++++* + +++++++ VdW C CYS 369 - N GLN 371 2.95 6 0.17 0.26 + *++ + + VdW C CYS 369 - CE3 TRP 372 3.10 20 0.40 0.55 +++*++++++++++++++++ VdW C CYS 369 - CZ3 TRP 372 3.10 11 0.25 0.56 + + +++*++ +++ VdW O CYS 369 - C ARG 370 2.80 20 0.46 0.48 +++*++++++++++++++++ VdW O CYS 369 - N GLN 371 2.75 20 0.55 0.71 +*++++++++++++++++++ VdW O CYS 369 - CE3 TRP 372 2.90 20 0.53 0.69 +++++++++++*++++++++ VdW O CYS 369 - HE3 TRP 372 2.30 9 0.17 0.51 + +++ + ++ +* VdW N ARG 370 - CZ3 TRP 372 3.05 16 0.26 0.48 ++++ + +++*++ ++++ + VdW CA ARG 370 - CZ3 TRP 372 3.20 11 0.17 0.37 +++ ++ +++ + + * VdW CA ARG 370 - HZ3 TRP 372 2.60 10 0.18 0.43 ++ + *++++ + + VdW HA ARG 370 - HZ3 TRP 372 2.00 15 0.30 0.51 +++ +++++* +++ +++ VdW HA ARG 370 - CD2 LEU 373 2.60 14 0.34 0.83 ++ ++* +++++++ + + VdW HA ARG 370 - HD21 LEU 373 2.00 8 0.19 0.71 + ++ + + +* + VdW HD3 ARG 370 - HH12 ARG 370 1.95 6 0.09 0.30 + *+ + ++ VdW HE ARG 370 - C ARG 370 2.45 6 0.14 0.57 + + + * ++ VdW C ARG 370 - H TRP 372 2.45 11 0.26 0.47 +* ++++++ ++ + VdW C ARG 370 - HE3 TRP 372 2.50 15 0.21 0.35 +++* +++ + +++++++ VdW O ARG 370 - N TRP 372 2.75 19 0.43 0.70 ++++++ +*+++++++++++ VdW O ARG 370 - H TRP 372 1.80 18 0.38 0.69 + ++++ +++*+++++++++ VdW O ARG 370 - HE3 TRP 372 2.30 13 0.30 0.73 + * +++++ +++ +++ VdW O ARG 370 - HG LEU 373 2.30 12 0.25 0.54 + +++ + *+++++ + VdW O GLN 371 - CB TRP 372 2.90 8 0.17 0.33 + ++ * ++ + + VdW O GLN 371 - HB3 TRP 372 2.30 15 0.34 0.60 + + + ++++* ++++ +++ VdW N TRP 372 - HE3 TRP 372 2.45 17 0.32 0.46 +++ +*+++++++++ +++ VdW H TRP 372 - HE3 TRP 372 1.95 10 0.19 0.41 + +* +++ ++ ++ VdW H TRP 372 - H LEU 373 1.90 14 0.26 0.43 ++++++ + + ++ *+++ VdW CG TRP 372 - O TRP 372 2.90 12 0.22 0.44 ++ ++ +++ *+ + ++ VdW CD2 TRP 372 - C TRP 372 3.10 17 0.26 0.34 + + ++++++++*+++ +++ VdW CE3 TRP 372 - C TRP 372 3.10 16 0.29 0.54 + + +++ ++*+++++ +++ VdW CE3 TRP 372 - N LEU 373 3.05 9 0.19 0.45 * + +++ + + + + VdW CE3 TRP 372 - HB3 LEU 373 2.60 7 0.20 0.61 + + + +* + + VdW HE3 TRP 372 - N LEU 373 2.45 8 0.13 0.32 + + + ++ + + * VdW CZ3 TRP 372 - CB LEU 373 3.20 13 0.24 0.45 + * ++ +++++++ + + VdW CZ3 TRP 372 - HB3 LEU 373 2.60 17 0.49 0.85 + + ++++++++++++ *++ VdW CZ3 TRP 372 - CG LEU 373 3.20 8 0.14 0.38 + * + + + +++ VdW CZ3 TRP 372 - CD2 LEU 373 3.20 13 0.28 0.59 ++ *++ + ++++++ + VdW CZ3 TRP 372 - HD22 LEU 373 2.60 6 0.15 0.69 +* + + + + VdW CZ2 TRP 372 - CD1 LEU 386 3.20 7 0.14 0.46 * + + + +++ VdW CZ2 TRP 372 - CD2 LEU 386 3.20 10 0.25 0.65 ++*++ + + + + + VdW CZ2 TRP 372 - HD21 LEU 386 2.60 6 0.13 0.58 + ++ * + + VdW HZ3 TRP 372 - CG LEU 373 2.60 7 0.14 0.43 + + + *+++ VdW HZ3 TRP 372 - CD1 LEU 373 2.60 6 0.10 0.60 * + ++ + + VdW HZ3 TRP 372 - CD2 LEU 373 2.60 14 0.48 0.87 ++ +*+ + ++++++ ++ VdW HZ3 TRP 372 - HD22 LEU 373 2.00 7 0.24 0.92 +* ++ ++ + VdW CH2 TRP 372 - CD1 LEU 386 3.20 8 0.17 0.52 *+ + + + +++ VdW CH2 TRP 372 - HD12 LEU 386 2.60 6 0.11 0.56 *+ + + ++ VdW CH2 TRP 372 - CD2 LEU 386 3.20 12 0.22 0.51 +++++ + +* + ++ + VdW HZ2 TRP 372 - HG LEU 386 2.00 7 0.12 0.40 ++ * ++ + + VdW HZ2 TRP 372 - CD2 LEU 386 2.60 6 0.12 0.55 + ++* + + VdW HH2 TRP 372 - CA LEU 387 2.60 7 0.15 0.50 + ++* +++ VdW HH2 TRP 372 - HA LEU 387 2.00 18 0.38 0.71 ++++ ++*+++++++++ ++ VdW CG LEU 373 - H ARG 374 2.55 8 0.20 0.92 + *++ ++ + + VdW CD1 LEU 373 - N ARG 374 3.05 13 0.36 0.70 ++ +++ + ++++*+ + VdW CD1 LEU 373 - H ARG 374 2.55 10 0.34 1.01 +* +++ + +++ + VdW HD12 LEU 373 - N ARG 374 2.45 6 0.15 0.68 * + + + + + VdW HD13 LEU 373 - N ARG 374 2.45 7 0.14 0.51 + + + ++*+ VdW HD13 LEU 373 - H ARG 374 1.95 6 0.15 0.61 + + + +* + VdW CD2 LEU 373 - CG LEU 387 3.20 6 0.10 0.48 ++ * ++ + VdW CD2 LEU 373 - CD1 LEU 387 3.20 6 0.11 0.51 + + + ++* VdW CD2 LEU 373 - CD2 LEU 387 3.20 7 0.14 0.44 + +* + ++ + VdW C LEU 373 - HE3 MET 383 2.50 6 0.10 0.58 + * + ++ + VdW O LEU 373 - C ARG 374 2.80 9 0.20 0.48 ++++*+ + + + VdW O LEU 373 - O ARG 374 2.60 7 0.18 0.62 + + + ++ + * VdW O LEU 373 - CE MET 383 2.90 18 0.39 0.82 +++ ++++++ *++++++++ VdW O LEU 373 - HE3 MET 383 2.30 8 0.13 0.39 + + + * + + + + VdW N ARG 374 - HG3 ARG 374 2.45 15 0.25 0.39 * ++++++ ++++++ ++ VdW HA ARG 374 - CD PRO 375 2.60 19 0.25 0.30 +++++++ +++++++++++* VdW CB ARG 374 - CG1 VAL 377 3.20 12 0.26 0.51 + ++ *+ +++ +++ + VdW CB ARG 374 - HG11 VAL 377 2.60 10 0.16 0.36 + ++ * +++ +++ VdW CB ARG 374 - HG13 VAL 377 2.60 7 0.11 0.37 + * + + + + + VdW CB ARG 374 - CG2 VAL 377 3.20 9 0.19 0.48 + ++ +* +++ + VdW HB2 ARG 374 - CG1 VAL 377 2.60 9 0.25 0.69 + + + +++ + + * VdW HB2 ARG 374 - CG2 VAL 377 2.60 15 0.32 0.61 + + + ++++*+++++++ VdW O ARG 374 - CE MET 383 2.90 10 0.26 0.73 + * +++ +++ + + VdW HG2 PRO 375 - H GLU 376 1.95 17 0.24 0.29 +++++++ ++*+++++ ++ VdW C PRO 375 - N VAL 377 2.95 18 0.32 0.43 *+ ++++ ++++++++++++ VdW C PRO 375 - H VAL 377 2.45 18 0.54 0.75 *+ ++++ ++++++++++++ VdW O PRO 375 - N VAL 377 2.75 17 0.37 0.65 *+ ++++ ++++++++ +++ VdW O PRO 375 - N ARG 378 2.75 6 0.14 0.25 + + * + + + VdW HG3 GLU 376 - C GLU 376 2.50 7 0.14 0.30 + + +* + ++ VdW CG2 VAL 377 - C VAL 377 2.90 12 0.17 0.33 + ++ +* +++ +++ + VdW CB ARG 378 - H SER 379 2.55 10 0.20 0.40 *+ ++ ++ +++ + VdW HB3 ARG 378 - H SER 379 1.95 6 0.18 0.57 + + * +++ VdW O SER 379 - CG MET 383 2.90 7 0.14 0.48 + ++ + + +* VdW O SER 379 - HG3 MET 383 2.30 9 0.19 0.79 + ++ + ++ *++ VdW O SER 379 - SD MET 383 3.10 7 0.17 0.66 + +* ++ + + VdW H LYS 380 - HG2 LYS 380 1.95 9 0.15 0.35 + + + + + +* + + VdW C LYS 380 - N GLN 382 2.95 8 0.16 0.31 + + * +++ + + VdW C LYS 380 - H GLN 382 2.45 10 0.18 0.40 + + ++*++ ++ + VdW O LYS 380 - N GLN 382 2.75 6 0.13 0.37 + + * + + + VdW O LYS 380 - N MET 383 2.75 12 0.22 0.43 ++ +++* +++ + ++ VdW O LYS 380 - HG LEU 384 2.30 10 0.26 0.69 + * + + ++ ++++ VdW C MET 383 - N GLU 385 2.95 7 0.15 0.41 +++ + * ++ VdW O MET 383 - C LEU 384 2.80 8 0.21 0.39 + + + ++++* VdW O MET 383 - N GLU 385 2.75 9 0.21 0.67 +++ + + *+ ++ VdW O MET 383 - N LEU 386 2.75 16 0.35 0.53 ++ +++++++ +++*+++ VdW O MET 383 - H LEU 386 1.80 12 0.25 0.46 ++ ++++ + +++*+ VdW O MET 383 - CG LEU 386 2.90 6 0.12 0.52 *+ + + + + VdW O MET 383 - HG LEU 386 2.30 6 0.12 0.54 +* + + + + VdW O MET 383 - CD1 LEU 386 2.90 7 0.17 0.69 *+ + + + ++ VdW O MET 383 - CD2 LEU 386 2.90 9 0.16 0.53 ++*+ + + ++ + VdW O MET 383 - HD23 LEU 386 2.30 6 0.12 0.61 + ++ * + + VdW N LEU 384 - HG LEU 384 2.45 6 0.11 0.35 + *+ ++ + VdW N LEU 384 - CD1 LEU 384 3.05 8 0.22 0.91 * + ++ + + + + VdW H LEU 384 - CG LEU 384 2.55 12 0.19 0.31 ++ + ++++ *+ ++ + VdW H LEU 384 - HG LEU 384 1.95 7 0.17 0.58 + + *+ ++ + VdW H LEU 384 - CD1 LEU 384 2.55 9 0.33 1.27 * + ++ + ++ + + VdW H LEU 384 - HD12 LEU 384 1.95 7 0.13 0.84 + ++ + + * + VdW O LEU 384 - HB2 LEU 387 2.30 10 0.20 0.54 ++* ++++ + + + VdW O GLU 385 - CB LEU 389 2.90 10 0.20 0.52 + *+ ++ +++++ VdW O GLU 385 - HB3 LEU 389 2.30 11 0.24 0.67 +*+++ + + +++ + VdW CD2 LEU 386 - C LEU 386 3.10 6 0.14 0.50 ++ * + + + VdW HD22 LEU 386 - N LEU 387 2.45 6 0.10 0.47 + *+ + + + VdW O LEU 386 - C LEU 387 2.80 8 0.17 0.35 +* + + + + ++ VdW CG2 VAL 388 - C VAL 388 2.90 9 0.15 0.33 +++ + +*++ + VdW O VAL 388 - C LEU 389 2.80 15 0.31 0.48 ++*+++++++ +++++ VdW O VAL 388 - N GLU 390 2.75 6 0.17 0.60 ++* + ++ VdW O VAL 388 - N GLN 391 2.75 19 0.53 0.75 +++++++++++++ +++*++ VdW O VAL 388 - H GLN 391 1.80 18 0.37 0.74 ++ ++*+++++++++ ++++ VdW O VAL 388 - N PHE 392 2.75 7 0.11 0.39 + + +++ *+ VdW CA LEU 389 - CD2 LEU 389 3.00 6 0.09 0.26 + + + +*+ VdW CA LEU 389 - CD PRO 412 3.20 8 0.21 0.52 ++ ++ * + ++ VdW CA LEU 389 - HD3 PRO 412 2.60 14 0.29 0.59 +*+ ++++ +++ ++ ++ VdW HA LEU 389 - CD PRO 412 2.60 16 0.43 0.86 +++++ +*+ ++++++++ VdW HA LEU 389 - CG PRO 412 2.60 11 0.20 0.58 +++++ *+ ++ + + VdW HA LEU 389 - HD3 PRO 412 2.00 12 0.27 0.73 +++ + + +++ *+ ++ VdW CB LEU 389 - HD3 PRO 412 2.60 8 0.21 0.75 *+ ++ ++ ++ VdW HB2 LEU 389 - HD3 PRO 412 2.00 6 0.19 0.78 *+ ++ + + VdW CD1 LEU 389 - C LEU 389 3.10 6 0.13 0.52 *+ ++ + + VdW C LEU 389 - H GLN 391 2.45 6 0.13 0.35 ++ + * + + VdW O LEU 389 - CD PRO 412 2.90 6 0.13 0.52 * ++ ++ + VdW O LEU 389 - HD3 PRO 412 2.30 8 0.22 0.80 + *+ ++ + ++ VdW CG GLN 391 - C GLN 391 2.90 13 0.22 0.24 + ++ ++++* ++ ++ + VdW CG GLN 391 - N PHE 392 3.05 19 0.34 0.45 +++++++++++ +++*++++ VdW HG3 GLN 391 - N PHE 392 2.45 18 0.40 0.67 *++++ +++++ ++++++++ VdW HG3 GLN 391 - H PHE 392 1.95 11 0.20 0.46 + ++ + + + +*+++ VdW CD GLN 391 - C GLN 391 3.00 13 0.24 0.60 +++++*++ ++ +++ VdW NE2 GLN 391 - C GLN 391 2.95 6 0.13 0.32 * ++ + ++ VdW HE21 GLN 391 - HA PHE 392 1.95 6 0.16 0.44 *+ ++ + + VdW O GLN 391 - C PHE 392 2.80 18 0.31 0.41 ++*++++ +++++++++++ VdW CB PHE 392 - CA PRO 412 3.20 6 0.09 0.25 +++ *+ + VdW CB PHE 392 - CB PRO 412 3.20 16 0.30 0.67 +++ ++ ++++++*+ +++ VdW CB PHE 392 - HB3 PRO 412 2.60 19 0.53 0.98 ++++++++++++++*+++ + VdW HB2 PHE 392 - HB3 PRO 412 2.00 12 0.21 0.55 +++ ++ + ++*+ + + VdW HB3 PHE 392 - HA PRO 412 2.00 6 0.13 0.53 ++ +* ++ VdW HB3 PHE 392 - CB PRO 412 2.60 6 0.11 0.42 +++ + *+ VdW HB3 PHE 392 - HB3 PRO 412 2.00 10 0.25 0.67 ++ ++ ++ + *++ VdW CG PHE 392 - CA PRO 412 3.20 11 0.22 0.59 +++ + + ++ *+ + + VdW CG PHE 392 - HA PRO 412 2.60 9 0.24 0.67 + + + ++ *+ + + VdW CG PHE 392 - CB PRO 412 3.20 8 0.19 0.67 + ++++ *+ + VdW CG PHE 392 - HB3 PRO 412 2.60 8 0.20 0.81 + +++ ++* + VdW CD1 PHE 392 - C PHE 392 3.10 10 0.19 0.53 + ++ + + + ++ +* VdW CD1 PHE 392 - HB2 PRO 412 2.60 6 0.10 0.51 + + *+ + + VdW HD1 PHE 392 - C PHE 392 2.50 10 0.24 0.65 + ++ + + + ++ +* VdW HD1 PHE 392 - N LEU 393 2.45 7 0.17 0.61 + + * ++ ++ VdW CE1 PHE 392 - O PRO 412 2.90 6 0.16 0.54 ++ + + +* VdW CZ PHE 392 - O PRO 412 2.90 8 0.17 0.51 +++ + * + ++ VdW HZ PHE 392 - CB ALA 416 2.60 9 0.28 0.83 +*+ ++ + ++ + VdW CE2 PHE 392 - CB ALA 415 3.20 7 0.10 0.32 + + ++ * ++ VdW CD2 PHE 392 - C PHE 392 3.10 10 0.20 0.56 + + ++ + +* + ++ VdW HD2 PHE 392 - C PHE 392 2.50 10 0.26 0.73 + + ++ + +* + ++ VdW HD2 PHE 392 - N LEU 393 2.45 7 0.14 0.64 + + + +* + + VdW C PHE 392 - N GLY 394 2.95 20 0.40 0.55 ++++*+++++++++++++++ VdW C PHE 392 - H GLY 394 2.45 16 0.36 0.64 + *++ ++++++++++++ VdW C PHE 392 - H ALA 395 2.45 11 0.21 0.33 +++ ++ +* ++ + + VdW O PHE 392 - C LEU 393 2.80 20 0.41 0.48 ++++++++++++++*+++++ VdW O PHE 392 - N GLY 394 2.75 20 0.84 1.23 +++*++++++++++++++++ VdW O PHE 392 - H GLY 394 1.80 6 0.21 0.85 ++ ++ * + VdW O PHE 392 - CA GLY 394 2.90 8 0.16 0.44 *+ ++ +++ + VdW O PHE 392 - N ALA 395 2.75 20 0.67 0.86 +*++++++++++++++++++ VdW O PHE 392 - H ALA 395 1.80 18 0.60 0.84 ++++++++ ++++ +*++++ VdW CA LEU 393 - CD2 LEU 393 3.00 10 0.14 0.27 +++ *++++ + + VdW HA LEU 393 - CD2 LEU 393 2.60 10 0.22 0.49 *++ +++++ + + VdW C GLY 394 - H LEU 396 2.45 16 0.31 0.63 + ++ +++*++++ +++++ VdW O GLY 394 - N LEU 396 2.75 13 0.24 0.47 + + +*+ ++++ ++ ++ VdW O GLY 394 - H LEU 396 1.80 6 0.14 0.36 +++ +* + VdW C ALA 395 - HG LEU 396 2.50 7 0.13 0.60 +* + ++ + + VdW O ALA 395 - CG LEU 396 2.90 7 0.15 0.57 +* + + ++ + VdW O ALA 395 - HG LEU 396 2.30 9 0.19 0.82 +* + ++ + +++ VdW O ALA 395 - CD1 LEU 396 2.90 9 0.19 0.65 *+++++ + ++ VdW CA LEU 396 - CD1 LEU 396 3.00 8 0.11 0.26 + +++ * + ++ VdW HA LEU 396 - CD1 LEU 396 2.60 9 0.16 0.44 +++++ * + ++ VdW HA LEU 396 - CD PRO 397 2.60 13 0.20 0.28 ++++ ++ +++++ *+ VdW CB LEU 396 - HB2 GLN 401 2.60 6 0.14 0.34 ++ ++* + VdW HB3 LEU 396 - HB2 GLN 401 2.00 7 0.11 0.40 +*++ + + + VdW CD1 LEU 396 - CG1 VAL 419 3.20 7 0.12 0.47 *+ + + ++ + VdW CD1 LEU 396 - CG2 VAL 419 3.20 6 0.10 0.40 + +* + + + VdW CD2 LEU 396 - CG1 VAL 419 3.20 11 0.19 0.38 +* +++ ++ + + ++ VdW C LEU 396 - HB2 GLN 401 2.50 8 0.18 0.32 + ++ * + + ++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 7 0.18 0.33 + + + * +++ VdW HG2 PRO 397 - HG12 ILE 400 2.00 9 0.20 0.41 ++++ ++ * + + VdW HD2 PRO 397 - CG1 ILE 400 2.60 8 0.18 0.39 +++++* ++ VdW HD2 PRO 397 - CD1 ILE 400 2.60 6 0.18 0.42 +++ +* + VdW O PRO 397 - CB GLN 401 2.90 20 0.37 0.47 +++++++++*++++++++++ VdW O PRO 397 - HB3 GLN 401 2.30 8 0.17 0.31 + + ++ +*+ + VdW H GLU 399 - HG2 GLU 399 1.95 6 0.12 0.27 + + +* ++ VdW H ILE 400 - CG1 ILE 400 2.55 8 0.16 0.35 + ++ + + +* + VdW H ILE 400 - HG12 ILE 400 1.95 6 0.16 0.26 + + + + * + VdW CD1 ILE 400 - HB VAL 419 2.60 9 0.14 0.37 +*++ ++ + ++ VdW CB PRO 409 - HB2 GLU 414 2.60 6 0.11 0.34 +* ++ + + VdW HB2 SER 411 - CG GLU 414 2.60 6 0.12 0.42 * + ++ + + VdW H GLU 413 - HG3 GLU 413 1.95 7 0.14 0.36 + +++ +* + VdW H GLU 414 - CG GLU 414 2.55 18 0.28 0.39 ++*++++ ++++++++++ + VdW O GLU 414 - CG LEU 418 2.90 11 0.22 0.51 ++ + + + ++*+ ++ VdW O GLU 414 - HG LEU 418 2.30 19 0.39 0.62 ++++++++++++*+++++ + VdW O ALA 415 - CG1 VAL 419 2.90 6 0.14 0.46 +* + + + + VdW HA ALA 416 - CG1 VAL 419 2.60 13 0.20 0.43 ++ ++++ * + ++ +++ VdW H LEU 418 - CG LEU 418 2.55 14 0.20 0.30 +++ *++ +++ ++ +++ VdW H LEU 418 - HG LEU 418 1.95 10 0.19 0.39 *++ ++++ + + + VdW N VAL 419 - CG1 VAL 419 2.85 11 0.15 0.24 ++ *+++ + ++ + + VdW H VAL 419 - CG1 VAL 419 2.55 14 0.23 0.44 ++ *+++ ++ + ++ +++ VdW CG2 VAL 419 - C VAL 419 2.90 14 0.21 0.33 ++ *+++ ++ + ++ +++ VdW CG ARG 423 - C ARG 423 2.90 6 0.09 0.24 + +* + + + Angle PSI LEU 45 -52.00 -32.00 18 9.66 14.22 +*+++++++ +++++ ++++ Angle PHI ARG 46 -76.00 -56.00 9 4.74 8.82 ++ +*+ + + ++ Angle PSI ARG 46 -48.00 -28.00 6 3.77 6.29 + + + ++ * Angle PSI ARG 48 -34.00 -4.00 16 12.85 37.02 ++++ ++ ++++ +++++ * Angle PHI HIS 51 -128.00 -90.00 20 20.44 27.48 *+++++++++++++++++++ Angle PSI HIS 51 99.00 143.00 18 13.36 24.81 ++++ + ++++++++++*++ Angle PSI TYR 52 120.00 140.00 13 6.50 13.26 ++ +++ ++++ +*+ + Angle PHI ALA 55 -80.00 -58.00 20 34.05 46.19 ++*+++++++++++++++++ Angle PSI ALA 55 -50.00 -30.00 15 12.86 29.72 ++++* +++ + +++ +++ Angle PSI THR 56 -15.00 15.00 17 20.79 42.19 +++ +++ ++++++++++* Angle PSI PRO 58 -41.00 -31.00 20 35.95 50.89 ++++++++++++++*+++++ Angle PHI GLN 59 -77.00 -57.00 18 10.98 20.59 +++++ ++++ +++++*+++ Angle PSI GLN 59 -46.00 -26.00 13 9.86 23.03 +++++++* + +++ + Angle PHI GLU 60 -75.00 -55.00 12 9.64 31.76 +++ ++ * ++ + +++ Angle PSI GLU 60 -54.00 -34.00 15 22.73 58.59 +++++++++ + + *+ ++ Angle PHI ALA 61 -72.00 -52.00 17 21.85 53.51 +++++++++ +++++*+ + Angle PHI LEU 62 -71.00 -51.00 19 21.43 43.94 ++++++++*+++++ +++++ Angle PSI LEU 62 -53.00 -33.00 20 39.66 51.78 +++*++++++++++++++++ Angle PHI ALA 63 -76.00 -56.00 18 12.69 20.58 +++++++++++++++ ++* Angle PSI ALA 63 -48.00 -28.00 20 24.83 39.71 ++++++++++++++++*+++ Angle PHI GLN 64 -78.00 -58.00 18 14.61 24.14 +++++ *+ +++++++++++ Angle PSI GLN 64 -51.00 -31.00 7 4.26 12.34 + + *+++ + Angle PHI LEU 65 -71.00 -51.00 18 19.49 37.34 +++++++++ + +++++++* Angle PSI LEU 65 -52.00 -32.00 8 7.13 33.48 + * + ++ + + + Angle PHI ARG 66 -76.00 -56.00 17 13.88 27.94 +*+++++++++ ++++ + + Angle PSI ARG 66 -50.00 -30.00 6 4.27 26.69 + ++ + + * Angle PHI GLU 67 -79.00 -59.00 7 6.63 32.13 * + + ++ + + Angle PSI GLU 67 -50.00 -30.00 7 3.82 18.06 + ++ * ++ + Angle PHI LEU 68 -74.00 -54.00 11 6.48 32.83 + ++ ++++ * +++ Angle PSI LEU 68 -52.00 -32.00 12 7.31 24.44 +++++ + ++ *++ + Angle PHI CYS 69 -76.00 -56.00 19 19.97 35.36 ++ +++++++++++*+++++ Angle PSI CYS 69 -50.00 -30.00 19 17.61 36.80 ++ ++*++++++++++++++ Angle PHI ARG 70 -73.00 -53.00 20 43.18 54.34 +++++*++++++++++++++ Angle PSI ARG 70 -51.00 -31.00 9 4.88 16.22 ++ ++*++ + + Angle PSI GLN 71 -47.00 -17.00 20 72.08 88.93 ++*+++++++++++++++++ Angle PHI GLU 76 -78.00 -58.00 9 4.87 14.35 + + +++ ++ *+ Angle PSI GLU 76 -40.00 -6.00 17 14.83 28.46 ++++ +++++++*+ ++++ Angle PHI VAL 77 -118.00 -86.00 10 4.78 12.49 + + + +++* + ++ Angle PSI VAL 77 -29.00 -5.00 6 3.47 8.54 + * + ++ + Angle PHI SER 79 -113.00 -71.00 18 11.83 20.56 +++++++*++++++++ ++ Angle PSI SER 79 155.00 175.00 14 14.99 45.82 +++ ++ ++ ++++*+ + Angle PHI LYS 80 -69.00 -49.00 19 27.61 60.61 ++++++++++*++++ ++++ Angle PSI LYS 80 -48.00 -28.00 20 20.90 30.76 +++++*++++++++++++++ Angle PHI GLU 81 -73.00 -53.00 16 7.41 14.22 ++ + +++ ++++++++* + Angle PSI GLU 81 -50.00 -30.00 13 9.20 25.45 ++++*+ ++ +++ + + Angle PHI GLN 82 -76.00 -56.00 18 15.82 22.30 +++*++++++++++++ ++ Angle PSI GLN 82 -48.00 -28.00 11 6.73 25.71 * + ++ ++ ++ +++ Angle PHI MET 83 -75.00 -55.00 20 16.69 30.28 ++++*+++++++++++++++ Angle PSI MET 83 -52.00 -32.00 17 19.73 40.14 ++++ ++++++ ++++*++ Angle PHI LEU 84 -73.00 -53.00 20 16.33 24.57 +++++++++++++++++*++ Angle PSI LEU 84 -52.00 -32.00 6 3.14 17.42 + ++ + * + Angle PHI GLU 85 -75.00 -55.00 6 3.61 9.86 ++ + ++ * Angle PSI GLU 85 -54.00 -34.00 14 7.66 18.15 *+ + + +++ +++++++ Angle PHI LEU 86 -74.00 -54.00 14 13.93 33.30 *+++ + + + +++++++ Angle PSI LEU 86 -51.00 -31.00 20 13.44 19.26 +*++++++++++++++++++ Angle PHI LEU 87 -77.00 -57.00 15 9.21 16.32 + +* +++++ +++++++ Angle PSI LEU 87 -51.00 -31.00 19 16.79 30.07 +*+++++++ ++++++++++ Angle PHI VAL 88 -78.00 -58.00 20 41.74 55.66 +++++++++++*++++++++ Angle PSI VAL 88 -55.00 -35.00 11 9.61 36.01 + ++++* ++ ++ + Angle PHI LEU 89 -70.00 -50.00 18 26.45 68.51 +++ +++*++++++ +++++ Angle PSI LEU 89 -57.00 -37.00 11 7.91 24.77 ++ + +++++* + + Angle PHI GLU 90 -73.00 -53.00 16 20.18 54.21 ++++ +* + +++++++ ++ Angle PSI GLU 90 -52.00 -32.00 19 40.08 72.42 +++++*+++ ++++++++++ Angle PHI GLN 91 -74.00 -54.00 19 38.57 62.16 ++++++++++++++++++ * Angle PSI GLN 91 -46.00 -26.00 18 11.78 23.57 +++++++++++ ++ ++++* Angle PHI PHE 92 -74.00 -54.00 20 21.50 33.42 +++++++++++++++++++* Angle PSI PHE 92 -55.00 -35.00 13 10.19 21.70 +++ +*+ ++ + +++ + Angle PHI LEU 93 -72.00 -52.00 20 47.24 69.13 +++++*++++++++++++++ Angle PHI GLY 94 -80.00 -56.00 12 6.05 14.78 + ++ *++++++ + + Angle PSI PRO 97 132.20 154.90 20 19.52 23.61 ++++++++++*+++++++++ Angle PSI PRO 98 -46.00 -28.00 20 20.02 23.92 +++*++++++++++++++++ Angle PHI GLU 99 -76.00 -56.00 16 6.83 12.49 +++*+ +++++ ++++++ Angle PSI GLU 99 -47.00 -27.00 14 5.90 8.90 ++ ++ ++++ +++++* Angle PHI ILE 100 -73.00 -53.00 20 22.02 24.98 +++++++++*++++++++++ Angle PHI ARG 103 -73.00 -53.00 11 5.31 12.31 *+ ++ ++ +++ + + Angle PSI PRO 112 -44.00 -28.00 15 15.64 52.93 ++++ ++ ++++ *++ ++ Angle PHI GLU 113 -75.00 -55.00 11 12.31 58.88 ++++ ++ ++ * + + Angle PHI GLU 114 -74.00 -54.00 16 15.61 30.68 +*+++++++ + +++ +++ Angle PSI GLU 114 -54.00 -34.00 13 6.16 15.01 *+ + ++++++ + +++ Angle PSI ALA 115 -49.00 -29.00 17 12.07 23.66 + ++++++++ ++* +++++ Angle PHI ALA 116 -73.00 -53.00 19 10.15 14.54 +++++++++ +++++++*++ Angle PSI ALA 116 -50.00 -30.00 6 2.60 10.78 ++ ++ + * Angle PSI ALA 117 -50.00 -30.00 11 6.02 14.52 ++ +++ *++++ + Angle PHI LEU 118 -79.00 -59.00 7 3.69 13.28 + + + +++* Angle PSI LEU 118 -48.00 -28.00 6 3.42 8.91 * +++ + + Angle PHI ASP 120 -69.00 -49.00 12 7.39 16.03 +++ ++ + +++ +*+ Angle PHI GLY 121 -84.00 -58.00 7 3.65 10.79 * + ++ + + + Angle PSI LEU 345 -52.00 -32.00 18 9.68 14.42 +++++ ++++++*++++++ Angle PHI ARG 346 -76.00 -56.00 7 3.92 8.28 +*++ ++ + Angle PSI ARG 348 -34.00 -4.00 16 13.21 27.82 +++++ ++ ++*++++++ Angle PHI HIS 351 -128.00 -90.00 20 21.31 35.60 +++++++++++++++++++* Angle PSI HIS 351 99.00 143.00 19 16.68 36.47 +++++++++ ++++++++*+ Angle PSI TYR 352 120.00 140.00 15 8.26 17.01 +++ +*+ ++ +++++++ Angle PHI ALA 355 -80.00 -58.00 20 32.79 43.62 ++++++++*+++++++++++ Angle PSI ALA 355 -50.00 -30.00 17 11.92 22.03 + +++++++++ ++ +*+++ Angle PSI THR 356 -15.00 15.00 16 23.48 44.17 + +++ ++++++*+++++ Angle PSI PRO 358 -41.00 -31.00 20 33.73 49.81 +++++++++++*++++++++ Angle PHI GLN 359 -77.00 -57.00 19 13.12 27.16 +++ ++++++++++*+++++ Angle PSI GLN 359 -46.00 -26.00 11 9.36 27.78 +++++ *++ + ++ Angle PHI GLU 360 -75.00 -55.00 9 7.38 27.54 ++ ++ +* + ++ Angle PSI GLU 360 -54.00 -34.00 15 28.67 59.51 ++++++++ ++ + + ++* Angle PHI ALA 361 -72.00 -52.00 17 27.56 52.93 +++++++++++ +++ ++* Angle PHI LEU 362 -71.00 -51.00 18 23.23 43.56 ++++++*+ +++++++ +++ Angle PSI LEU 362 -53.00 -33.00 20 34.19 50.35 ++++++++++++*+++++++ Angle PHI ALA 363 -76.00 -56.00 18 16.67 55.93 +*+++ ++ +++++++++++ Angle PSI ALA 363 -48.00 -28.00 20 23.09 44.91 ++++++++++++++++++*+ Angle PHI GLN 364 -78.00 -58.00 14 11.85 25.70 ++ ++++ ++++ +++ * Angle PSI GLN 364 -51.00 -31.00 9 3.75 10.55 + ++* + +++ + Angle PHI LEU 365 -71.00 -51.00 16 15.51 32.25 + *+++++ + ++++++++ Angle PSI LEU 365 -52.00 -32.00 12 10.53 34.73 ++++ +++ +++ + * Angle PHI ARG 366 -76.00 -56.00 17 14.19 40.23 ++++++++ + +*++++++ Angle PSI ARG 366 -50.00 -30.00 8 5.81 21.04 +*+++ + + + Angle PHI GLU 367 -79.00 -59.00 10 5.83 22.53 +++ + + ++* + + Angle PHI LEU 368 -74.00 -54.00 11 6.71 29.90 ++ + ++ * + ++ ++ Angle PSI LEU 368 -52.00 -32.00 10 7.49 34.37 ++++++* + + + Angle PHI CYS 369 -76.00 -56.00 19 17.64 32.44 ++++++++*++ ++++++++ Angle PSI CYS 369 -50.00 -30.00 20 21.24 44.87 ++++++++++*+++++++++ Angle PHI ARG 370 -73.00 -53.00 20 44.25 54.29 +++*++++++++++++++++ Angle PSI ARG 370 -51.00 -31.00 10 5.58 21.56 + *+ + + +++++ Angle PSI GLN 371 -47.00 -17.00 20 70.95 80.63 ++*+++++++++++++++++ Angle PHI GLU 376 -78.00 -58.00 11 5.81 12.73 +++ ++ *+ +++ + Angle PSI GLU 376 -40.00 -6.00 12 11.28 29.63 + + +* ++++ +++ + Angle PHI VAL 377 -118.00 -86.00 7 3.90 16.65 + +* ++ + + Angle PSI VAL 377 -29.00 -5.00 8 3.67 9.59 + + ++ *++ + Angle PHI SER 379 -113.00 -71.00 15 11.03 19.49 + + *++ +++++++++ + Angle PSI SER 379 155.00 175.00 16 14.51 38.64 + +*+ ++ +++++ +++++ Angle PHI LYS 380 -69.00 -49.00 19 30.90 56.11 +* +++++++++++++++++ Angle PSI LYS 380 -48.00 -28.00 20 23.43 39.76 ++++++++++++++*+++++ Angle PHI GLU 381 -73.00 -53.00 14 6.50 13.16 + +++++ *+++ + +++ Angle PSI GLU 381 -50.00 -30.00 14 9.57 23.94 ++ +++ +++*++ ++ + Angle PHI GLN 382 -76.00 -56.00 18 14.17 25.44 ++++ +++ +*+++++++++ Angle PSI GLN 382 -48.00 -28.00 6 4.78 23.61 + +++ * + Angle PHI MET 383 -75.00 -55.00 20 18.35 30.72 +++++++++++++*++++++ Angle PSI MET 383 -52.00 -32.00 18 18.46 37.03 ++ ++++++++ ++*+++++ Angle PHI LEU 384 -73.00 -53.00 20 16.17 32.40 +++++++++++++++++*++ Angle PHI GLU 385 -75.00 -55.00 8 5.37 18.59 * + +++++ + Angle PSI GLU 385 -54.00 -34.00 11 6.61 18.96 + +* ++ + ++ +++ Angle PHI LEU 386 -74.00 -54.00 14 13.72 31.81 +++ +++++ + + +++* Angle PSI LEU 386 -51.00 -31.00 20 12.81 18.92 ++*+++++++++++++++++ Angle PHI LEU 387 -77.00 -57.00 20 16.87 31.70 ++*+++++++++++++++++ Angle PSI LEU 387 -51.00 -31.00 20 17.49 32.85 ++++++++++++*+++++++ Angle PHI VAL 388 -78.00 -58.00 20 39.10 72.60 ++++++++++++++*+++++ Angle PSI VAL 388 -55.00 -35.00 7 6.49 31.58 + ++*+ + + Angle PHI LEU 389 -70.00 -50.00 18 26.46 61.93 ++++++*+++++ ++++++ Angle PSI LEU 389 -57.00 -37.00 15 9.99 20.34 + + +++++ ++ ++* +++ Angle PHI GLU 390 -73.00 -53.00 11 11.25 50.89 + ++ + + +*+ ++ + Angle PSI GLU 390 -52.00 -32.00 20 34.81 66.16 +++*++++++++++++++++ Angle PHI GLN 391 -74.00 -54.00 20 38.52 61.62 ++++++++*+++++++++++ Angle PSI GLN 391 -46.00 -26.00 19 15.06 25.83 +*+++++++ ++++++++++ Angle PHI PHE 392 -74.00 -54.00 20 25.25 35.47 ++*+++++++++++++++++ Angle PSI PHE 392 -55.00 -35.00 10 7.91 24.75 + + ++ ++*+++ Angle PHI LEU 393 -72.00 -52.00 20 42.58 72.94 +++++++++++++*++++++ Angle PHI GLY 394 -80.00 -56.00 16 9.06 18.67 + ++++ ++*+++ +++++ Angle PSI PRO 397 132.20 154.90 20 20.16 24.38 +++++++++++++++*++++ Angle PSI PRO 398 -46.00 -28.00 20 23.12 28.61 +++++++++++++++++++* Angle PHI GLU 399 -76.00 -56.00 19 10.55 18.00 +++++++*+++++ ++++++ Angle PSI GLU 399 -47.00 -27.00 15 7.35 11.53 +*+ ++ ++++ ++++++ Angle PHI ILE 400 -73.00 -53.00 20 20.38 26.20 ++++++++++++*+++++++ Angle PHI ARG 403 -73.00 -53.00 11 5.55 15.28 +++ ++ + + + ++* Angle PSI PRO 412 -44.00 -28.00 11 7.32 24.96 ++ +++ *+++++ Angle PHI GLU 413 -75.00 -55.00 7 4.98 19.60 ++ +++ * + Angle PSI GLU 413 -51.00 -31.00 10 5.28 16.51 +++ ++ +++ * + Angle PHI GLU 414 -74.00 -54.00 16 10.29 25.34 ++++ +++*+ + ++++++ Angle PSI GLU 414 -54.00 -34.00 10 5.64 15.82 +*+ ++ +++ ++ Angle PSI ALA 415 -49.00 -29.00 20 13.92 21.86 +++++++++++++++++*++ Angle PHI ALA 416 -73.00 -53.00 18 9.29 17.57 ++ +++++++++ ++++*++ Angle PSI ALA 417 -50.00 -30.00 9 5.43 13.24 +* ++++ + + + Angle PHI ASP 420 -69.00 -49.00 13 7.17 18.16 ++ ++*+++ + +++ + 844 violated distance constraints. 168 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.62 +/- 0.10 A (0.48..0.89 A) Average heavy atom RMSD to mean : 1.08 +/- 0.11 A (0.89..1.36 A)