Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 289.01 317 0.1374 4.95 233 149.5 1.04 79 7.6445 34.00 2 290.23 329 0.1369 4.88 246 152.8 1.04 82 7.6154 34.83 3 291.49 314 0.1371 4.90 257 153.5 1.06 77 7.5374 34.93 4 291.92 346 0.1371 4.74 254 153.0 1.06 78 7.5707 35.68 5 294.84 347 0.1376 4.82 252 152.7 0.97 73 7.7552 40.28 6 297.40 339 0.1384 4.77 245 157.2 1.03 81 7.8444 37.24 7 300.20 354 0.1392 4.92 263 160.5 1.00 78 8.0297 40.64 8 300.36 309 0.1383 4.89 253 161.1 0.92 83 8.0211 38.53 9 300.78 364 0.1382 4.81 258 161.8 1.05 72 7.8889 36.80 10 300.85 325 0.1387 4.68 264 153.4 1.07 80 7.8325 34.89 11 302.35 364 0.1391 4.64 257 159.7 1.04 84 7.6787 36.04 12 303.11 381 0.1394 4.69 252 158.7 1.00 77 7.6722 38.60 13 303.14 351 0.1382 4.53 274 162.0 1.11 85 7.8798 37.79 14 303.16 335 0.1386 4.96 270 159.8 1.04 80 8.0869 42.67 15 303.36 370 0.1379 4.60 269 160.0 1.07 92 7.8615 30.91 16 303.54 323 0.1390 4.97 267 162.5 1.00 80 8.0602 40.60 17 303.69 349 0.1393 4.85 267 161.5 1.07 78 8.2322 47.64 18 303.90 341 0.1381 4.58 278 164.1 1.05 88 7.9550 40.61 19 304.22 350 0.1408 5.00 251 156.5 1.05 74 7.9453 39.35 20 304.25 350 0.1408 4.90 262 159.8 1.04 81 7.6417 34.23 Ave 299.59 343 0.1385 4.80 259 158.0 1.04 80 7.8377 37.81 +/- 5.04 19 0.0011 0.14 11 4.0 0.04 5 0.1890 3.63 Min 289.01 309 0.1369 4.53 233 149.5 0.92 72 7.5374 30.91 Max 304.25 381 0.1408 5.00 278 164.1 1.11 92 8.2322 47.64 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 - HB3 TRP 72 5.14 18 0.19 0.30 +*++++++++ ++++++ ++ peak 702 Upper QB ALA 43 - HG3 ARG 44 5.50 12 0.11 0.24 +++*++ ++ ++++ peak 1824 Upper H ARG 44 - HD2 ARG 44 5.50 14 0.20 0.32 +++ ++ ++++ ++*+ + peak 705 Upper HA ARG 44 - HD1 TRP 72 5.50 17 0.17 0.30 +++++++++++* ++++ + peak 1842 Upper HB3 ARG 44 - HG LEU 45 5.50 7 0.09 0.45 + + ++ *++ peak 1825 Upper H ARG 46 - QD2 LEU 68 5.38 19 0.45 0.56 ++++++++++*++ ++++++ peak 668 Upper HB2 PHE 47 - QD2 LEU 68 3.41 17 0.25 0.86 ++++++ ++ ++ *++++++ peak 2483 Upper H PHE 50 - QD2 LEU 65 4.54 6 0.06 0.36 + +++ + * peak 779 Upper HA PHE 50 - QD2 LEU 65 5.50 7 0.10 0.39 + + +++ +* peak 2035 Upper HB3 PHE 50 - QD1 LEU 68 5.50 19 0.31 0.51 +++++++++++++ +++*++ peak 2498 Upper HB3 PHE 50 - QB ALA 95 5.50 19 0.27 1.02 +++++++++ +++*++++++ peak 2008 Upper QD PHE 50 - QD2 LEU 65 4.32 10 0.13 0.41 *++ ++++ + ++ peak 2403 Upper QD PHE 50 - QB ALA 95 4.15 19 0.38 0.83 +++++++++ +++*++++++ peak 1722 Upper QD PHE 50 - QB ALA 395 3.01 20 4.68 5.00 ++++++++++++++++++*+ peak 8165 Upper QE PHE 50 - HA ALA 61 4.28 9 0.11 0.52 + ++ ++ *+ ++ peak 2258 Upper QE PHE 50 - QB ALA 95 4.34 19 0.36 0.62 +++++++*+++++ ++++++ peak 1723 Upper QE PHE 50 - QB ALA 395 3.33 20 2.78 3.11 ++++++++++++++++++*+ peak 8164 Upper HB3 HIS 51 - HE1 HIS 51 5.13 11 0.08 0.17 ++*+++ +++ + + peak 257 Upper QB TYR 52 - QB ALA 61 5.45 8 0.08 0.42 ++ +++ + + * peak 1602 Upper QB TYR 52 - H ALA 95 5.50 20 0.42 0.79 ++++++++*+++++++++++ peak 1114 Upper QB TYR 52 - QB ALA 95 3.93 18 0.26 0.48 ++++++++++++*++ ++ + peak 1713 Upper QB TYR 52 - QB ALA 395 5.50 20 0.71 0.93 +++++++++*++++++++++ peak 8347 Upper QD TYR 52 - QB ALA 55 5.49 15 0.16 0.30 +++++ ++ ++ +++++* peak 247 Upper QD TYR 52 - QB ALA 95 4.25 20 0.36 0.55 ++++++++++++*+++++++ peak 246 Upper QD TYR 52 - QD1 LEU 96 5.13 18 0.34 0.71 ++++ ++ +++++++++*++ peak 251 Upper QD TYR 52 - HG3 PRO 97 5.03 17 0.34 0.86 ++ + ++++++++ ++++*+ peak 3432 Upper QD TYR 52 - HD3 PRO 97 3.70 20 0.78 1.07 +++++++*++++++++++++ peak 241 Upper QD TYR 52 - QD1 ILE 100 5.07 12 0.15 0.31 ++ + ++*+ + ++ ++ peak 3486 Upper QD TYR 52 - QB ALA 395 3.67 20 1.99 2.27 +++++++++*++++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 0.47 0.79 ++++++++++++++*+++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 0.48 0.66 ++++++++*+++++++++++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.38 1.59 ++++++++++++*+++++++ peak 8115 Upper QE TYR 52 - QG2 THR 56 5.50 19 0.27 0.39 ++++++++*++++ ++++++ peak 1769 Upper QE TYR 52 - HB3 PRO 58 3.60 13 0.13 0.38 ++ + ++*+ ++ ++ ++ peak 232 Upper QE TYR 52 - QD1 LEU 96 5.42 11 0.15 0.37 ++ ++++++*++ peak 239 Upper QE TYR 52 - QD2 LEU 96 3.63 20 0.37 0.53 ++++++++++++*+++++++ peak 240 Upper QE TYR 52 - HG12 ILE 100 5.50 8 0.18 0.65 +++ + *+ ++ peak 234 Upper QE TYR 52 - HB2 PRO 358 5.50 13 0.33 0.89 +++ ++ ++++*+ + + peak 2168 Upper QE TYR 52 - QB ALA 395 4.32 20 1.43 1.64 +++++++++++++*++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 0.32 0.50 ++++++++*+++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.01 1.21 ++++++++++++*+++++++ peak 8114 Upper HA GLU 54 - H GLY 57 5.25 7 0.15 0.58 + + +*++ + peak 2185 Upper HA THR 56 - HG3 GLU 60 5.50 12 0.22 0.58 ++ ++*+ + + ++ ++ peak 2108 Upper QG2 THR 56 - H GLY 57 3.91 6 0.05 0.22 + + ++ * + peak 827 Upper QG2 THR 56 - HD3 PRO 58 5.50 15 0.31 0.84 ++*+++ +++++++ ++ peak 1764 Upper QG2 THR 56 - HB3 GLU 60 3.51 19 0.83 1.15 +++++++++++++ +*++++ peak 1767 Upper QG2 THR 56 - HG2 GLU 60 3.88 10 0.23 0.85 +*+ ++ + ++ + + peak 2231 Upper QG2 THR 56 - HG3 GLU 60 3.72 16 0.77 1.22 ++ ++*+++++ ++++++ peak 1765 Upper H GLY 57 - QE TYR 352 5.50 11 0.18 0.57 ++ + +++ + ++ *+ peak 400 Upper H GLY 57 - HD3 PRO 358 5.13 14 0.33 0.73 ++++++ +++++ * ++ peak 821 Upper H GLY 57 - HE22 GLN 359 4.65 14 0.26 1.26 ++ ++++++ +* ++ ++ peak 399 Upper HA2 GLY 57 - HD2 PRO 358 4.30 11 0.17 0.43 ++ ++ +++ + +* + peak 2147 Upper HB2 PRO 58 - QE PHE 92 4.87 20 0.83 1.08 +++++++++++++*++++++ peak 2170 Upper HB2 PRO 58 - HB2 LEU 96 5.50 16 0.29 0.76 ++++ ++*++++ +++++ peak 3337 Upper HB2 PRO 58 - QB ALA 116 5.50 20 0.92 1.27 +++++++*++++++++++++ peak 8262 Upper HB2 PRO 58 - QG1 VAL 119 5.24 14 0.27 0.72 ++++ + *++++ ++++ peak 2133 Upper HB2 PRO 58 - QG2 VAL 119 4.88 19 0.37 0.73 ++++++ ++++++++++*++ peak 2131 Upper HB2 PRO 58 - QE TYR 352 5.50 19 0.62 1.01 +++++++*+++++ ++++++ peak 2168 Upper HB3 PRO 58 - HE21 GLN 59 4.43 14 0.26 0.66 ++ +*++ +++++ +++ peak 848 Upper HB3 PRO 58 - HE22 GLN 59 4.22 19 0.37 0.79 +++++++ +*++++++++++ peak 8254 Upper HG2 PRO 58 - QE PHE 92 5.50 8 0.15 0.82 + + + +++ +* peak 157 Upper HG2 PRO 58 - HA LEU 96 5.24 9 0.17 0.92 + + + + ++ ++ * peak 3344 Upper HD2 PRO 58 - HA PRO 358 5.48 6 0.15 0.58 + + +*+ + peak 2149 Upper HD2 PRO 58 - HB2 PRO 358 5.05 6 0.12 0.49 + + ++* + peak 2144 Upper HD2 PRO 58 - H GLN 359 4.77 6 0.20 1.05 + + ++* + peak 832 Upper HD3 PRO 58 - HE22 GLN 59 5.50 15 0.36 0.86 +++++++ ++++ ++ +* peak 2162 Upper HD3 PRO 58 - QD2 LEU 96 5.10 7 0.06 0.33 + *+ + +++ peak 1751 Upper HD3 PRO 58 - H GLY 357 5.13 14 0.34 0.70 ++++++ + +++ + ++ * peak 821 Upper HD3 PRO 58 - HE22 GLN 359 5.50 9 0.17 0.89 ++ +++++ * + peak 866 Upper H GLN 59 - HB2 LEU 62 5.50 12 0.25 0.63 +++ + ++++*++ + peak 2295 Upper H GLN 59 - QD1 LEU 62 5.42 8 0.15 0.65 ++ + ++*+ + peak 842 Upper H GLN 59 - QG2 VAL 119 5.50 20 0.81 1.01 +++++++++++*++++++++ peak 841 Upper H GLN 59 - HD3 PRO 358 4.70 10 0.44 1.13 ++ + +++ + ++ * peak 834 Upper H GLN 59 - QB GLN 359 3.50 8 0.26 1.14 + + + ++*+ + peak 837 Upper HA GLN 59 - HE22 GLN 59 4.88 16 0.23 0.52 ++ ++++*+ + + ++++++ peak 867 Upper HA GLN 59 - QD1 LEU 62 3.82 11 0.22 0.67 +++ ++++*+ ++ peak 2290 Upper HA GLN 59 - QD2 LEU 62 5.50 10 0.12 0.37 + ++++ + +*+ + peak 2195 Upper HA GLN 59 - H ALA 63 5.34 9 0.10 0.25 + ++++ * + + + peak 2216 Upper HA GLN 59 - QE PHE 92 4.34 19 0.34 0.73 ++++*++ ++++++++++++ peak 111 Upper HA GLN 59 - HG2 GLN 359 4.27 13 0.41 1.84 ++ ++++++ * ++ ++ peak 129 Upper QB GLN 59 - H GLN 359 3.50 13 0.50 1.16 ++ ++++++ + +* ++ peak 837 Upper QB GLN 59 - HG2 GLN 359 3.64 8 0.10 0.35 ++ ++ * ++ + peak 132 Upper HG2 GLN 59 - QB ALA 116 4.35 15 0.45 0.81 +++++++ +++* ++ ++ peak 2206 Upper HG2 GLN 59 - HA GLN 359 4.27 9 0.48 1.88 + + + + ++++ * peak 129 Upper HG3 GLN 59 - H ALA 363 4.49 11 0.35 1.12 +* + +++++++ + peak 896 Upper HE21 GLN 59 - QD1 LEU 62 5.50 11 0.20 0.51 *++ +++++ ++ + peak 852 Upper HE21 GLN 59 - HG LEU 96 5.50 8 0.08 0.45 ++ *+ + + + + peak 3361 Upper HE21 GLN 59 - HA ALA 116 4.32 16 0.39 0.81 ++++*++ ++++ + ++ ++ peak 844 Upper HE21 GLN 59 - QB ALA 116 3.70 6 0.07 0.20 * + ++ ++ peak 850 Upper HE21 GLN 59 - HD3 PRO 358 5.50 6 0.09 0.85 * + + +++ peak 843 Upper HE22 GLN 59 - H GLY 357 4.65 12 0.30 1.13 +++ + ++ + + ++ *+ peak 399 Upper HE22 GLN 59 - HD3 PRO 358 5.50 12 0.49 1.27 ++++ + ++++ ++ * peak 866 Upper HA GLU 60 - HG2 GLU 60 3.49 12 0.09 0.26 ++ ++ + *+ +++++ peak 135 Upper HA GLU 60 - H ALA 63 4.30 6 0.05 0.19 + + +* ++ peak 389 Upper HA GLU 60 - QB ALA 63 4.08 7 0.13 0.44 +++ *+ ++ peak 2225 Upper HA GLU 60 - H GLN 64 5.50 7 0.08 0.36 *+ ++++ + peak 2247 Upper HB2 GLU 60 - QB ALA 61 4.25 16 0.19 0.31 ++++++*++ ++ ++++ + peak 1607 Upper HB2 GLU 60 - HE21 GLN 64 4.94 6 0.08 0.22 *+ + + ++ peak 915 Upper HG2 GLU 60 - H ALA 417 5.20 15 0.32 0.56 ++ ++++ *++ ++++++ peak 1290 Upper H ALA 61 - H ALA 63 4.14 18 0.23 0.44 ++++*++ +++++++++++ peak 178 Upper QB ALA 61 - QD PHE 392 3.23 20 4.24 4.39 ++++++++*+++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 2.54 2.71 ++++++++*+++++++++++ peak 8146 Upper H LEU 62 - HB3 LEU 65 5.50 10 0.18 0.55 +++ +*++ +++ peak 2390 Upper H LEU 62 - QE PHE 92 5.50 20 0.37 0.63 ++++++++++++++*+++++ peak 187 Upper H LEU 62 - QB ALA 95 5.24 10 0.14 0.42 ++ * ++++ + + + peak 1726 Upper HB3 LEU 62 - HA LEU 89 5.47 8 0.10 0.35 +* + ++++ + peak 1873 Upper HB3 LEU 62 - H PHE 92 4.60 9 0.11 0.41 +++ ++*+ ++ peak 1168 Upper HG LEU 62 - HA PRO 112 5.50 9 0.71 1.75 ++ ++++ ++ * peak 2291 Upper HG LEU 62 - HB3 PRO 112 5.05 8 0.15 0.48 ++ ++ + ++ * peak 2282 Upper QD1 LEU 62 - HA GLU 113 4.94 10 0.18 0.61 ++ + ++++ +* + peak 3837 Upper QD1 LEU 62 - H GLN 359 5.50 13 0.34 1.30 ++ ++ +++ ++++*+ peak 2305 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 0.76 1.00 +++++++++*++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 1.92 2.44 ++++++++++++++++++*+ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 20 0.70 1.09 +++++++++*++++++++++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 1.03 1.20 +++++++++*++++++++++ peak 8267 Upper QD2 LEU 62 - HG LEU 65 4.50 17 0.62 1.44 +++++++++++++ +++ * peak 2375 Upper QD2 LEU 62 - HA PHE 92 5.50 12 0.14 0.51 ++ ++ ++++ + +*+ peak 3228 Upper QD2 LEU 62 - HB3 PRO 112 3.47 11 0.19 0.51 +++ ++++++ +* peak 2265 Upper QD2 LEU 62 - H GLU 113 5.50 19 0.58 1.06 +++++++++++++*+ ++++ peak 2316 Upper QD2 LEU 62 - QB GLN 359 4.99 6 0.08 0.31 * ++ ++ + peak 2266 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 0.83 1.14 +++++++++*++++++++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 0.82 1.06 ++++++++*+++++++++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 9 0.25 0.66 ++ ++++ ++ * peak 8216 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 0.41 0.80 ++++*+++++++++++++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 19 0.39 0.68 +++++++ ++++++*+++++ peak 8268 Upper QD2 LEU 62 - H GLU 413 5.50 18 0.38 0.55 +++*++++++++ ++++++ peak 2316 Upper QD2 LEU 62 - HG2 GLU 413 5.50 15 0.17 0.32 *+ +++ +++++ ++++ + peak 3833 Upper H ALA 63 - QB GLN 359 4.88 10 0.20 0.70 ++ + +++ ++ *+ peak 897 Upper H ALA 63 - HG3 GLN 359 4.49 16 0.58 1.33 +++++++*+ ++ +++++ peak 896 Upper HA ALA 63 - H ARG 66 4.50 6 0.06 0.23 + + + *+ + peak 2319 Upper H GLN 64 - HB2 LEU 65 5.50 8 0.15 0.45 *+ ++++ ++ peak 2389 Upper H GLN 64 - HB3 LEU 65 5.50 12 0.22 0.66 *++ ++++++ +++ peak 2390 Upper H GLN 64 - HG LEU 65 5.50 8 0.37 1.01 ++ ++++ * + peak 2392 Upper HA GLN 64 - HE21 GLN 64 5.50 10 0.10 0.21 + + ++ ++ + ++ * peak 396 Upper HG3 GLN 64 - H LEU 65 4.27 7 0.06 0.23 +++ *+ ++ peak 2352 Upper QD2 LEU 65 - HA PHE 92 5.18 7 0.07 0.39 ++ +++ *+ peak 3229 Upper HA ARG 66 - QG2 VAL 88 3.01 10 0.09 0.25 + +++ + + *+++ peak 8234 Upper QB ARG 66 - HA VAL 88 5.50 12 0.13 0.37 + ++++ + +*++++ peak 3139 Upper QB ARG 66 - QG1 VAL 88 4.18 6 0.06 0.21 + + + * + + peak 8199 Upper QG ARG 66 - QG2 VAL 88 4.41 15 0.23 0.52 +*++++++ + ++++++ peak 3144 Upper H GLU 67 - HG3 GLU 67 4.10 6 0.04 0.14 ++ + *++ peak 2468 Upper H GLU 67 - HG LEU 68 5.50 7 0.32 1.20 + + + + ++* peak 2527 Upper H GLU 67 - QD2 LEU 68 4.46 16 0.31 0.58 ++ +++++++* +++++ + peak 2531 Upper H GLU 67 - QD1 LEU 84 5.50 11 0.21 0.60 ++++ + +* + + ++ peak 957 Upper QB GLU 67 - QD2 LEU 68 4.06 15 0.18 0.33 *+ ++++++++ + +++ + peak 2463 Upper H LEU 68 - HB3 LEU 68 3.49 7 0.07 0.11 + *+++ + + peak 972 Upper HB3 CYS 69 - QG2 VAL 88 4.76 14 0.22 0.43 ++++++++ + + +++* peak 2557 Upper H TRP 72 - HG LEU 73 5.50 10 0.12 0.47 + + ++ ++*+ ++ peak 1935 Upper HB3 TRP 72 - H ARG 74 5.50 13 0.12 0.22 +++ +++ + + +*+ ++ peak 2642 Upper HE3 TRP 72 - HG LEU 73 5.50 16 0.17 0.33 ++++++++++ ++*+ + + peak 1934 Upper HE1 TRP 72 - HB3 LEU 73 5.01 10 0.10 0.25 ++ + ++++*+ + peak 255 Upper HZ2 TRP 72 - HB3 LEU 73 4.60 6 0.07 0.20 + + + ++* peak 194 Upper HH2 TRP 72 - HA LEU 87 4.68 14 0.13 0.45 ++++++++ + *++ + + peak 120 Upper QD1 LEU 73 - H VAL 88 5.50 19 0.22 0.60 +++++++++++++ +++*++ peak 1124 Upper QD2 LEU 73 - HB3 LEU 86 4.58 6 0.14 0.75 + ++ ++* peak 3065 Upper H ARG 74 - H GLU 76 5.24 7 0.08 0.21 +++ *+ + + peak 305 Upper QB PRO 75 - HB2 LYS 80 3.63 7 0.08 0.28 ++ + + ++* peak 2696 Upper QG PRO 75 - H VAL 77 5.50 7 0.11 0.36 ++ *+ +++ peak 3286 Upper HD3 PRO 75 - H GLU 76 4.44 14 0.15 0.28 ++++*+++ ++ +++ + peak 311 Upper H GLU 76 - QG1 VAL 77 4.82 6 0.21 0.73 +* ++ + + peak 2770 Upper H GLU 76 - QG2 VAL 77 4.12 6 0.07 0.27 ++ *+ + + peak 1007 Upper H GLU 76 - QD1 LEU 84 5.50 17 0.25 0.66 ++++++++*+++++++ + peak 1008 Upper HA GLU 76 - QG2 VAL 77 4.85 6 0.19 0.66 ++ *+ + + peak 1736 Upper HG2 GLU 76 - QG1 VAL 77 3.10 6 0.17 0.59 ++ +* + + peak 2779 Upper HG2 GLU 76 - QG2 VAL 77 4.19 6 0.07 0.28 ++ ++ * + peak 2754 Upper HG3 GLU 76 - QG1 VAL 77 4.49 6 0.04 0.16 ++ +* + + peak 2753 Upper HB VAL 77 - HG2 ARG 78 4.22 6 0.06 0.31 ++ +* + + peak 2775 Upper H ARG 78 - HD3 ARG 78 5.04 7 0.10 0.35 ++ *+ +++ peak 1021 Upper HA LYS 80 - HG LEU 84 3.78 9 0.45 1.08 ++* + ++ + ++ peak 812 Upper H GLN 82 - QE MET 83 5.50 14 0.12 0.23 + +++++ ++ +++*++ peak 1646 Upper HB VAL 88 - H LEU 89 3.24 15 0.68 1.03 ++++++++ + ++*+++ peak 1130 Upper HB VAL 88 - H PHE 92 5.50 12 0.16 0.37 ++ +++++ + ++ +* peak 1165 Upper QG1 VAL 88 - HG2 PRO 112 4.27 6 0.06 0.23 + ++* ++ peak 3789 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 0.87 1.27 +++++++*++++++++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 0.93 1.28 +++++++*++++++++++++ peak 8207 Upper H LEU 89 - HG3 PRO 112 4.67 14 0.18 0.42 +++ +*++ + + +++++ peak 3813 Upper HA LEU 89 - QD2 LEU 89 2.93 7 0.08 0.42 + ++ + + +* peak 856 Upper QD1 LEU 89 - HD2 PRO 112 5.50 7 0.07 0.29 * + + ++ + + peak 3775 Upper QD2 LEU 89 - H ALA 116 5.24 9 0.10 0.45 + +++ * + + ++ peak 3198 Upper HA GLN 91 - H ALA 95 5.50 11 0.22 0.53 + *++ ++ +++++ peak 1860 Upper H PHE 92 - H ALA 95 5.50 7 0.06 0.19 * ++ + +++ peak 426 Upper H PHE 92 - QB ALA 95 5.50 14 0.21 0.46 ++++++++* + ++ + + peak 1728 Upper QD PHE 92 - HG LEU 93 4.89 12 0.16 0.40 +* + ++ ++ ++ + ++ peak 3284 Upper QD PHE 92 - QD1 LEU 93 5.16 11 0.11 0.26 ++ ++ +++++ *+ peak 3296 Upper QD PHE 92 - QD1 LEU 96 4.63 13 0.19 0.47 ++ + + +++++ + ++* peak 148 Upper QD PHE 92 - QB ALA 361 3.23 20 4.20 4.34 +++++++++++++*++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 0.79 1.04 +++++++++*++++++++++ peak 8215 Upper QE PHE 92 - QD1 LEU 96 4.06 20 0.62 1.02 +++++++++++++++++++* peak 165 Upper QE PHE 92 - QD2 LEU 96 4.26 11 0.14 0.47 ++ + + ++ + ++ +* peak 3349 Upper QE PHE 92 - QQG VAL 104 4.97 9 0.14 0.65 +++ ++ ++ * + peak 3580 Upper QE PHE 92 - HB VAL 119 5.50 10 0.14 0.42 +++ ++ +++ *+ peak 157 Upper QE PHE 92 - QB ALA 361 3.18 20 2.49 2.65 +++++++++++++*++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 10 0.19 0.62 ++ + *++++ ++ peak 8216 Upper HZ PHE 92 - QD2 LEU 96 5.23 18 0.33 0.72 ++ +++++++ ++++++++* peak 183 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 1.79 2.34 +++++++++++++*++++++ peak 8306 Upper H LEU 93 - QD1 LEU 96 5.50 17 0.28 0.49 +++++++ +++++ ++ ++* peak 3357 Upper HA LEU 93 - QD1 LEU 96 3.59 12 0.12 0.24 ++ *+ + + +++ + ++ peak 3332 Upper HB2 LEU 93 - QD1 LEU 96 5.50 16 0.18 0.35 +++*+++ +++++ ++ ++ peak 3258 Upper HB3 LEU 93 - QD1 LEU 96 4.79 12 0.15 0.38 ++ ++++ *++++ + peak 3320 Upper HB3 LEU 93 - HE21 GLN 101 5.50 18 0.23 0.42 ++++++++*++++++ +++ peak 1199 Upper HG LEU 93 - QD1 LEU 96 4.61 6 0.34 1.44 + + ++ *+ peak 3265 Upper QD2 LEU 93 - HG2 GLN 101 4.71 9 0.13 0.35 ++ + ++* + ++ peak 3269 Upper QD2 LEU 93 - QG GLN 105 5.22 9 0.09 0.39 ++ +*+ + ++ + peak 3269 Upper H GLY 94 - H LEU 96 5.50 10 0.13 0.37 +++++++ * + + peak 432 Upper H ALA 95 - HG LEU 96 5.50 12 0.50 0.91 +++++++ * + ++ + peak 3361 Upper QB ALA 95 - QD PHE 350 3.01 20 4.42 4.96 +++++++++++++*++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 2.65 3.09 +++++++++++++*++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 0.76 0.94 ++++++++++++++++*+++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 2.06 2.27 ++++++++++++++++*+++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 1.49 1.66 +++++++++++++++*++++ peak 8176 Upper H LEU 96 - HB3 LEU 96 3.77 8 0.10 0.27 + + ++ + *++ peak 1187 Upper H LEU 96 - QD2 LEU 96 3.81 7 0.11 0.36 + *+ + +++ peak 1189 Upper H LEU 96 - H GLN 101 5.50 7 0.07 0.29 * ++ + +++ peak 468 Upper H LEU 96 - HA GLN 101 5.39 7 0.09 0.35 * ++ + +++ peak 3521 Upper HB2 LEU 96 - HE21 GLN 101 4.34 9 0.11 0.31 ++ ++*+ + + + peak 1198 Upper HB3 LEU 96 - QD TYR 352 5.50 20 0.49 0.88 +++++++++++++++++++* peak 8340 Upper QD1 LEU 96 - H ILE 100 4.83 11 0.15 0.35 ++++++ ++ + +* peak 234 Upper QD1 LEU 96 - H GLN 105 5.50 14 0.21 0.42 +++++++++ + +* + + peak 3359 Upper QD2 LEU 96 - HG3 PRO 97 5.50 20 0.47 0.64 ++*+++++++++++++++++ peak 3410 Upper QD2 LEU 96 - H ILE 100 5.50 20 0.56 0.86 +++*++++++++++++++++ peak 284 Upper QD2 LEU 96 - HB ILE 100 4.57 6 0.07 0.39 ++ ++ * + peak 3464 Upper QD2 LEU 96 - HG13 ILE 100 5.50 10 0.19 0.48 ++++++ + * ++ peak 3471 Upper QD2 LEU 96 - H VAL 119 5.05 12 0.18 0.54 +++++++ + ++ * + peak 1315 Upper QD2 LEU 96 - QD TYR 352 3.68 20 0.47 0.73 +++++++++++++++++++* peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 19 0.31 0.50 +++ ++++++++*+++++++ peak 8182 Upper QB GLU 99 - HG12 ILE 100 3.90 8 0.17 0.46 +++ ++*+ + peak 3476 Upper QG2 ILE 100 - H LEU 122 5.30 12 0.17 0.40 ++ + ++ + ++*++ + peak 1675 Upper QG2 ILE 100 - H ARG 123 4.28 6 0.10 0.55 + ++ + +* peak 1302 Upper QG2 ILE 100 - QB ARG 123 3.34 9 0.21 0.73 +++ * ++ + ++ peak 4039 Upper QD1 ILE 100 - HA VAL 119 5.50 6 0.06 0.24 *+ +++ + peak 2730 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.40 1.56 ++++++++*+++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.07 1.24 +++++++*++++++++++++ peak 8114 Upper HB2 GLN 101 - HE22 GLN 101 3.72 16 0.13 0.22 ++++++++*++++ + ++ peak 1204 Upper HA ALA 102 - HE22 GLN 105 5.50 19 0.18 0.28 ++*+++++++++++ +++++ peak 497 Upper QB ALA 102 - HE21 GLN 105 5.50 16 0.16 0.26 +++*+ ++ +++++ ++ ++ peak 1223 Upper H VAL 104 - HB3 LEU 118 5.50 8 0.09 0.21 + +* +++++ peak 3909 Upper H GLN 107 - HD3 PRO 109 5.50 8 0.11 0.27 ++ + * + + + + peak 3708 Upper HB3 PRO 109 - HB3 SER 111 5.50 6 0.07 0.21 + *+ + + + peak 3739 Upper H GLY 110 - HG2 GLU 114 5.50 8 0.09 0.20 + + + *++++ peak 3871 Upper H SER 111 - QD1 LEU 118 5.50 6 0.05 0.19 + +*++ + peak 1265 Upper HB2 PRO 112 - H GLU 114 5.50 10 0.11 0.30 *+ ++ +++ +++ peak 3807 Upper HB2 PRO 112 - QD1 LEU 362 4.16 20 0.73 1.06 +++++++++++++++++++* peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 1.02 1.23 +++++*++++++++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 0.43 0.62 ++++++++++++++*+++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 20 0.44 0.69 ++++++++++++++*+++++ peak 8268 Upper H GLU 113 - QD2 LEU 362 5.50 17 0.37 0.56 ++++++++++*++++ ++ peak 1275 Upper HG2 GLU 113 - QD2 LEU 362 5.50 16 0.26 0.60 +++ ++*+++++ +++++ peak 3833 Upper H GLU 114 - QD2 LEU 118 5.50 16 0.17 0.68 +++ ++++++++ +*+++ peak 1278 Upper H ALA 117 - HG2 GLU 360 5.20 11 0.24 0.59 +++ ++ +++*+ + peak 1290 Upper HA ALA 117 - HB3 ASP 120 3.58 6 0.09 0.43 + + + +* + peak 1485 Upper HA LEU 118 - HG LEU 122 4.26 6 0.12 0.52 * + +++ + peak 528 Upper QG2 VAL 119 - QD ARG 123 4.74 10 0.12 0.44 +++*+ ++ ++ + peak 1756 Upper HA ASP 120 - HG3 ARG 123 5.14 6 0.08 0.36 + + * + + + peak 4032 Upper QA GLY 121 - HB3 LEU 122 5.50 14 0.12 0.17 +++++++++ + +*++ peak 3608 Upper H ALA 342 - HB3 TRP 372 5.14 19 0.22 0.33 ++++++++*+++ +++++++ peak 702 Upper H ALA 343 - QD ARG 346 5.50 6 0.06 0.20 + + + *+ + peak 694 Upper QB ALA 343 - HG3 ARG 344 5.50 6 0.07 0.27 + ++ +* + peak 1824 Upper H ARG 344 - HD2 ARG 344 5.50 7 0.10 0.31 +++ + ++* peak 705 Upper HA ARG 344 - HD1 TRP 372 5.50 13 0.15 0.44 +++ ++ + + +*++ + + peak 1842 Upper HG3 ARG 344 - HZ2 TRP 372 5.39 6 0.07 0.29 ++ * + + + peak 199 Upper HB3 LEU 345 - QD2 LEU 345 3.02 7 0.06 0.17 ++ + * + ++ peak 1942 Upper H ARG 346 - QD2 LEU 368 5.38 15 0.38 0.66 +++ ++ + ++++++ ++ * peak 668 Upper HB2 PHE 347 - QD2 LEU 368 3.41 18 0.35 0.99 ++++ ++++++++++++*+ peak 2483 Upper QE PHE 347 - HB3 LEU 368 5.12 8 0.07 0.25 *+ + ++ + ++ peak 2524 Upper QE PHE 347 - QG2 VAL 388 4.25 9 0.09 0.33 + ++ ++ + + +* peak 3164 Upper QE PHE 347 - H PHE 392 5.50 8 0.06 0.17 ++ +* + + ++ peak 425 Upper HZ PHE 347 - HG LEU 387 4.88 7 0.09 0.43 + + + * ++ + peak 3099 Upper HZ PHE 347 - QD1 LEU 387 4.97 6 0.08 0.34 * + + ++ + peak 8274 Upper HA PHE 350 - QD2 LEU 365 5.50 6 0.07 0.29 *++ + + + peak 2035 Upper HB3 PHE 350 - QD1 LEU 368 5.50 15 0.22 0.53 *++ ++ + ++++++ ++ + peak 2498 Upper HB3 PHE 350 - QB ALA 395 5.50 14 0.39 1.25 +*+ + ++++++++ ++ peak 2008 Upper QD PHE 350 - HA GLN 359 4.01 10 0.43 1.47 + + +++ + *+ ++ peak 83 Upper QD PHE 350 - QD2 LEU 365 4.32 8 0.12 0.54 +* + +++ + + peak 2403 Upper QD PHE 350 - QB ALA 395 4.15 17 0.41 0.97 ++*+++ ++++++++ +++ peak 1722 Upper QE PHE 350 - HA ALA 361 4.28 9 0.18 0.68 ++ + *+ +++ + peak 2258 Upper QE PHE 350 - QB ALA 395 4.34 12 0.22 0.49 ++ ++ ++*+++ + + peak 1723 Upper HB3 HIS 351 - HE1 HIS 351 5.13 11 0.08 0.19 * + + ++++ + ++ + peak 257 Upper QB TYR 352 - H ALA 395 5.50 20 0.43 0.64 *+++++++++++++++++++ peak 1114 Upper QB TYR 352 - QB ALA 395 3.93 19 0.26 0.48 ++++++++++*++ ++++++ peak 1713 Upper QD TYR 352 - QB ALA 355 5.49 11 0.13 0.29 ++++* + +++++ peak 247 Upper QD TYR 352 - QB ALA 395 4.25 20 0.33 0.55 ++++++++++*+++++++++ peak 246 Upper QD TYR 352 - QD1 LEU 396 5.13 14 0.27 0.74 +++++ ++*++++ ++ peak 251 Upper QD TYR 352 - HG3 PRO 397 5.03 12 0.26 0.74 + ++ ++++ +*+ + + peak 3432 Upper QD TYR 352 - HD3 PRO 397 3.70 19 0.61 0.95 +++++++++++++*++ +++ peak 241 Upper QD TYR 352 - QD1 ILE 400 5.07 6 0.08 0.27 + + +++ * peak 3486 Upper QE TYR 352 - QG2 THR 356 5.50 15 0.18 0.34 ++++++ +++++*+ + + peak 1769 Upper QE TYR 352 - QD1 LEU 396 5.42 10 0.14 0.38 +++ ++*+ ++ + peak 239 Upper QE TYR 352 - QD2 LEU 396 3.63 20 0.40 0.53 ++++++++++*+++++++++ peak 240 Upper HA GLU 354 - H GLY 357 5.25 9 0.16 0.56 ++ *+ + ++ ++ peak 2185 Upper HA THR 356 - HG3 GLU 360 5.50 12 0.20 0.58 + ++++ ++++* ++ peak 2108 Upper QG2 THR 356 - H GLY 357 3.91 6 0.06 0.21 +* + + + + peak 827 Upper QG2 THR 356 - HD3 PRO 358 5.50 18 0.31 0.79 +++++++ +++++ +++++* peak 1764 Upper QG2 THR 356 - HB3 GLU 360 3.51 17 0.65 1.10 +++ ++ ++++*+++++++ peak 1767 Upper QG2 THR 356 - HG2 GLU 360 3.88 10 0.28 0.98 + +++ +*++ ++ peak 2231 Upper QG2 THR 356 - HG3 GLU 360 3.72 13 0.56 1.17 +++ ++ + ++++* ++ peak 1765 Upper HB2 PRO 358 - QE PHE 392 4.87 20 0.82 1.22 +++*++++++++++++++++ peak 2170 Upper HB2 PRO 358 - HB2 LEU 396 5.50 9 0.17 0.74 + ++ + ++*+ + peak 3337 Upper HB2 PRO 358 - QB ALA 416 5.50 20 0.87 1.09 +++*++++++++++++++++ peak 8262 Upper HB2 PRO 358 - QG1 VAL 419 5.24 17 0.29 0.75 +++++*+++ + +++++ ++ peak 2133 Upper HB2 PRO 358 - QG2 VAL 419 4.88 19 0.35 0.70 +++++++++ *+++++++++ peak 2131 Upper HB3 PRO 358 - HE21 GLN 359 4.43 13 0.29 0.64 ++ ++++ + + ++* ++ peak 848 Upper HB3 PRO 358 - HE22 GLN 359 4.22 20 0.38 0.78 +++++*++++++++++++++ peak 8254 Upper HG2 PRO 358 - QE PHE 392 5.50 14 0.23 0.72 + ++++++ + * +++++ peak 157 Upper HG2 PRO 358 - HA LEU 396 5.24 8 0.11 0.70 + ++ ++ + * + peak 3344 Upper HD3 PRO 358 - HE22 GLN 359 5.50 19 0.57 0.87 *+++++++++ +++++++++ peak 2162 Upper HD3 PRO 358 - QB ALA 395 4.36 8 0.09 0.26 + + ++* ++ + peak 1715 Upper H GLN 359 - HG3 GLN 359 3.89 6 0.12 0.42 + + * ++ + peak 2219 Upper H GLN 359 - H LEU 362 5.50 8 0.10 0.39 * +++ + ++ + peak 161 Upper H GLN 359 - HB2 LEU 362 5.50 14 0.30 0.71 ++ ++++++ + +*+ ++ peak 2295 Upper H GLN 359 - QD1 LEU 362 5.42 8 0.20 0.69 ++ ++ + *+ + peak 842 Upper H GLN 359 - QG2 VAL 419 5.50 20 0.76 0.98 ++++*+++++++++++++++ peak 841 Upper HA GLN 359 - HE22 GLN 359 4.88 9 0.14 0.50 + + ++*+++ + peak 867 Upper HA GLN 359 - QD1 LEU 362 3.82 11 0.23 0.61 ++ +++ + ++*+ + peak 2290 Upper HA GLN 359 - QD2 LEU 362 5.50 11 0.13 0.33 ++ + + +++ ++ *+ peak 2195 Upper HA GLN 359 - H ALA 363 5.34 7 0.06 0.21 + + + *+++ peak 2216 Upper HA GLN 359 - QE PHE 392 4.34 17 0.29 0.64 +++++++++*+++++++ peak 111 Upper QB GLN 359 - QD2 LEU 362 4.32 9 0.18 0.59 + + +++ ++ *+ peak 2266 Upper HG2 GLN 359 - QB ALA 416 4.35 12 0.34 0.98 +++ *+ + ++++ + + peak 2206 Upper HE21 GLN 359 - QD1 LEU 362 5.50 10 0.20 0.74 ++ +++ ++++ * peak 852 Upper HE21 GLN 359 - HA ALA 416 4.32 19 0.41 0.87 +++*++++++ +++++++++ peak 844 Upper HE21 GLN 359 - QB ALA 416 3.70 6 0.08 0.34 +*+ + + + peak 850 Upper HA GLU 360 - HG2 GLU 360 3.49 9 0.10 0.25 + + + ++*++ + peak 135 Upper HA GLU 360 - H ALA 363 4.30 6 0.06 0.25 ++ +* + + peak 389 Upper HA GLU 360 - QB ALA 363 4.08 6 0.12 0.53 ++ ++ +* peak 2225 Upper HB2 GLU 360 - QB ALA 361 4.25 13 0.15 0.29 +++ ++ ++*+++ ++ peak 1607 Upper HG2 GLU 360 - H LEU 362 5.50 8 0.11 0.55 + +++ + +* + peak 2244 Upper H ALA 361 - H ALA 363 4.14 15 0.20 0.40 +++ ++ ++ ++*++++ + peak 178 Upper HA ALA 361 - HG3 GLN 364 3.84 9 0.10 0.25 + +++ + ++ *+ peak 2349 Upper H LEU 362 - HB2 LEU 365 5.50 7 0.08 0.47 + * + +++ + peak 2389 Upper H LEU 362 - HB3 LEU 365 5.50 8 0.13 0.48 ++ ++ + +* + peak 2390 Upper H LEU 362 - QE PHE 392 5.50 18 0.30 0.53 ++++*++++++++++ ++ + peak 187 Upper H LEU 362 - QB ALA 395 5.24 6 0.06 0.26 * + +++ + peak 1726 Upper HB3 LEU 362 - HA LEU 389 5.47 9 0.13 0.52 * +++ + ++ + + peak 1873 Upper HB3 LEU 362 - H PHE 392 4.60 11 0.16 0.45 ++ +++ + ++*+ + peak 1168 Upper HG LEU 362 - HA PRO 412 5.50 9 0.68 1.73 ++ + +++* ++ peak 2291 Upper HG LEU 362 - HB3 PRO 412 5.05 9 0.18 0.50 ++ + *+++ ++ peak 2282 Upper QD1 LEU 362 - H GLU 413 5.45 8 0.12 0.42 +* + +++ ++ peak 2307 Upper QD1 LEU 362 - HA GLU 413 4.94 10 0.19 0.68 ++ + +++*+ ++ peak 3837 Upper QD2 LEU 362 - HG LEU 365 4.50 15 0.54 1.57 + ++ +++*++++ + +++ peak 2375 Upper QD2 LEU 362 - HB3 PRO 412 3.47 11 0.18 0.58 ++ +++ + *+++ + peak 2265 Upper QD2 LEU 362 - H GLU 413 5.50 20 0.57 1.05 +++++++++++++++++++* peak 2316 Upper H GLN 364 - HB2 LEU 365 5.50 8 0.22 0.77 + + * +++ ++ peak 2389 Upper H GLN 364 - HB3 LEU 365 5.50 12 0.28 0.67 +* ++ ++ + +++ ++ peak 2390 Upper H GLN 364 - HG LEU 365 5.50 6 0.28 1.00 ++ + + +* peak 2392 Upper H GLN 364 - H ARG 366 4.58 6 0.06 0.19 + + ++ + * peak 208 Upper HA ARG 366 - QG2 VAL 388 3.01 6 0.08 0.34 ++ *+ + + peak 8234 Upper QB ARG 366 - HA VAL 388 5.50 7 0.07 0.26 ++ + * +++ peak 3139 Upper QG ARG 366 - QG2 VAL 388 4.41 11 0.19 0.52 ++ ++++*+ +++ peak 3144 Upper H GLU 367 - HG LEU 368 5.50 8 0.38 1.25 + + ++ * + ++ peak 2527 Upper H GLU 367 - QD2 LEU 368 4.46 19 0.35 0.72 +++++*+++++++++++++ peak 2531 Upper H GLU 367 - QD1 LEU 384 5.50 9 0.21 0.74 + ++++ + + + * peak 957 Upper QB GLU 367 - QD2 LEU 368 4.06 15 0.21 0.44 ++ ++*+ ++++++ ++ + peak 2463 Upper H LEU 368 - HB3 LEU 368 3.49 8 0.07 0.12 ++ +++* + + peak 972 Upper QD1 LEU 368 - HB3 CYS 369 5.50 6 0.07 0.31 + + ++ * + peak 2499 Upper HB3 CYS 369 - QG2 VAL 388 4.76 12 0.18 0.39 ++ + +++++ +++* peak 2557 Upper H TRP 372 - HG LEU 373 5.50 7 0.10 0.35 * + + + +++ peak 1935 Upper HB3 TRP 372 - H ARG 374 5.50 10 0.13 0.37 ++ + + +*+++ + peak 2642 Upper HE3 TRP 372 - HG LEU 373 5.50 18 0.20 0.34 +++++++++ ++++ *++++ peak 1934 Upper HE1 TRP 372 - HB3 LEU 373 5.01 10 0.12 0.21 + +++++ + * ++ peak 255 Upper HZ2 TRP 372 - HB3 LEU 373 4.60 11 0.09 0.21 + *+ +++ + + +++ peak 194 Upper HH2 TRP 372 - HA LEU 387 4.68 15 0.17 0.28 + ++++ +* ++ + +++++ peak 120 Upper HG LEU 373 - QE MET 383 2.70 8 0.07 0.14 + *++ + +++ peak 8122 Upper QD1 LEU 373 - H VAL 388 5.50 14 0.18 0.39 *++ ++ ++++++++ + peak 1124 Upper QD2 LEU 373 - HB3 LEU 386 4.58 6 0.12 0.64 * + + + + + peak 3065 Upper QB PRO 375 - HB2 LYS 380 3.63 7 0.09 0.44 * + +++ + + peak 2696 Upper HD3 PRO 375 - H GLU 376 4.44 8 0.10 0.29 ++ + ++++* peak 311 Upper H GLU 376 - QD1 LEU 384 5.50 17 0.24 0.63 ++ ++ ++++++ ++++++* peak 1008 Upper HB2 ARG 378 - HG2 MET 383 5.16 7 0.06 0.14 + * ++ + + + peak 2780 Upper HA LYS 380 - HG LEU 384 3.78 9 0.39 1.03 * +++ +++ ++ peak 812 Upper H GLN 382 - QE MET 383 5.50 14 0.12 0.19 ++ ++++++++*+ ++ peak 1646 Upper HB VAL 388 - H LEU 389 3.24 13 0.61 1.03 ++ +++++*+ ++++ peak 1130 Upper HB VAL 388 - H PHE 392 5.50 8 0.12 0.35 +++ + ++* + peak 1165 Upper QG2 VAL 388 - HG2 PRO 412 5.50 8 0.15 0.74 *+ ++++ ++ peak 3788 Upper H LEU 389 - HG3 PRO 412 4.67 13 0.19 0.47 +++ ++*+++++ + + peak 3813 Upper QD1 LEU 389 - HD2 PRO 412 5.50 10 0.09 0.23 + ++ ++++ +*+ peak 3775 Upper QD2 LEU 389 - H ALA 416 5.24 6 0.11 0.57 + + * + ++ peak 3198 Upper HA GLN 391 - H ALA 395 5.50 13 0.19 0.43 ++ ++ ++++ *+ ++ + peak 1860 Upper H PHE 392 - QB ALA 395 5.50 14 0.23 0.43 +++ ++++ ++ ++*++ peak 1728 Upper QD PHE 392 - HG LEU 393 4.89 9 0.15 0.44 + ++ +* ++ + + peak 3284 Upper QD PHE 392 - QD1 LEU 393 5.16 9 0.09 0.26 *+++ ++ ++ + peak 3296 Upper QD PHE 392 - QD1 LEU 396 4.63 8 0.13 0.44 + *+ ++ ++ + peak 148 Upper QE PHE 392 - QD2 LEU 393 3.99 6 0.06 0.26 ++ ++ +* peak 164 Upper QE PHE 392 - QD1 LEU 396 4.06 18 0.49 1.00 ++++*+ ++++++++ ++++ peak 165 Upper QE PHE 392 - QD2 LEU 396 4.26 9 0.10 0.40 + + +++++* + peak 3349 Upper QE PHE 392 - QQG VAL 404 4.97 10 0.19 0.64 *++ ++++ + ++ peak 3580 Upper QE PHE 392 - HB VAL 419 5.50 12 0.15 0.43 + ++ ++ ++ +++*+ peak 157 Upper HZ PHE 392 - QD2 LEU 396 5.23 12 0.30 0.72 ++++ +*++++ ++ peak 183 Upper HZ PHE 392 - QB ALA 415 4.74 6 0.06 0.24 +++ + * + peak 178 Upper H LEU 393 - HG LEU 393 4.42 8 0.06 0.17 + ++ ++ + * + peak 3285 Upper H LEU 393 - QD1 LEU 396 5.50 12 0.19 0.47 ++ *+ ++++++ + + peak 3357 Upper HA LEU 393 - QD1 LEU 396 3.59 8 0.07 0.22 + *+ ++ ++ + peak 3332 Upper HB2 LEU 393 - QD1 LEU 396 5.50 10 0.10 0.29 ++ +* ++ ++ + + peak 3258 Upper HB3 LEU 393 - QD1 LEU 396 4.79 9 0.10 0.36 ++ ++ +* + + + peak 3320 Upper HB3 LEU 393 - HE21 GLN 401 5.50 13 0.18 0.39 ++++++ +++* + + + peak 1199 Upper HG LEU 393 - QD1 LEU 396 4.61 11 0.56 1.48 + ++ ++++ * ++ + peak 3265 Upper QD1 LEU 393 - QG GLN 405 3.80 6 0.08 0.22 + + * + + + peak 3599 Upper QD2 LEU 393 - QG GLN 405 5.22 6 0.05 0.17 + * + + + + peak 3269 Upper H GLY 394 - H LEU 396 5.50 10 0.12 0.33 ++++ + +* ++ + peak 432 Upper H ALA 395 - HG LEU 396 5.50 14 0.52 0.87 ++++ ++ + *+ +++++ peak 3361 Upper H LEU 396 - HB3 LEU 396 3.77 6 0.08 0.27 ++ + * ++ peak 1187 Upper H LEU 396 - QD2 LEU 396 3.81 6 0.10 0.36 *+ + + ++ peak 1189 Upper H LEU 396 - H GLN 401 5.50 7 0.09 0.30 ++ * + ++ + peak 468 Upper H LEU 396 - HA GLN 401 5.39 6 0.09 0.39 ++ * + ++ peak 3521 Upper HA LEU 396 - H GLN 401 5.50 7 0.06 0.18 ++ + + ++ * peak 3367 Upper HB2 LEU 396 - HE21 GLN 401 4.34 9 0.09 0.30 ++++ + +* + + peak 1198 Upper QD1 LEU 396 - H ILE 400 4.83 10 0.14 0.34 +*+ ++ ++ + ++ peak 234 Upper QD1 LEU 396 - H GLN 405 5.50 14 0.24 0.42 +++* ++ + ++ +++++ peak 3359 Upper QD2 LEU 396 - HG3 PRO 397 5.50 20 0.48 0.65 +*++++++++++++++++++ peak 3410 Upper QD2 LEU 396 - H ILE 400 5.50 20 0.57 0.84 ++*+++++++++++++++++ peak 284 Upper QD2 LEU 396 - HG13 ILE 400 5.50 9 0.16 0.48 ++*+ + ++ + + peak 3471 Upper QD2 LEU 396 - H VAL 419 5.05 13 0.22 0.57 ++++ ++ * ++ ++ ++ peak 1315 Upper QB GLU 399 - HG12 ILE 400 3.90 6 0.13 0.48 + + + +*+ peak 3476 Upper QG2 ILE 400 - H LEU 422 5.30 10 0.13 0.40 ++* + +++ + ++ peak 1675 Upper QG2 ILE 400 - H ARG 423 4.28 6 0.07 0.29 + + +* + + peak 1302 Upper QG2 ILE 400 - QB ARG 423 3.34 13 0.21 0.71 ++ +++ + +++ *++ + peak 4039 Upper HB2 GLN 401 - HE22 GLN 401 3.72 11 0.11 0.20 ++++ ++*+ + + + peak 1204 Upper HA ALA 402 - HE22 GLN 405 5.50 19 0.15 0.21 ++++++++*++++++++++ peak 497 Upper QB ALA 402 - HE21 GLN 405 5.50 13 0.13 0.26 +++ + *+++++++ + peak 1223 Upper H VAL 404 - HB3 LEU 418 5.50 6 0.08 0.26 + ++ + * + peak 3909 Upper H GLN 407 - HD3 PRO 409 5.50 13 0.15 0.54 ++ ++ ++ +*+ ++++ peak 3708 Upper HB3 PRO 409 - HB3 SER 411 5.50 7 0.06 0.20 + * + ++ ++ peak 3739 Upper H GLY 410 - HG2 GLU 414 5.50 6 0.07 0.25 ++ +*++ peak 3871 Upper HB2 PRO 412 - H GLU 414 5.50 9 0.12 0.34 + +++ + ++ +* peak 3807 Upper H GLU 414 - QD2 LEU 418 5.50 14 0.12 0.20 ++ ++++* ++ ++++ + peak 1278 Upper H ALA 417 - QG1 VAL 419 5.40 6 0.06 0.21 *+ ++ + + peak 1298 Upper QB ALA 417 - HB2 ASP 420 4.95 8 0.08 0.30 + + + *++++ peak 1490 Upper HA LEU 418 - HG LEU 422 4.26 8 0.17 0.49 + * + + ++ ++ peak 528 Upper QG2 VAL 419 - QD ARG 423 4.74 13 0.16 0.40 *++++ + + + +++++ peak 1756 Upper QA GLY 421 - HB3 LEU 422 5.50 15 0.12 0.15 +++ * +++ +++++ +++ peak 3608 Upper HA LEU 422 - QD2 LEU 422 3.44 7 0.06 0.27 + * + + ++ + peak 934 Upper HB2 LEU 422 - H ARG 423 4.07 6 0.06 0.21 + + + * ++ peak 1301 Upper H ARG 423 - HG2 ARG 423 3.95 8 0.10 0.32 + ++ * + + ++ peak 4044 Upper H ARG 423 - HG3 ARG 423 4.34 8 0.07 0.25 + + *+ + ++ + peak 3563 VdW O LEU 45 - HB2 CYS 49 2.30 16 0.23 0.32 ++++ + ++++* ++++++ VdW HA ARG 46 - HB2 CYS 49 2.00 9 0.11 0.27 * + + + + ++++ VdW CG PHE 47 - C PHE 47 2.90 14 0.20 0.24 + +++++++* + + + ++ VdW CD1 PHE 50 - O PRO 58 2.90 10 0.15 0.34 ++ + *++ + + ++ VdW HD1 PHE 50 - O PRO 58 2.30 11 0.17 0.41 ++ + *++ + ++ ++ VdW CE1 PHE 50 - O GLY 57 2.90 12 0.24 0.50 ++++ +++ + +* ++ VdW CE1 PHE 50 - HB3 GLU 60 2.60 6 0.13 0.35 + + * + ++ VdW HE1 PHE 50 - O GLY 57 2.30 7 0.13 0.28 ++ +*++ + VdW CZ PHE 50 - O GLY 57 2.90 16 0.27 0.43 ++++++*++ ++ +++++ VdW CZ PHE 50 - HB3 GLU 60 2.60 7 0.17 0.34 + + + * + ++ VdW CZ PHE 50 - CG GLU 60 3.20 14 0.20 0.29 ++* +++ + ++ ++++ + VdW CZ PHE 50 - HG2 GLU 60 2.60 7 0.18 0.49 +++*+ + + VdW HZ PHE 50 - O THR 56 2.30 12 0.26 0.47 ++ +*++ + + ++ ++ VdW HZ PHE 50 - CD GLU 60 2.50 13 0.20 0.34 + +++* ++ ++++++ VdW CE2 PHE 50 - O GLY 57 2.90 7 0.14 0.52 +++* + ++ VdW CD2 PHE 50 - O PRO 58 2.90 7 0.10 0.36 ++*+ + ++ VdW HD2 PHE 50 - O PRO 58 2.30 7 0.11 0.44 +++* + ++ VdW CB TYR 52 - CA PRO 58 3.20 13 0.23 0.38 ++ + +* + + ++++++ VdW CB TYR 52 - HA PRO 58 2.60 20 0.39 0.50 ++++++++++++++++++*+ VdW HB2 TYR 52 - C GLY 57 2.50 18 0.35 0.56 +++++++++ *++ ++++++ VdW HB2 TYR 52 - O GLY 57 2.30 11 0.23 0.52 ++++++ + * ++ + VdW HB3 TYR 52 - HA PRO 58 2.00 16 0.31 0.47 ++ +++++*++ + +++ ++ VdW CG TYR 52 - C TYR 52 2.90 19 0.23 0.24 ++++++++*++++ ++++++ VdW CD2 TYR 52 - HD3 PRO 58 2.60 12 0.22 0.55 ++ ++ *++ + ++ ++ VdW OH TYR 52 - OH TYR 352 2.60 20 0.58 0.64 ++*+++++++++++++++++ VdW H GLU 53 - HB THR 56 1.95 14 0.26 0.39 ++ ++++++ + * ++ ++ VdW CB GLU 53 - H GLU 54 2.55 20 0.27 0.34 +++++++++*++++++++++ VdW C ALA 55 - H GLY 57 2.45 7 0.18 0.37 + + *+++ + VdW O ALA 55 - CG2 VAL 419 2.90 8 0.14 0.33 *+ +++ ++ + VdW CG2 THR 56 - O THR 56 2.90 7 0.16 0.37 + + ++*+ + VdW C THR 56 - O GLY 57 2.80 6 0.08 0.29 + + ++ * + VdW O THR 56 - C GLY 57 2.80 6 0.14 0.48 * + ++ + + VdW O THR 56 - O GLY 57 2.60 8 0.33 0.92 + + ++ ++ * + VdW O THR 56 - CD GLU 60 2.80 9 0.14 0.33 ++ ++ + + +* + VdW HA2 GLY 57 - CD PRO 58 2.60 19 0.26 0.30 +++++++*++++++ +++++ VdW HA3 GLY 57 - HE21 GLN 359 1.95 12 0.21 0.44 +* +++++ + ++ ++ VdW CD PRO 58 - CD PRO 358 3.20 20 0.67 0.76 +++*++++++++++++++++ VdW CD PRO 58 - CG PRO 358 3.20 20 0.40 0.53 +++*++++++++++++++++ VdW CD PRO 58 - HG2 PRO 358 2.60 8 0.16 0.41 + + + + ++ +* VdW CD PRO 58 - HD2 PRO 358 2.60 19 0.71 1.00 ++++++*++++++ ++++++ VdW CB PRO 58 - CA ALA 95 3.20 19 0.42 0.64 +++++++++++*+ ++++++ VdW CB PRO 58 - HA ALA 95 2.60 7 0.12 0.40 * ++ + +++ VdW CB PRO 58 - CB ALA 95 3.20 19 0.47 0.60 +++*+++++++++ ++++++ VdW CB PRO 58 - HB3 ALA 95 2.60 8 0.13 0.33 ++ ++ +* ++ VdW CB PRO 58 - C ALA 95 3.10 20 0.46 0.71 ++++++++++++*+++++++ VdW CB PRO 58 - O ALA 95 2.90 9 0.25 0.66 * + ++ ++ +++ VdW HB2 PRO 58 - CA ALA 95 2.60 19 0.68 0.97 +++++++++++++ +++*++ VdW HB2 PRO 58 - HA ALA 95 2.00 7 0.14 0.63 * + ++ + + + VdW HB2 PRO 58 - CB ALA 95 2.60 20 0.93 1.07 ++++++++++++++++*+++ VdW HB2 PRO 58 - HB1 ALA 95 2.00 12 0.28 0.81 ++++ + + *+++ ++ VdW HB2 PRO 58 - HB2 ALA 95 2.00 9 0.22 0.60 *+++ + ++ + + VdW HB2 PRO 58 - HB3 ALA 95 2.00 11 0.30 0.65 ++ +++ ++ +* ++ VdW HB2 PRO 58 - C ALA 95 2.50 14 0.32 0.70 ++ + ++++ +*+++ + + VdW HB3 PRO 58 - C ALA 95 2.50 9 0.20 0.35 +++ ++*+ + + VdW CG PRO 58 - CD PRO 358 3.20 18 0.33 0.50 ++++*+ ++++++++++++ VdW CG PRO 58 - HD2 PRO 358 2.60 20 0.67 0.88 ++++*+++++++++++++++ VdW HG2 PRO 58 - HD2 PRO 358 2.00 8 0.23 0.67 + + * ++++ + VdW HG3 PRO 58 - CA GLY 357 2.60 9 0.18 0.52 + + +++ + ++ * VdW HG3 PRO 58 - HD2 PRO 358 2.00 12 0.23 0.46 ++ ++++ + + ++ +* VdW HD2 PRO 58 - CD PRO 358 2.60 17 0.53 0.98 ++*++++++++++++ + + VdW HD2 PRO 58 - CG PRO 358 2.60 20 0.61 0.89 +++++++++++*++++++++ VdW HD2 PRO 58 - HG2 PRO 358 2.00 13 0.37 0.71 ++ ++++++ + ++ +* VdW HD2 PRO 58 - HG3 PRO 358 2.00 8 0.17 0.51 + + + +*++ + VdW HD2 PRO 58 - HD2 PRO 358 2.00 13 0.24 0.45 ++*++++++ ++ + + VdW HD3 PRO 58 - CD PRO 358 2.60 11 0.22 0.57 ++ + ++++ ++ *+ VdW HD3 PRO 58 - HD2 PRO 358 2.00 11 0.27 0.79 ++ + ++++ ++ *+ VdW N GLN 59 - HG2 GLN 59 2.45 11 0.14 0.28 + +*++ + + ++ ++ VdW H GLN 59 - CG GLN 59 2.55 13 0.17 0.30 ++ +*++ + ++ ++ ++ VdW H GLN 59 - HG2 GLN 59 1.95 13 0.29 0.50 ++ +*++ + ++ ++ ++ VdW CB GLN 59 - CB GLN 359 3.20 12 0.21 0.45 + + *+++ +++ +++ VdW CB GLN 59 - HB2 GLN 359 2.60 11 0.25 0.60 ++ ++ * ++ + + + + VdW CB GLN 59 - HB3 GLN 359 2.60 6 0.13 0.52 + + + ++ * VdW HB2 GLN 59 - CB GLN 359 2.60 12 0.26 0.82 + +++ * ++++ + + + VdW HB2 GLN 59 - HB2 GLN 359 2.00 8 0.19 0.66 +++ ++ * + + VdW HB2 GLN 59 - HB3 GLN 359 2.00 8 0.17 0.66 * +++ + ++ + VdW HB2 GLN 59 - CG GLN 359 2.60 6 0.12 0.58 + + ++ * + VdW CG GLN 59 - CB GLN 359 3.20 6 0.13 0.42 + + + ++ * VdW CG GLN 59 - C GLN 359 3.10 7 0.15 0.45 + ++ *+ ++ VdW CG GLN 59 - N GLU 360 3.05 11 0.18 0.35 ++ ++ +++ +* ++ VdW HG2 GLN 59 - HB2 GLN 359 2.00 6 0.12 0.35 + + + + +* VdW HG3 GLN 59 - C GLN 359 2.50 12 0.28 0.59 ++ ++++ + + *+ ++ VdW HG3 GLN 59 - N GLU 360 2.45 15 0.34 0.67 +++++++ +++* ++ ++ VdW HG3 GLN 59 - CA GLU 360 2.60 9 0.15 0.35 ++* + +++ + + VdW CD GLN 59 - CB ALA 95 3.10 16 0.39 0.65 +++++++ ++++ + *+ ++ VdW CD GLN 59 - HB1 ALA 95 2.50 7 0.14 0.48 +* + ++ ++ VdW OE1 GLN 59 - CD1 PHE 92 2.90 9 0.16 0.40 ++ + + + + + +* VdW OE1 GLN 59 - CE1 PHE 92 2.90 10 0.18 0.50 ++ +++ * + + ++ VdW OE1 GLN 59 - CB ALA 95 2.90 16 0.34 0.64 +++++++ ++++ + *+ ++ VdW OE1 GLN 59 - HB1 ALA 95 2.30 7 0.13 0.34 +* + ++ ++ VdW OE1 GLN 59 - HB2 ALA 95 2.30 7 0.15 0.45 + + + *+ ++ VdW NE2 GLN 59 - CB ALA 95 3.05 20 0.40 0.54 +++++++++*++++++++++ VdW C GLN 59 - HG3 GLN 359 2.50 8 0.20 0.67 + + + +++* + VdW N GLU 60 - CG GLN 359 3.05 10 0.19 0.31 + * ++ + +++++ VdW N GLU 60 - HG2 GLN 359 2.45 6 0.10 0.46 + + * ++ + VdW N GLU 60 - HG3 GLN 359 2.45 12 0.30 0.59 +++ ++ + + ++ + * + VdW CA GLU 60 - HG3 GLN 359 2.60 7 0.11 0.33 +*+ + + + + VdW CA GLU 60 - HZ PHE 392 2.60 14 0.24 0.34 ++ *+ + +++ ++ ++++ VdW HA GLU 60 - CZ PHE 392 2.60 20 0.34 0.47 +++++++*++++++++++++ VdW HA GLU 60 - HZ PHE 392 2.00 20 0.46 0.63 ++++++++++++++++++*+ VdW CG GLU 60 - C GLU 60 2.90 15 0.19 0.23 +++++++ + *+ +++++ VdW CG GLU 60 - CB ALA 416 3.20 8 0.16 0.27 + ++++ * ++ VdW HG3 GLU 60 - CB ALA 416 2.60 15 0.24 0.42 +*++++ +++++ ++++ VdW C ALA 61 - HG LEU 65 2.50 12 0.25 0.55 +++ ++*+ + ++++ VdW O ALA 61 - C LEU 62 2.80 19 0.29 0.38 +++++++++++++++++*+ VdW O ALA 61 - N ALA 63 2.75 8 0.18 0.34 ++ ++ + + +* VdW O ALA 61 - N GLN 64 2.75 19 0.31 0.43 ++++++++++*++++++++ VdW O ALA 61 - N LEU 65 2.75 17 0.29 0.39 +++++++++ +++ +*+++ VdW O ALA 61 - H LEU 65 1.80 15 0.26 0.37 +++++++*+ + +++++ VdW HA LEU 62 - CD1 LEU 65 2.60 9 0.18 0.43 +++ *+ + +++ VdW HA LEU 62 - CD2 LEU 65 2.60 8 0.18 0.55 ++ ++++ + * VdW CG LEU 62 - CD1 LEU 362 3.20 7 0.10 0.33 + +* + ++ + VdW CD1 LEU 62 - C LEU 62 3.10 7 0.11 0.50 ++ +*+ + + VdW CD1 LEU 62 - CD2 PHE 92 3.20 6 0.09 0.29 *+ + + ++ VdW CD1 LEU 62 - HD2 PHE 92 2.60 7 0.16 0.53 ++ ++ * ++ VdW CD1 LEU 62 - CG LEU 362 3.20 8 0.10 0.28 ++ *+++ ++ VdW CD1 LEU 62 - CD2 LEU 362 3.20 7 0.16 0.29 + + ++ +* + VdW HD12 LEU 62 - CD1 LEU 362 2.60 6 0.13 0.51 + + + * ++ VdW CD2 LEU 62 - C LEU 62 3.10 11 0.29 0.60 ++* ++++++ ++ VdW CD2 LEU 62 - O LEU 62 2.90 7 0.14 0.44 ++ ++ ++* VdW CD2 LEU 62 - CD1 LEU 362 3.20 9 0.16 0.25 ++ ++ + * + ++ VdW HD21 LEU 62 - CD1 LEU 362 2.60 7 0.14 0.44 + + + *+ + + VdW HD22 LEU 62 - C LEU 62 2.50 6 0.12 0.53 + + + +*+ VdW CB ALA 63 - HB2 PRO 412 2.60 11 0.22 0.41 ++++ ++ *+ ++ + VdW CB ALA 63 - C PRO 412 3.10 10 0.23 0.44 +++ ++*+++ + VdW CB ALA 63 - N GLU 413 3.05 6 0.11 0.27 +++ +* + VdW H GLN 64 - CG GLN 64 2.55 13 0.22 0.33 + + +++++ ++ +* ++ VdW CD1 LEU 65 - HA VAL 88 2.60 7 0.12 0.30 *++ ++ + + VdW CG GLU 67 - C GLU 67 2.90 11 0.20 0.24 ++++ ++ +*+ ++ VdW HA LEU 68 - CD1 LEU 68 2.60 7 0.11 0.45 + + + * +++ VdW CG TRP 72 - N LEU 73 3.05 8 0.20 0.27 + + + + *++ + VdW HG LEU 73 - C LEU 73 2.50 19 0.25 0.31 +++++++++++++*+++ ++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.26 0.28 ++*+++++++++++++++++ VdW C ARG 74 - H GLU 76 2.45 17 0.28 0.35 +++++ +++* +++++ +++ VdW HA PRO 75 - CE MET 83 2.60 8 0.19 0.37 + + + ++ +* + VdW CG1 VAL 77 - C VAL 77 2.90 6 0.07 0.25 ++ *+ + + VdW O LYS 80 - HB2 LEU 84 2.30 9 0.22 0.41 +++ + ++ * ++ VdW O LEU 84 - CG1 VAL 88 2.90 8 0.15 0.38 +++ + * ++ + VdW N VAL 88 - CG1 VAL 88 2.85 7 0.14 0.21 +++ + ++ * VdW H VAL 88 - CG1 VAL 88 2.55 14 0.23 0.36 +*+++++ + ++++++ VdW CG2 VAL 88 - C VAL 88 2.90 15 0.21 0.30 ++++++++ + +++++* VdW HB2 LEU 89 - C SER 111 2.50 11 0.21 0.44 ++ ++ + * + ++ ++ VdW HG LEU 89 - N GLU 90 2.45 9 0.14 0.41 + +++ + + + +* VdW HG LEU 89 - N SER 111 2.45 11 0.22 0.50 + ++ + ++ + ++*+ VdW CD1 LEU 89 - N GLU 90 3.05 11 0.19 0.41 + ++ + ++ + +++* VdW CD2 LEU 89 - C LEU 89 3.10 11 0.19 0.45 + ++ + ++ + ++*+ VdW CD2 LEU 89 - O LEU 89 2.90 8 0.12 0.27 ++ + + +++* VdW CD1 PHE 92 - C PHE 92 3.10 9 0.17 0.37 + ++ +++ +* + VdW HD1 PHE 92 - C PHE 92 2.50 8 0.14 0.40 + ++ ++ +* + VdW CZ PHE 92 - CB ALA 116 3.20 9 0.20 0.28 +++ + + *+ + + VdW CZ PHE 92 - HA GLU 360 2.60 17 0.33 0.47 ++++++ ++*++++ ++++ VdW HZ PHE 92 - CA GLU 360 2.60 11 0.22 0.37 ++ + ++++++* + VdW HZ PHE 92 - HA GLU 360 2.00 20 0.48 0.68 +++++++++++++*++++++ VdW C LEU 93 - H ALA 95 2.45 8 0.19 0.28 ++ + + + *+ + VdW C GLY 94 - H LEU 96 2.45 8 0.17 0.53 * + ++ + +++ VdW O GLY 94 - C ALA 95 2.80 11 0.13 0.26 +++++++ * + + + VdW O GLY 94 - N LEU 96 2.75 8 0.10 0.28 + + ++ + ++* VdW C ALA 95 - CG LEU 96 3.10 7 0.13 0.42 * ++ + +++ VdW C ALA 95 - HG LEU 96 2.50 7 0.22 0.68 + +* + +++ VdW O ALA 95 - CG LEU 96 2.90 6 0.10 0.38 + +* + + + VdW N LEU 96 - HG LEU 96 2.45 7 0.12 0.36 * ++ + +++ VdW N LEU 96 - CD1 LEU 96 3.05 12 0.16 0.29 *++++++ + + ++ + VdW N LEU 96 - CD2 LEU 96 3.05 13 0.21 0.54 +++++++*+ + ++ + VdW H LEU 96 - CG LEU 96 2.55 12 0.19 0.35 +++++++ + + +* + VdW H LEU 96 - CD1 LEU 96 2.55 8 0.14 0.35 ++ +++ + + * VdW H LEU 96 - CD2 LEU 96 2.55 12 0.35 0.61 +++++++ + + *+ + VdW CB LEU 96 - CD PRO 97 3.20 9 0.19 0.32 ++ +++* + + + VdW CB LEU 96 - HD2 PRO 97 2.60 15 0.27 0.41 ++++++*++ + + ++ ++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 8 0.20 0.33 + ++* ++ + + VdW HG2 PRO 97 - HG3 GLU 99 2.00 7 0.13 0.43 + * ++++ + VdW H GLU 99 - CG GLU 99 2.55 6 0.11 0.37 + * + ++ + VdW N ILE 100 - CG1 ILE 100 2.85 16 0.21 0.24 +++++* +++++++ ++ + VdW H ILE 100 - CG1 ILE 100 2.55 20 0.31 0.34 ++++++++++++*+++++++ VdW CB SER 111 - HD2 PRO 112 2.60 6 0.15 0.26 + *+ ++ + VdW HB2 PRO 112 - CB ALA 363 2.60 13 0.21 0.43 +++ +* +++++++ + VdW C PRO 112 - CB ALA 363 3.10 11 0.25 0.43 ++ +*+++ +++ + VdW O PRO 112 - CB ALA 363 2.90 7 0.15 0.44 + *+ ++ ++ VdW CB ALA 116 - CG GLU 360 3.20 9 0.16 0.30 +* ++++++ + VdW CB ALA 116 - HG3 GLU 360 2.60 11 0.23 0.46 *++ + ++++ + ++ VdW HB3 ALA 116 - HG3 GLU 360 2.00 6 0.11 0.38 ++ + + * + VdW O ALA 116 - HG22 VAL 119 2.30 6 0.10 0.33 + ++ + * + VdW O LEU 345 - HB2 CYS 349 2.30 10 0.17 0.32 + + + +++ *+ ++ VdW CG PHE 347 - C PHE 347 2.90 14 0.17 0.23 ++ *+ + ++++++ ++ + VdW CD1 PHE 350 - O PRO 358 2.90 6 0.08 0.34 + + + ++* VdW HD1 PHE 350 - O PRO 358 2.30 6 0.08 0.32 + + + ++* VdW CE1 PHE 350 - O GLY 357 2.90 6 0.12 0.46 + + * +++ VdW CZ PHE 350 - O GLY 357 2.90 12 0.17 0.36 +++ ++ +++++* + VdW CZ PHE 350 - CG GLU 360 3.20 13 0.17 0.32 +++ ++ +*++++ ++ VdW CZ PHE 350 - HG2 GLU 360 2.60 10 0.19 0.42 + + + ++*+ + ++ VdW HZ PHE 350 - O THR 356 2.30 8 0.17 0.49 + + * ++++ + VdW HZ PHE 350 - CG GLU 360 2.60 7 0.12 0.25 +++ +* + + VdW CE2 PHE 350 - O GLY 357 2.90 8 0.15 0.46 + * + + + ++ + VdW HE2 PHE 350 - O GLY 357 2.30 7 0.15 0.47 +* + + + ++ VdW CB TYR 352 - CA PRO 358 3.20 8 0.15 0.31 + ++ +++ *+ VdW CB TYR 352 - HA PRO 358 2.60 20 0.36 0.51 +++++++++++++*++++++ VdW HB2 TYR 352 - C GLY 357 2.50 14 0.27 0.57 +++++ ++++*++ + + VdW HB2 TYR 352 - O GLY 357 2.30 12 0.27 0.48 ++++ + ++ *+ + + + VdW HB3 TYR 352 - HA PRO 358 2.00 10 0.21 0.44 + ++ + ++++ +* VdW CG TYR 352 - C TYR 352 2.90 15 0.20 0.24 +++ ++ + ++++++ +* + VdW CE2 TYR 352 - HD3 PRO 358 2.60 9 0.19 0.54 + ++++ + +* + VdW CD2 TYR 352 - HD3 PRO 358 2.60 9 0.17 0.51 + + + * +++ ++ VdW HD2 TYR 352 - N GLY 357 2.45 7 0.20 0.61 *++ ++++ VdW H GLU 353 - HB THR 356 1.95 12 0.22 0.37 + + *+ + +++++ ++ VdW CB GLU 353 - H GLU 354 2.55 18 0.26 0.32 +++ +*+++++++++++ ++ VdW C ALA 355 - H GLY 357 2.45 9 0.18 0.38 ++ ++ + ++ *+ VdW CG2 THR 356 - O THR 356 2.90 9 0.18 0.34 ++ +* + ++ ++ VdW O THR 356 - C GLY 357 2.80 6 0.14 0.48 ++ + + * + VdW O THR 356 - O GLY 357 2.60 10 0.35 0.91 +* + + + + ++ ++ VdW HA2 GLY 357 - CD PRO 358 2.60 19 0.26 0.31 ++++++*++++++++++++ VdW O GLY 357 - HB3 GLU 360 2.30 6 0.16 0.39 ++ ++ * + VdW CB PRO 358 - CA ALA 395 3.20 13 0.29 0.62 +++ ++ +++++* + + VdW CB PRO 358 - CB ALA 395 3.20 15 0.40 0.64 ++++++ +++*++ ++ + VdW CB PRO 358 - HB3 ALA 395 2.60 8 0.17 0.52 + * ++ + +++ VdW CB PRO 358 - C ALA 395 3.10 20 0.47 0.68 ++++++++++*+++++++++ VdW CB PRO 358 - O ALA 395 2.90 6 0.22 0.81 ++ * + ++ VdW HB2 PRO 358 - CA ALA 395 2.60 16 0.49 1.00 ++++++ ++*++++ ++ + VdW HB2 PRO 358 - CB ALA 395 2.60 20 0.84 1.11 ++++++++++++*+++++++ VdW HB2 PRO 358 - HB1 ALA 395 2.00 10 0.25 0.73 +++ *+++ ++ + VdW HB2 PRO 358 - HB2 ALA 395 2.00 9 0.23 0.81 + ++ ++++ *+ VdW HB2 PRO 358 - HB3 ALA 395 2.00 11 0.37 0.87 ++ + *+ + + +++ + VdW HB2 PRO 358 - C ALA 395 2.50 16 0.33 0.74 +++++++++ *+ +++ ++ VdW HB3 PRO 358 - C ALA 395 2.50 7 0.16 0.33 ++ *+ + + + VdW C PRO 358 - CB ALA 395 3.10 6 0.13 0.46 + +++ + * VdW N GLN 359 - HG2 GLN 359 2.45 6 0.10 0.29 + + + * + + VdW H GLN 359 - CG GLN 359 2.55 8 0.12 0.32 + + + *+++ + VdW H GLN 359 - HG2 GLN 359 1.95 8 0.19 0.52 + + + *+++ + VdW CG GLN 359 - CZ PHE 392 3.20 6 0.08 0.29 * + + ++ + VdW CD GLN 359 - CB ALA 395 3.10 19 0.42 0.60 ++++++++++ +++*+++++ VdW OE1 GLN 359 - CE1 PHE 392 2.90 8 0.18 0.47 ++ + + *++ + VdW OE1 GLN 359 - CB ALA 395 2.90 19 0.39 0.53 ++++++++++ ++*++++++ VdW OE1 GLN 359 - HB2 ALA 395 2.30 6 0.13 0.35 + * ++ ++ VdW OE1 GLN 359 - HB3 ALA 395 2.30 7 0.12 0.34 * + + ++++ VdW NE2 GLN 359 - CB ALA 395 3.05 18 0.39 0.54 +++ +++++++ +*++++++ VdW HE22 GLN 359 - CB ALA 395 2.55 9 0.14 0.46 ++ ++ + + +* + VdW CG GLU 360 - C GLU 360 2.90 12 0.16 0.23 +++ ++ +++++* + VdW C ALA 361 - HG LEU 365 2.50 14 0.26 0.50 ++++++ + +++ ++*+ VdW O ALA 361 - C LEU 362 2.80 20 0.31 0.40 *+++++++++++++++++++ VdW O ALA 361 - N ALA 363 2.75 16 0.25 0.37 ++++++ ++ *++ +++++ VdW O ALA 361 - N GLN 364 2.75 16 0.27 0.38 +++ *+ ++++++++++ + VdW O ALA 361 - N LEU 365 2.75 12 0.21 0.31 +++ + ++++*+ + + VdW O ALA 361 - H LEU 365 1.80 11 0.20 0.30 +++ + ++*+++ + VdW HA LEU 362 - CD1 LEU 365 2.60 9 0.18 0.41 +*+++ +++ + VdW CD1 LEU 362 - HD2 PHE 392 2.60 9 0.17 0.54 +* ++ + + ++ + VdW CD2 LEU 362 - C LEU 362 3.10 11 0.29 0.58 ++ +++ + *+++ + VdW CD2 LEU 362 - O LEU 362 2.90 7 0.12 0.41 + * ++++ + VdW HD23 LEU 362 - O LEU 362 2.30 6 0.12 0.45 ++ + *+ + VdW H GLN 364 - CG GLN 364 2.55 14 0.23 0.32 ++ +* +++ +++++++ VdW CD1 LEU 365 - HA VAL 388 2.60 6 0.11 0.34 + + *++ + VdW CD1 LEU 365 - HB3 GLN 391 2.60 10 0.17 0.45 + + * +++ ++++ VdW O LEU 365 - SG CYS 369 3.10 8 0.17 0.31 + ++ ++ + + * VdW CG GLU 367 - C GLU 367 2.90 12 0.19 0.24 ++*+ +++ ++ +++ VdW HA LEU 368 - CD1 LEU 368 2.60 8 0.12 0.39 * + ++ + + ++ VdW O ARG 370 - HA ARG 374 2.30 6 0.17 0.25 * + ++ ++ VdW CG TRP 372 - N LEU 373 3.05 6 0.18 0.26 * + + + + + VdW HG LEU 373 - C LEU 373 2.50 20 0.27 0.36 +++++++++++++++*++++ VdW HA ARG 374 - CD PRO 375 2.60 18 0.25 0.29 ++++ *++++++++++ +++ VdW C ARG 374 - H GLU 376 2.45 19 0.31 0.38 +++++*+++++ ++++++++ VdW HA PRO 375 - CE MET 383 2.60 11 0.19 0.25 *+ ++ +++ ++ + + VdW O LYS 380 - HB2 LEU 384 2.30 6 0.19 0.41 * + + + ++ VdW H VAL 388 - CG1 VAL 388 2.55 12 0.19 0.37 ++ +++++*+ ++ + VdW CG2 VAL 388 - C VAL 388 2.90 12 0.16 0.30 ++ +++++*+ ++ + VdW HG LEU 389 - N GLU 390 2.45 7 0.10 0.37 + + *+ + ++ VdW HG LEU 389 - N SER 411 2.45 12 0.25 0.57 + + ++ ++++*+++ VdW CD1 LEU 389 - C LEU 389 3.10 8 0.17 0.45 ++ + * ++ + + VdW CD1 LEU 389 - N GLU 390 3.05 13 0.22 0.43 + + ++ ++++++++ * VdW CD2 LEU 389 - C LEU 389 3.10 13 0.23 0.52 + + ++ ++++++++ * VdW CD2 LEU 389 - O LEU 389 2.90 7 0.13 0.38 + +++++ * VdW CD1 PHE 392 - C PHE 392 3.10 14 0.23 0.39 ++ +++ *+ +++ ++ ++ VdW HD1 PHE 392 - C PHE 392 2.50 14 0.22 0.48 ++ +++ ++ *++ ++ ++ VdW CZ PHE 392 - CB ALA 416 3.20 12 0.21 0.28 +*+ +++++ + + + + VdW C LEU 393 - H ALA 395 2.45 12 0.21 0.28 ++++ +++ + *+ ++ VdW C GLY 394 - H LEU 396 2.45 6 0.12 0.49 ++ + + *+ VdW O GLY 394 - C ALA 395 2.80 7 0.12 0.24 +* + ++ + + VdW C ALA 395 - CG LEU 396 3.10 6 0.12 0.43 ++ * + ++ VdW C ALA 395 - HG LEU 396 2.50 6 0.19 0.68 ++ + * ++ VdW N LEU 396 - HG LEU 396 2.45 6 0.11 0.36 +* + + ++ VdW N LEU 396 - CD1 LEU 396 3.05 14 0.19 0.31 ++*+ ++ + ++ +++++ VdW N LEU 396 - CD2 LEU 396 3.05 14 0.22 0.34 +*++ ++ + ++ +++++ VdW H LEU 396 - CG LEU 396 2.55 14 0.22 0.35 ++++ ++ + ++ +*+++ VdW H LEU 396 - CD1 LEU 396 2.55 10 0.18 0.37 ++++ + ++ *+ + VdW H LEU 396 - CD2 LEU 396 2.55 14 0.40 0.62 ++++ +* + ++ +++++ VdW CB LEU 396 - CD PRO 397 3.20 6 0.16 0.26 + * ++ + + VdW CB LEU 396 - HD2 PRO 397 2.60 15 0.23 0.35 ++++ ++ * +++ +++++ VdW CB PRO 397 - HD2 PRO 398 2.60 9 0.19 0.24 + + ++ + +* ++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 13 0.22 0.30 + ++ +++++ + +* ++ VdW N ILE 400 - CG1 ILE 400 2.85 14 0.21 0.24 +++++ * ++++ ++++ VdW H ILE 400 - CG1 ILE 400 2.55 20 0.32 0.34 +++*++++++++++++++++ VdW O VAL 404 - N GLN 407 2.75 6 0.16 0.25 ++*+ + + VdW HG2 PRO 409 - H GLY 410 1.95 7 0.15 0.24 ++ +* +++ VdW N GLU 413 - HG3 GLU 413 2.45 6 0.17 0.29 * + ++ ++ Angle PSI ARG 44 -54.00 -34.00 7 3.88 7.75 + + ++++ * Angle PSI LEU 45 -52.00 -32.00 12 6.42 13.74 + ++++ ++++ *++ Angle PSI ARG 46 -48.00 -28.00 12 5.29 8.21 *++ ++ + + + ++ + + Angle PHI ARG 48 -91.00 -61.00 20 11.32 16.04 +++++++++++++++++++* Angle PSI ARG 48 -34.00 -4.00 20 16.05 20.48 +++++++++++++++*++*+ Angle PSI CYS 49 -51.00 -5.00 19 14.60 22.71 +++++++++++++ *+++++ Angle PHI PHE 50 -112.00 -54.00 13 5.39 7.70 +*++ + +++ +++ + + Angle PHI GLU 54 -70.00 -50.00 20 34.51 42.67 +++++++++++++*++++++ Angle PSI GLU 54 -38.00 -16.00 20 18.81 22.79 +++++++*++++++++++++ Angle PHI ALA 55 -80.00 -58.00 20 27.09 34.57 +++++++++++++*++++++ Angle PSI ALA 55 -50.00 -30.00 20 12.21 23.48 +++++++++++++*++++++ Angle PHI THR 56 -112.00 -82.00 19 22.23 33.80 ++++++*++++++++++ ++ Angle PSI THR 56 -15.00 15.00 12 9.32 28.22 ++ ++++++* + ++ Angle PSI PRO 58 -41.00 -31.00 20 11.79 17.34 +++++*++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 12 4.85 10.91 ++ *+++ + + ++ ++ Angle PSI GLN 59 -46.00 -26.00 20 21.39 27.35 ++++++++++*+++++++++ Angle PHI GLU 60 -75.00 -55.00 20 12.54 16.56 ++++*+++++++++++++++ Angle PHI LEU 62 -71.00 -51.00 20 19.82 28.64 +++++++++++++++++*++ Angle PHI GLN 64 -78.00 -58.00 9 4.21 13.38 + ++*+ + ++ + Angle PSI GLN 64 -51.00 -31.00 19 8.78 13.67 +++++++++++++ +++++* Angle PHI LEU 65 -71.00 -51.00 7 4.52 8.80 + ++ * + + + Angle PHI ARG 66 -76.00 -56.00 14 5.83 8.97 +++ ++++ ++ +*++ + Angle PHI GLU 67 -79.00 -59.00 19 7.59 12.10 +++++++++ +++++*++++ Angle PSI GLN 71 -47.00 -17.00 6 4.64 11.67 + ++ + * + Angle PHI GLU 76 -78.00 -58.00 12 5.45 7.74 + ++++ +* +++++ Angle PSI SER 79 155.00 175.00 12 4.98 7.13 ++ + + ++*+ +++ + Angle PHI LYS 80 -69.00 -49.00 11 4.64 7.23 +* + ++++ +++ + Angle PSI LYS 80 -48.00 -28.00 20 13.50 17.01 ++++++++++++++*+++++ Angle PSI GLU 81 -50.00 -30.00 20 9.19 13.41 +++++++++++++++++++* Angle PHI GLN 82 -76.00 -56.00 7 5.00 14.86 + +*+ + + + Angle PSI GLN 82 -48.00 -28.00 15 6.60 12.38 +++ ++ ++*++ +++++ Angle PHI MET 83 -75.00 -55.00 12 5.45 10.15 +++ + + +++ +++* Angle PHI LEU 84 -73.00 -53.00 19 6.82 9.30 ++++++++ ++++++++*++ Angle PHI GLU 85 -75.00 -55.00 8 3.72 9.72 +++ * +++ + Angle PSI LEU 87 -51.00 -31.00 11 4.58 9.27 ++ ++ + + ++++* Angle PHI VAL 88 -78.00 -58.00 17 7.59 11.31 +++++++++ ++ ++*+++ Angle PHI GLN 91 -74.00 -54.00 17 7.18 12.80 +++ ++++++ ++++*+++ Angle PHI PHE 92 -74.00 -54.00 20 10.60 14.23 ++*+++++++++++++++++ Angle PSI GLY 94 -46.00 -8.00 13 8.89 20.75 + ++ * ++++ ++ +++ Angle PSI PRO 97 132.20 154.90 20 20.52 24.31 +++++++*++++++++++++ Angle PSI PRO 98 -46.00 -28.00 20 18.18 22.78 +++++++*++++++++++++ Angle PSI GLU 99 -47.00 -27.00 11 5.31 9.17 + ++ + + +++++* Angle PHI ILE 100 -73.00 -53.00 20 18.64 20.74 ++++++++++*+++++++++ Angle PSI VAL 104 -54.00 -34.00 17 7.31 11.81 +++++++++++++ *+++ Angle PSI GLY 106 -40.00 -6.00 7 4.22 7.50 + + * +++ + Angle PHI ALA 115 -76.00 -56.00 12 5.63 10.84 ++++ + + ++ *+++ Angle PHI ALA 117 -74.00 -54.00 8 4.94 9.72 + + +++*+ + Angle PHI ASP 120 -69.00 -49.00 17 8.45 17.04 ++ +++++* + ++++++++ Angle PSI ARG 344 -54.00 -34.00 7 3.65 9.63 + +* + + + + Angle PSI LEU 345 -52.00 -32.00 10 5.49 11.59 ++ + + *+ + + + + Angle PSI ARG 346 -48.00 -28.00 10 4.62 8.59 + *+ + + + + + ++ Angle PHI ARG 348 -91.00 -61.00 18 10.29 17.56 ++++++++ *+++++ ++++ Angle PSI ARG 348 -34.00 -4.00 20 15.46 22.46 ++++++*+++++++++++++ Angle PHI CYS 349 -106.00 -66.00 7 4.34 13.09 ++ +* + ++ Angle PSI CYS 349 -51.00 -5.00 15 12.43 24.84 +++ ++ * ++++++ ++ + Angle PHI PHE 350 -112.00 -54.00 15 6.04 11.36 +++++++* +++ ++ + + Angle PHI GLU 354 -70.00 -50.00 20 35.36 47.64 ++++++++++++++++*+++ Angle PSI GLU 354 -38.00 -16.00 18 15.28 24.02 +++++++ ++++++*+ +++ Angle PHI ALA 355 -80.00 -58.00 20 29.18 39.35 ++++++++++++++++++*+ Angle PSI ALA 355 -50.00 -30.00 19 13.34 27.57 ++++++*+++++++++ +++ Angle PHI THR 356 -112.00 -82.00 19 19.35 31.64 ++++++++++++*+++ +++ Angle PSI THR 356 -15.00 15.00 11 8.66 27.59 ++ ++ + +++ *+ + Angle PSI PRO 358 -41.00 -31.00 20 12.85 19.28 +++++++++++*++++++++ Angle PHI GLN 359 -77.00 -57.00 7 2.74 8.07 + + +++* + Angle PSI GLN 359 -46.00 -26.00 20 19.32 28.06 +++++++++*++++++++++ Angle PHI GLU 360 -75.00 -55.00 20 12.04 17.43 ++++*+++++++++++++++ Angle PSI GLU 360 -54.00 -34.00 9 4.61 10.11 + ++ ++ + ++* Angle PHI LEU 362 -71.00 -51.00 20 22.12 31.25 *+++++++++++++++++++ Angle PSI ALA 363 -48.00 -28.00 11 6.54 14.13 ++ + ++++ + *+ + Angle PSI GLN 364 -51.00 -31.00 12 6.03 12.53 ++ +* ++++++ + + Angle PHI ARG 366 -76.00 -56.00 11 4.78 11.27 ++++ +++*++ + Angle PHI GLU 367 -79.00 -59.00 19 9.01 13.39 +++*++++++++++++ +++ Angle PSI GLN 371 -47.00 -17.00 13 4.90 7.31 + ++ +++++ + + *+ + Angle PHI GLU 376 -78.00 -58.00 7 4.89 8.02 + ++ +* + + Angle PSI SER 379 155.00 175.00 9 4.45 7.29 ++ + *+ ++++ Angle PHI LYS 380 -69.00 -49.00 11 4.96 8.25 ++ ++++ ++++ * Angle PSI LYS 380 -48.00 -28.00 20 13.99 17.86 +*++++++++++++++++++ Angle PSI GLU 381 -50.00 -30.00 20 9.45 12.97 +*++++++++++++++++++ Angle PSI GLN 382 -48.00 -28.00 17 6.19 9.51 +++++*+++ +++++++ + Angle PHI MET 383 -75.00 -55.00 16 6.53 10.87 ++++++ + +*+++++++ Angle PHI LEU 384 -73.00 -53.00 18 6.43 7.96 +++++++++++++ ++++* Angle PHI GLU 385 -75.00 -55.00 6 3.01 6.57 + + * + + + Angle PSI LEU 387 -51.00 -31.00 8 3.71 8.70 + +++ *+ + + Angle PHI VAL 388 -78.00 -58.00 10 5.04 8.61 ++ ++ + +*++ + Angle PHI GLN 391 -74.00 -54.00 18 8.45 13.67 +++++++ +++++ +*++++ Angle PHI PHE 392 -74.00 -54.00 18 10.10 12.32 ++*+++ +++++++++++ + Angle PSI GLY 394 -46.00 -8.00 7 6.20 16.70 +*+ ++ ++ Angle PSI PRO 397 132.20 154.90 20 21.22 23.42 ++++++++++++++++*+++ Angle PSI PRO 398 -46.00 -28.00 20 19.27 23.76 +++++++*++++++++++++ Angle PSI GLU 399 -47.00 -27.00 12 6.09 8.92 ++ + + ** + + ++ ++ Angle PHI ILE 400 -73.00 -53.00 20 18.11 20.44 ++++++++++++++*+++++ Angle PSI VAL 404 -54.00 -34.00 18 7.52 11.53 ++*++++++++ +++++++ Angle PSI GLY 406 -40.00 -6.00 8 4.35 8.94 * +++ + + + + Angle PHI GLY 410 58.00 92.00 7 4.21 7.15 *+ +++ + + Angle PHI GLU 413 -75.00 -55.00 7 3.43 8.20 ++ * +++ + Angle PHI ALA 415 -76.00 -56.00 15 6.47 11.36 ++ + +++++ ++*++ ++ Angle PSI ALA 415 -49.00 -29.00 6 3.29 14.32 ++ + ++* Angle PHI ALA 417 -74.00 -54.00 12 4.79 10.47 ++ +++ *+ +++ ++ Angle PHI ASP 420 -69.00 -49.00 11 6.80 20.58 +++ + ++* ++ ++ 433 violated distance constraints. 99 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.40 +/- 0.17 A (0.23..1.06 A; 20 structures) Average heavy atom RMSD to mean : 0.80 +/- 0.15 A (0.62..1.38 A; 20 structures)