Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 233.17 143 0.1096 1.73 146 108.1 0.59 42 4.8866 23.58 2 235.90 142 0.1101 1.66 149 110.8 0.66 48 4.8638 24.14 3 237.28 150 0.1106 1.82 161 111.3 0.68 44 4.8202 23.43 4 237.50 144 0.1105 1.63 153 109.6 0.68 50 4.8290 23.04 5 237.54 146 0.1094 1.36 167 117.7 0.65 48 5.1000 24.09 6 239.47 150 0.1128 1.96 145 104.3 0.60 44 4.6343 23.65 7 240.23 152 0.1120 1.58 145 110.5 0.64 44 4.9446 23.74 8 240.60 153 0.1124 2.02 146 107.7 0.70 43 4.7046 23.81 9 241.20 144 0.1105 1.66 160 119.0 0.68 55 4.8843 23.66 10 242.01 153 0.1133 1.84 138 106.1 0.55 46 4.7055 23.63 11 243.07 139 0.1118 1.80 155 109.5 0.64 48 5.1127 23.61 12 246.03 149 0.1125 1.66 153 112.5 0.69 44 4.7266 23.33 13 247.28 147 0.1128 1.71 156 112.5 0.77 47 5.0197 23.95 14 247.37 156 0.1130 1.60 158 115.7 0.60 46 5.0176 24.10 15 247.55 155 0.1128 2.00 150 110.3 0.69 47 5.0689 23.48 16 249.11 152 0.1135 1.69 154 113.2 0.66 36 5.1690 24.45 17 249.89 147 0.1133 1.83 144 110.3 0.71 50 5.2029 32.04 18 250.55 162 0.1148 1.89 140 111.2 0.67 41 4.7574 23.46 19 251.17 158 0.1139 1.63 158 114.0 0.69 41 4.8438 24.23 20 251.97 155 0.1138 1.63 159 117.8 0.62 52 5.1969 25.87 Ave 243.44 150 0.1122 1.74 152 111.6 0.66 46 4.9244 24.27 +/- 5.58 6 0.0015 0.16 7 3.8 0.05 4 0.1729 1.87 Min 233.17 139 0.1094 1.36 138 104.3 0.55 36 4.6343 23.04 Max 251.97 162 0.1148 2.02 167 119.0 0.77 55 5.2029 32.04 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - QD2 LEU 68 3.39 15 0.72 0.95 +*++++++++ + +++ + peak 2504 Upper QB ALA 43 - HD1 TRP 72 3.17 20 1.17 1.25 +++++++++++++++++++* peak 223 Upper QB ALA 43 - HE1 TRP 72 5.13 20 0.86 0.90 *+++++++++++++++++++ peak 258 Upper QD PHE 47 - QD1 LEU 65 4.18 17 0.72 0.97 + +++++ +++*+++++++ peak 2398 Upper QD PHE 47 - QG1 VAL 88 4.75 19 0.68 0.77 ++*++++++++++++++++ peak 2761 Upper HZ PHE 47 - HA CYS 69 4.80 20 0.76 0.93 ++++++++++++*+++++++ peak 285 Upper HA PHE 50 - HB2 HIS 51 4.62 19 0.66 0.73 +++++++++++ +++++++* peak 2041 Upper HA PHE 50 - HB3 HIS 51 4.65 18 0.66 0.95 ++++ ++++++*+++++++ peak 2038 Upper QE PHE 50 - HG LEU 65 4.06 6 0.31 0.79 + ++ *+ + peak 270 QE PHE 50 - QD2 LEU 68 Upper H TYR 52 - HG LEU 96 5.22 7 0.66 1.36 * + + ++ ++ peak 793 Upper QD TYR 52 - H THR 56 4.34 20 1.31 1.43 +++++++++++++++++++* peak 63 Upper HA ALA 55 - QG2 THR 56 4.28 20 1.04 1.10 +++++++++*++++++++++ peak 2114 Upper HB THR 56 - HG2 GLU 60 4.22 20 0.79 0.85 +++++++++*++++++++++ peak 2104 Upper QB GLN 59 - H ALA 63 4.06 20 0.86 1.00 ++++*+++++++++++++++ peak 897 Upper HG3 GLN 59 - H GLU 60 4.14 8 0.31 0.81 + +++ + + *+ peak 2220 Upper HG3 GLN 59 - QD1 LEU 62 4.65 6 0.30 0.75 + * ++ + + peak 2207 Upper H GLU 60 - HA ALA 61 4.54 20 0.78 0.84 +*++++++++++++++++++ peak 2256 Upper H ALA 61 - H ALA 63 3.31 20 0.85 0.90 ++*+++++++++++++++++ peak 178 Upper H LEU 62 - HG LEU 62 3.15 11 0.51 0.95 +++++ + ++++ * peak 884 Upper H LEU 62 - HA ALA 63 4.23 20 0.91 1.04 ++++*+++++++++++++++ peak 876 Upper HG LEU 62 - HG3 PRO 112 4.13 9 0.77 1.84 +++ +*+ + ++ peak 3779 Upper HA GLN 64 - HG3 GLN 64 3.35 19 0.61 0.68 ++*++ ++++++++++++++ peak 1339 Upper H LEU 65 - HG LEU 65 3.51 7 0.33 0.82 + ++* ++ + peak 935 Upper QG ARG 66 - QG2 VAL 88 3.52 10 0.63 0.91 + + +++ ++ ++* peak 3144 Upper H GLU 67 - QD2 LEU 68 4.46 20 0.88 1.11 +++++++++++++++*++++ peak 2531 Upper QD2 LEU 68 - H CYS 69 3.83 8 0.56 0.72 + + ++ + ++ * peak 2535 Upper HA CYS 69 - HB3 LEU 73 4.04 20 0.99 1.51 ++++++++++++*+++++++ peak 2555 Upper HB3 CYS 69 - HB3 LEU 73 4.33 19 1.17 1.58 ++++++++++++*+ +++++ peak 2562 Upper H ARG 70 - HE3 TRP 72 4.59 20 0.84 1.07 +++++++++++++++++++* peak 136 Upper HD2 ARG 70 - QD1 LEU 84 4.45 8 0.52 0.80 +++ + + * + + peak 2570 Upper H TRP 72 - QD2 LEU 73 4.94 19 0.90 1.02 +++++*++++++ +++++++ peak 1341 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 20 0.85 0.87 ++*+++++++++++++++++ peak 212 Upper HD1 TRP 72 - HB3 LEU 73 4.09 19 1.17 1.30 ++++++++++++ *++++++ peak 224 Upper HD1 TRP 72 - QD2 LEU 73 4.25 11 0.61 0.83 ++ ++* ++ ++ ++ peak 227 Upper HE3 TRP 72 - QD2 LEU 73 4.26 19 0.84 1.00 +++++++*++++ +++++++ peak 211 Upper HE1 TRP 72 - HB3 LEU 73 4.48 19 0.90 1.08 ++++++*+++++ +++++++ peak 259 Upper HB2 LEU 73 - H MET 83 4.91 13 0.66 1.11 +++++++ +* ++++ peak 1076 Upper QD1 LEU 73 - H MET 83 5.16 6 0.38 0.71 ++* + + + peak 1073 Upper QD2 LEU 73 - QB LEU 84 4.08 18 0.90 1.04 +++++++++*++ ++++++ peak 2938 Upper QD2 LEU 73 - HA LEU 86 5.23 15 0.68 0.95 +++ + + ++*+++++++ peak 1785 Upper HD3 PRO 75 - HG LEU 84 3.73 9 0.57 0.89 +++ *+ + ++ + peak 2677 Upper H GLU 76 - QD1 LEU 84 5.08 16 0.70 0.85 ++++ +*+ ++ +++++ ++ peak 1008 Upper HB VAL 77 - HB3 ARG 78 4.22 20 0.85 2.02 +++++++*++++++++++++ peak 2776 Upper H GLU 81 - QD1 LEU 84 4.55 9 0.53 1.10 ++ + ++ *+ + + peak 1046 Upper HA GLN 82 - H GLU 85 3.73 20 0.98 1.19 +++++++++++++++++++* peak 385 Upper HB2 MET 83 - QB LEU 84 4.10 11 0.59 0.82 ++ +* ++ ++ + ++ peak 3000 Upper QB LEU 84 - H LEU 87 4.34 19 0.69 0.78 +++++*+++++++++++++ peak 3011 Upper QB LEU 84 - HA VAL 88 4.43 20 0.81 0.95 +++++++++++*++++++++ peak 3138 Upper HG LEU 84 - H GLU 85 4.14 9 0.38 0.77 +++ ++ + *+ + peak 3021 Upper H GLU 85 - HB VAL 88 3.16 20 0.93 0.99 ++++++++++*+++++++++ peak 1084 Upper HA LEU 86 - HB3 LEU 89 4.51 18 0.74 0.97 ++*++++ ++++ +++++++ peak 1886 Upper HB2 LEU 86 - QD2 LEU 87 3.08 15 0.63 1.11 +++ + + +++++++++* peak 3114 Upper QD2 LEU 86 - QD1 LEU 87 2.40 20 1.05 1.37 +++++++++++++++++++* peak 3049 Upper H LEU 87 - HA VAL 88 3.93 20 0.83 0.88 +++++++*++++++++++++ peak 376 Upper QD2 LEU 87 - H GLU 90 4.96 20 1.08 1.22 ++++*+++++++++++++++ peak 3092 Upper QG1 VAL 88 - H GLN 91 3.97 16 0.63 0.77 ++++++ *++ ++ +++++ peak 1159 Upper HG LEU 89 - H GLU 90 3.93 11 0.39 0.83 ++ + +++ +++* + peak 1145 Upper QD1 LEU 89 - HD2 PRO 112 4.70 11 0.37 0.71 ++ + ++* ++++ + peak 3775 Upper H GLN 91 - QD PHE 92 4.79 20 1.17 1.26 +++++++++++++++*++++ peak 1149 Upper QE PHE 92 - HA PRO 112 3.44 19 0.74 0.92 +++++++++++ +*++++++ peak 111 Upper H LEU 93 - HG LEU 93 3.72 11 0.43 0.74 +*++ +++ + + + + peak 3285 Upper H LEU 96 - HG LEU 96 3.38 7 0.36 1.04 + * + ++ ++ peak 1185 Upper H LEU 96 - QG2 ILE 100 4.64 20 0.86 0.94 +++++++*++++++++++++ peak 1673 Upper HA LEU 96 - HG2 PRO 97 3.73 20 0.75 0.78 +++*++++++++++++++++ peak 3408 Upper HB3 LEU 96 - HB3 GLN 101 3.58 11 0.43 0.68 +++++ + + + ++* peak 3512 Upper HG LEU 96 - QG1 VAL 119 3.43 6 0.37 1.28 + * ++++ peak 3952 QG1 VAL 119 - HB2 LEU 122 Upper QD2 LEU 96 - H ILE 100 4.86 7 0.31 0.95 + + + ++ *+ peak 284 Upper QD2 LEU 96 - QD1 ILE 100 3.41 7 0.54 1.19 + + + ++ *+ peak 3472 Upper QD2 LEU 96 - HB3 GLN 101 5.44 7 0.47 0.70 + + + ++ *+ peak 4064 Upper QD2 LEU 96 - H VAL 119 5.05 7 0.40 0.90 * + + ++ ++ peak 1315 Upper HB2 PRO 97 - QD1 ILE 100 4.17 20 0.76 0.79 ++++++++++++++++*+++ peak 3396 Upper HB3 PRO 97 - HG12 ILE 100 3.63 7 0.58 0.63 + *++ + + + peak 3476 QB GLU 99 - HG12 ILE 100 Upper HD2 PRO 97 - QD1 ILE 100 3.64 20 1.04 1.11 +++++++++++*++++++++ peak 2731 Upper HA PRO 98 - H GLN 101 3.53 20 0.77 0.81 +++++++++++++*++++++ peak 469 Upper HA GLU 99 - QD1 ILE 100 4.54 20 0.67 0.76 ++++++++++*+++++++++ peak 2034 Upper HA GLU 99 - H GLN 101 4.48 20 0.63 0.66 +++++++++++++++*++++ peak 2032 Upper HA VAL 104 - QD2 LEU 118 3.96 8 0.45 0.70 +++ + +* + + peak 3938 Upper H GLU 113 - HA GLU 114 4.39 20 0.76 0.79 ++*+++++++++++++++++ peak 3875 Upper HA GLU 113 - H ALA 117 4.25 18 0.66 0.77 +++++*++++ + +++++++ peak 575 Upper HG3 GLU 113 - H GLU 114 4.40 15 0.61 0.68 +++ ++++ +*+ +++++ peak 3819 Upper H GLU 114 - QD2 LEU 118 4.61 17 0.68 0.84 +++*+ + +++++++++++ peak 1278 Upper QB GLU 114 - H ALA 117 4.06 20 0.69 0.81 +++*++++++++++++++++ peak 1292 Upper QB ALA 115 - H ALA 117 3.72 20 0.72 0.79 +++*++++++++++++++++ peak 1295 Upper H ALA 117 - HB VAL 119 4.41 6 0.79 1.66 * + ++++ peak 1291 Upper HB2 LEU 118 - H VAL 119 3.39 19 0.68 0.75 ++*+++++++++++++ +++ peak 1310 Upper HG LEU 118 - HA VAL 119 4.42 6 0.51 0.73 * + ++ + + peak 3943 Upper H VAL 119 - HA ASP 120 4.69 20 0.66 0.78 ++++++++++++++++*+++ peak 626 Upper HA LEU 122 - QD1 LEU 122 3.46 11 0.57 0.64 + + + +++++ ++* peak 933 Upper HA LEU 122 - QD2 LEU 122 2.84 16 0.54 0.71 * + ++++++ +++++ +++ peak 565 Upper QB ALA 343 - QD2 LEU 368 3.39 14 0.71 0.96 + + ++++ +++ ++ +*+ peak 2504 Upper QB ALA 343 - HD1 TRP 372 3.17 20 1.19 1.32 ++++++++++++++++*+++ peak 223 Upper QB ALA 343 - HE1 TRP 372 5.13 20 0.86 0.90 *+++++++++++++++++++ peak 258 Upper QD PHE 347 - QD1 LEU 365 4.18 18 0.74 0.98 + ++++++*+ +++++++++ peak 2398 Upper QD PHE 347 - QG1 VAL 388 4.75 19 0.70 0.78 ++*+++++++++++++ +++ peak 2761 Upper HZ PHE 347 - HA CYS 369 4.80 20 0.75 0.81 ++++++*+++++++++++++ peak 285 Upper HA PHE 350 - HB2 HIS 351 4.62 18 0.64 0.75 +++++++++++*++++ ++ peak 2041 Upper HA PHE 350 - HB3 HIS 351 4.65 19 0.68 0.91 +++++++++++ ++++*+++ peak 2038 Upper QE PHE 350 - HG LEU 365 4.06 6 0.29 0.79 + + + * + + peak 270 QE PHE 350 - QD2 LEU 368 Upper H TYR 352 - HG LEU 396 5.22 7 0.67 1.41 + + + ++ *+ peak 793 Upper QD TYR 352 - H THR 356 4.34 20 1.33 1.43 +++++++++++++++++++* peak 63 Upper HA ALA 355 - QG2 THR 356 4.28 20 1.04 1.08 +++++++++++++*++++++ peak 2114 Upper HB THR 356 - HG2 GLU 360 4.22 20 0.78 0.85 ++++++*+++++++++++++ peak 2104 Upper QB GLN 359 - H ALA 363 4.06 20 0.87 1.04 ++++*+++++++++++++++ peak 897 Upper HG3 GLN 359 - H GLU 360 4.14 10 0.39 0.80 ++ + + + ++ ++ * peak 2220 Upper H GLU 360 - HA ALA 361 4.54 20 0.78 0.82 ++++++++++*+++++++++ peak 2256 Upper H ALA 361 - H ALA 363 3.31 20 0.85 0.89 +++*++++++++++++++++ peak 178 Upper H LEU 362 - HG LEU 362 3.15 10 0.46 0.96 + + +*++ + + ++ peak 884 Upper H LEU 362 - HA ALA 363 4.23 20 0.91 1.05 ++++*+++++++++++++++ peak 876 Upper HG LEU 362 - HG3 PRO 412 4.13 10 0.84 1.83 + + + +++ ++* + peak 3779 Upper HA GLN 364 - HG3 GLN 364 3.35 20 0.64 0.66 +++++*++++++++++++++ peak 1339 Upper H LEU 365 - HG LEU 365 3.51 6 0.33 0.82 + + * + + + peak 935 Upper QG ARG 366 - QG2 VAL 388 3.52 11 0.61 0.77 + + + +++++++* peak 3144 Upper H GLU 367 - QD2 LEU 368 4.46 20 0.93 1.18 +++++++++*++++++++++ peak 2531 Upper QD2 LEU 368 - H CYS 369 3.83 10 0.56 0.67 + + ++ ++ + *++ peak 2535 Upper HA CYS 369 - HB3 LEU 373 4.04 20 0.97 1.41 ++++++++*+++++++++++ peak 2555 Upper HB3 CYS 369 - HB3 LEU 373 4.33 20 1.24 1.35 +++++++++++++*++++++ peak 2562 Upper H ARG 370 - HE3 TRP 372 4.59 20 0.83 0.95 +++++*++++++++++++++ peak 136 Upper H TRP 372 - QD2 LEU 373 4.94 18 0.86 1.01 +++*++++ ++++++ ++++ peak 1341 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 20 0.85 0.86 +*++++++++++++++++++ peak 212 Upper HD1 TRP 372 - HB3 LEU 373 4.09 19 1.17 1.31 ++++++++ ++++*++++++ peak 224 Upper HD1 TRP 372 - QD2 LEU 373 4.25 13 0.68 1.66 ++++ ++*+ + ++ ++ peak 227 Upper HE3 TRP 372 - QD2 LEU 373 4.26 19 0.84 1.00 +++++++*+++++++ ++++ peak 211 Upper HE1 TRP 372 - HB3 LEU 373 4.48 19 0.89 1.03 ++++++++ ++++*++++++ peak 259 Upper HB2 LEU 373 - H MET 383 4.91 14 0.64 0.86 +++ ++++++ + +* ++ peak 1076 Upper QD1 LEU 373 - HG LEU 384 3.89 7 0.41 1.01 +++ + +* + peak 2993 Upper QD2 LEU 373 - QB LEU 384 4.08 18 0.84 1.01 +++++++* ++++++ ++++ peak 2938 Upper QD2 LEU 373 - HA LEU 386 5.23 13 0.67 1.00 ++ + +* ++++ ++ ++ peak 1785 Upper QD2 LEU 373 - HG LEU 386 4.41 7 0.28 0.87 ++ ++ + + * peak 3066 Upper HD3 PRO 375 - HG LEU 384 3.73 7 0.54 0.90 +*+ + ++ + peak 2677 Upper H GLU 376 - QD1 LEU 384 5.08 16 0.73 0.93 + ++++*+ ++ ++++++ + peak 1008 Upper HB VAL 377 - HB3 ARG 378 4.22 20 0.75 1.96 +++++*++++++++++++++ peak 2776 Upper H GLU 381 - QD1 LEU 384 4.55 13 0.72 1.17 + +++ ++ +++++* + peak 1046 Upper HA GLN 382 - H GLU 385 3.73 20 0.97 1.15 ++++++++++++*+++++++ peak 385 Upper HB2 MET 383 - QB LEU 384 4.10 13 0.61 0.81 + +++ ++ ++++ *++ peak 3000 Upper QB LEU 384 - H LEU 387 4.34 19 0.69 0.77 ++++++++++++++++ +*+ peak 3011 Upper QB LEU 384 - HA VAL 388 4.43 20 0.83 1.11 ++++++++*+++++++++++ peak 3138 Upper HG LEU 384 - H GLU 385 4.14 7 0.26 0.76 +++ *+ + + peak 3021 Upper H GLU 385 - HB VAL 388 3.16 20 0.94 1.06 ++++++++*+++++++++++ peak 1084 Upper H LEU 386 - HG LEU 386 3.52 7 0.34 0.98 ++ ++ + + * peak 3075 Upper H LEU 386 - HB VAL 388 3.77 6 0.55 0.91 + + + + *+ peak 1092 Upper HA LEU 386 - HB3 LEU 389 4.51 19 0.74 0.88 ++++++++ +++++++*+++ peak 1886 Upper HB2 LEU 386 - QD2 LEU 387 3.08 13 0.60 1.12 ++ + ++ ++++ +* ++ peak 3114 Upper QD2 LEU 386 - QD1 LEU 387 2.40 19 0.96 1.17 ++++++++*+++++++ +++ peak 3049 Upper H LEU 387 - HA VAL 388 3.93 20 0.83 0.88 ++*+++++++++++++++++ peak 376 Upper QD2 LEU 387 - H GLU 390 4.96 20 1.04 1.23 ++++++++++*+++++++++ peak 3092 Upper QG1 VAL 388 - H GLN 391 3.97 16 0.62 0.72 ++++++ +++ + *+++++ peak 1159 Upper HG LEU 389 - H GLU 390 3.93 8 0.28 0.76 + + + ++ + +* peak 1145 Upper QD1 LEU 389 - HD2 PRO 412 4.70 8 0.28 0.73 + + + *+ + ++ peak 3775 Upper H GLN 391 - QD PHE 392 4.79 20 1.16 1.23 +++++++++++++++++*++ peak 1149 Upper QE PHE 392 - HA PRO 412 3.44 20 0.70 0.82 +++++++++++++++++*++ peak 111 Upper H LEU 393 - HG LEU 393 3.72 8 0.27 0.77 *+ +++ + + + peak 3285 Upper H LEU 396 - HG LEU 396 3.38 7 0.35 1.06 + + + ++ *+ peak 1185 Upper H LEU 396 - QG2 ILE 400 4.64 20 0.87 0.96 +++++++++++++++++*++ peak 1673 Upper HA LEU 396 - HG2 PRO 397 3.73 20 0.75 0.78 ++++++++++++++++*+++ peak 3408 Upper HB3 LEU 396 - HB3 GLN 401 3.58 11 0.42 0.67 ++++ + ++ * + + + peak 3512 Upper HG LEU 396 - QG1 VAL 419 3.43 6 0.34 1.26 ++ + * ++ peak 3952 QG1 VAL 419 - HB2 LEU 422 Upper QD2 LEU 396 - H ILE 400 4.86 7 0.32 0.97 + + + ++ +* peak 284 Upper QD2 LEU 396 - QD1 ILE 400 3.41 7 0.55 1.18 + + + ++ +* peak 3472 Upper QD2 LEU 396 - HB3 GLN 401 5.44 7 0.47 0.70 + + + ++ +* peak 4064 Upper QD2 LEU 396 - H VAL 419 5.05 7 0.44 0.94 * + + ++ ++ peak 1315 Upper HB2 PRO 397 - QD1 ILE 400 4.17 20 0.75 0.78 ++++++++++++++++++*+ peak 3396 Upper HB3 PRO 397 - HG12 ILE 400 3.63 7 0.58 0.67 *++ + + + + peak 3476 QB GLU 399 - HG12 ILE 400 Upper HD2 PRO 397 - QD1 ILE 400 3.64 20 1.04 1.11 +++++++++++++++++++* peak 2731 Upper HA PRO 398 - H GLN 401 3.53 20 0.76 0.81 +++++++++*++++++++++ peak 469 Upper HA GLU 399 - QD1 ILE 400 4.54 18 0.67 0.77 + ++++++++++++*++++ peak 2034 Upper HA GLU 399 - H GLN 401 4.48 20 0.63 0.67 ++++++++++++++++++*+ peak 2032 Upper HA VAL 404 - QD2 LEU 418 3.96 11 0.47 0.70 + ++++ + + + ++ * peak 3938 Upper HB3 PRO 409 - HB2 SER 411 5.00 7 0.24 0.71 + *+++++ peak 3740 Upper H GLU 413 - HA GLU 414 4.39 20 0.77 0.83 +++++++++++++++*++++ peak 3875 Upper HA GLU 413 - H ALA 417 4.25 17 0.66 0.75 +++++*+++++ ++ ++++ peak 575 Upper HG3 GLU 413 - H GLU 414 4.40 14 0.58 0.67 ++ + ++ ++ +*+++ ++ peak 3819 Upper H GLU 414 - QD2 LEU 418 4.61 17 0.68 0.83 + ++*+++ ++++++++++ peak 1278 Upper QB GLU 414 - H ALA 417 4.06 20 0.68 0.81 ++++++++++*+++++++++ peak 1292 Upper QB ALA 415 - H ALA 417 3.72 20 0.73 0.79 ++++++++++++*+++++++ peak 1295 Upper H ALA 417 - HB VAL 419 4.41 6 0.78 1.63 +* + + ++ peak 1291 Upper H ALA 417 - HB2 ASP 420 4.69 6 0.54 0.83 + + +++ * peak 1289 Upper HB2 LEU 418 - H VAL 419 3.39 19 0.67 0.74 ++++++ +++++++++*+++ peak 1310 Upper HG LEU 418 - HA VAL 419 4.42 6 0.50 0.74 ++* + + + peak 3943 Upper H VAL 419 - HA ASP 420 4.69 20 0.68 0.77 ++++++*+++++++++++++ peak 626 Upper HA LEU 422 - QD1 LEU 422 3.46 6 0.54 0.65 + + + + +* peak 933 Upper HA LEU 422 - QD2 LEU 422 2.84 12 0.41 0.72 + ++ +++ + +*+++ peak 565 VdW HA2 GLY 39 - CD PRO 40 2.60 20 0.22 0.25 ++++++++++++++*+++++ VdW CB ALA 43 - CB TRP 72 3.20 9 0.20 0.24 ++ ++ + + + * + VdW HB2 PHE 47 - HB3 LEU 68 2.00 19 0.32 0.42 + +++*++++++++++++++ VdW HD1 PHE 47 - HB3 LEU 68 2.00 6 0.10 0.30 + + +* ++ VdW CD2 PHE 47 - HZ3 TRP 72 2.60 9 0.13 0.35 ++ + ++ +++* VdW N HIS 51 - CG HIS 51 2.85 19 0.21 0.22 ++++++*++++ ++++++++ VdW CD1 TYR 52 - CD2 LEU 96 3.20 7 0.09 0.27 ++ + * + + + VdW CD2 TYR 52 - CD2 LEU 96 3.20 6 0.08 0.27 + +* + ++ VdW O GLU 53 - HG21 THR 56 2.30 6 0.09 0.27 + + ++ *+ VdW O GLU 53 - HG22 THR 56 2.30 7 0.08 0.28 + +*+ ++ + VdW H GLU 54 - CG GLU 54 2.55 11 0.20 0.23 +++ + + + + ++ + * VdW CG2 THR 56 - HG2 GLU 60 2.60 19 0.37 0.41 +*++++++++++++++++ + VdW HG3 GLU 60 - C GLU 60 2.50 19 0.27 0.34 ++++*+++++++++++++ + VdW CA LEU 62 - CD1 LEU 62 3.00 9 0.12 0.24 *+++ + +++ + VdW HA LEU 62 - CD1 LEU 62 2.60 6 0.12 0.28 *+ +++ + VdW CD2 LEU 62 - HB2 PRO 112 2.60 9 0.15 0.39 ++* +++ + ++ VdW O LEU 65 - SG CYS 69 3.10 13 0.26 0.64 + ++++ ++ ++ * ++ + VdW HA ARG 66 - SG CYS 69 2.80 9 0.20 0.33 +*+++ + + + + VdW CG GLU 67 - C GLU 67 2.90 20 0.24 0.24 ++++*+++++++++++++++ VdW CA LEU 68 - CD1 LEU 68 3.00 11 0.15 0.27 + +* +++ ++ +++ VdW HA LEU 68 - CD1 LEU 68 2.60 12 0.28 0.50 + + ++ ++* ++ +++ VdW HB2 CYS 69 - CD1 LEU 73 2.60 19 0.39 0.59 ++++++++++++ ++++++* VdW SG CYS 69 - HG LEU 84 2.80 8 0.10 0.33 +*+ ++ + ++ VdW SG CYS 69 - CG2 VAL 88 3.40 9 0.19 0.32 +++ ++ + * + + VdW O ARG 70 - N ARG 74 2.75 8 0.19 0.29 + + + * + +++ VdW CG TRP 72 - C TRP 72 2.90 20 0.25 0.26 +++++++++++++++++++* VdW CG TRP 72 - N LEU 73 3.05 12 0.20 0.23 ++* ++ ++ +++ ++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.48 0.55 +++++++++++++++++++* VdW CE2 TRP 72 - HG LEU 73 2.60 18 0.27 0.39 ++++++ +++++ ++++++* VdW CZ3 TRP 72 - HG LEU 87 2.60 19 0.29 0.40 ++++++++++++*++++++ VdW CH2 TRP 72 - HG LEU 87 2.60 13 0.24 0.41 +* + +++ +++++ + + VdW HB3 LEU 73 - HE1 MET 83 2.00 7 0.09 0.28 + + *+ + ++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.24 0.26 +++++++++++++++++*++ VdW C ARG 74 - H GLU 76 2.45 20 0.34 0.37 +++++++++*++++++++++ VdW C ARG 74 - HE2 MET 83 2.50 8 0.10 0.30 * + + ++ + ++ VdW HA PRO 75 - CE MET 83 2.60 10 0.18 0.33 ++ + +++ + * + + VdW CB ARG 78 - H SER 79 2.55 19 0.34 0.37 +++++*+++++++++++ ++ VdW O LYS 80 - HB2 LEU 84 2.30 11 0.19 0.40 +++* ++ + + ++ + VdW O LYS 80 - HG LEU 84 2.30 9 0.13 0.41 ++ * ++ ++ + + VdW O GLU 81 - CB GLU 85 2.90 13 0.24 0.39 +++++ + ++++ ++* VdW O GLU 81 - HB2 GLU 85 2.30 20 0.44 0.54 ++++++++++++++*+++++ VdW CB MET 83 - CE MET 83 3.00 9 0.21 0.23 + +++ + ++ *+ VdW HB2 MET 83 - CE MET 83 2.60 15 0.22 0.27 +++++ ++ ++ *++++ + VdW O MET 83 - HB3 LEU 86 2.30 6 0.21 0.44 *+ + + + + VdW N LEU 84 - CD1 LEU 84 3.05 7 0.08 0.24 *++ + + ++ VdW O LEU 84 - CD2 LEU 87 2.90 19 0.43 0.54 ++++++++++++++++*++ VdW O LEU 84 - HD21 LEU 87 2.30 7 0.21 0.69 + + +* +++ VdW O LEU 84 - HD22 LEU 87 2.30 8 0.18 0.64 ++ +++* + + VdW O LEU 84 - N VAL 88 2.75 8 0.19 0.22 * + + ++ + ++ VdW O LEU 84 - CG2 VAL 88 2.90 19 0.34 0.43 ++++++++++++*++++++ VdW CG LEU 86 - N LEU 87 3.05 14 0.22 0.32 *++ + + +++++++++ VdW CG LEU 86 - CD1 LEU 87 3.20 14 0.23 0.43 +++ + + ++*++++++ VdW HG LEU 86 - N LEU 87 2.45 14 0.22 0.32 ++* + + +++++++++ VdW HG LEU 86 - H LEU 87 1.95 11 0.16 0.27 *++ + + ++ +++ + VdW HG LEU 86 - CD1 LEU 87 2.60 14 0.44 0.77 +++ + + ++*++++++ VdW HG LEU 86 - HD11 LEU 87 2.00 9 0.18 0.63 +++ + + + * ++ VdW HG LEU 86 - HD12 LEU 87 2.00 9 0.16 0.42 +*+ + +++ ++ VdW HG LEU 86 - HD13 LEU 87 2.00 9 0.16 0.45 + + +++++ +* VdW CD1 LEU 86 - C LEU 86 3.10 15 0.28 0.43 +++ + + ++*+++++++ VdW N LEU 87 - CD2 LEU 87 3.05 18 0.28 0.37 ++++++++*+++++ ++++ VdW N LEU 87 - HD21 LEU 87 2.45 7 0.12 0.36 + * ++ +++ VdW H LEU 87 - CD2 LEU 87 2.55 19 0.41 0.56 +++++*+++++++++++++ VdW H LEU 87 - HD21 LEU 87 1.95 7 0.21 0.71 + + ++ *++ VdW H LEU 87 - HD22 LEU 87 1.95 8 0.24 0.71 ++ ++++ * + VdW CD2 LEU 87 - N VAL 88 3.05 13 0.22 0.40 +++ + + ++ +*++++ VdW CD2 LEU 87 - H VAL 88 2.55 6 0.16 0.23 * +++++ VdW HD21 LEU 87 - N VAL 88 2.45 7 0.16 0.49 ++ *++ + + VdW HD23 LEU 87 - N VAL 88 2.45 7 0.14 0.48 + + ++ +*+ VdW HG12 VAL 88 - C VAL 88 2.50 9 0.14 0.36 + + + ++ +* + + VdW HG13 VAL 88 - C VAL 88 2.50 6 0.09 0.34 + ++ +* + VdW HB2 LEU 89 - HD3 PRO 112 2.00 20 0.38 0.46 +++++++++++++*++++++ VdW O LEU 96 - NE2 GLN 101 2.75 20 0.26 0.29 +++++++*++++++++++++ VdW CB PRO 97 - HD2 PRO 98 2.60 20 0.24 0.26 +++++++++++++++*++++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 20 0.30 0.34 +++++++++++++++*++++ VdW CG PRO 97 - CG1 ILE 100 3.20 20 0.37 0.39 ++++++++++++*+++++++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 20 0.47 0.49 +++++++++++*++++++++ VdW HG2 PRO 97 - HG12 ILE 100 2.00 20 0.40 0.45 +*++++++++++++++++++ VdW HD2 PRO 97 - HB ILE 100 2.00 20 0.36 0.38 ++*+++++++++++++++++ VdW CG2 VAL 104 - CD1 LEU 118 3.20 9 0.21 0.33 + ++++ + +* + VdW H LEU 118 - CG LEU 118 2.55 20 0.32 0.35 +++++++++++*++++++++ VdW H LEU 118 - HG LEU 118 1.95 19 0.23 0.38 +++*++++ +++++++++++ VdW O LEU 118 - N LEU 122 2.75 13 0.20 0.33 + ++ +++ +*+++ ++ VdW HA VAL 119 - HG LEU 122 2.00 6 0.14 0.22 + + * + ++ VdW HA2 GLY 339 - CD PRO 340 2.60 19 0.21 0.25 +++ +++++++++++*++++ VdW CB ALA 343 - CB TRP 372 3.20 9 0.19 0.22 *++ ++ + ++ + VdW HB2 PHE 347 - HB3 LEU 368 2.00 19 0.31 0.39 ++++++*+++ +++++++++ VdW CD1 PHE 347 - HZ3 TRP 372 2.60 8 0.13 0.45 + + ++ + +* + VdW N HIS 351 - CG HIS 351 2.85 18 0.21 0.22 +++++++++*++++++ ++ VdW CD1 TYR 352 - CD2 LEU 396 3.20 7 0.09 0.27 + *+ + ++ + VdW CD2 TYR 352 - CD2 LEU 396 3.20 6 0.08 0.27 + + + ++ * VdW O GLU 353 - HG22 THR 356 2.30 8 0.10 0.26 ++ ++* ++ + VdW H GLU 354 - CG GLU 354 2.55 12 0.20 0.23 ++ + + ++* + ++++ VdW CG2 THR 356 - HG2 GLU 360 2.60 19 0.37 0.42 ++++*++++++++++++++ VdW HG3 GLU 360 - C GLU 360 2.50 19 0.28 0.34 ++++*++++++++++++++ VdW CA LEU 362 - CD1 LEU 362 3.00 9 0.11 0.23 + + *+++ + + + VdW HA LEU 362 - CD1 LEU 362 2.60 9 0.11 0.26 + + *+++ + + + VdW CD2 LEU 362 - HB2 PRO 412 2.60 10 0.17 0.37 * + + +++ +++ + VdW O LEU 365 - SG CYS 369 3.10 14 0.24 0.46 +++++ +++++ *+++ VdW HA ARG 366 - SG CYS 369 2.80 11 0.22 0.34 ++ + ++++++ * + VdW CG GLU 367 - C GLU 367 2.90 20 0.24 0.24 ++++*+++++++++++++++ VdW CA LEU 368 - CD1 LEU 368 3.00 9 0.13 0.27 + +++ + ++ + * VdW HA LEU 368 - CD1 LEU 368 2.60 10 0.24 0.50 + +++ + +++ + * VdW HB2 CYS 369 - CD1 LEU 373 2.60 19 0.42 0.62 ++++++++ +++++++*+++ VdW SG CYS 369 - HB3 LEU 384 2.80 9 0.15 0.33 + * + ++ +++ + VdW SG CYS 369 - CG2 VAL 388 3.40 7 0.19 0.32 + + * + + ++ VdW O ARG 370 - N ARG 374 2.75 9 0.19 0.27 ++ + + ++ + +* VdW CG TRP 372 - C TRP 372 2.90 20 0.25 0.25 ++++++++++++++++++*+ VdW CG TRP 372 - N LEU 373 3.05 15 0.21 0.25 + ++++++*++ ++++ + VdW CD1 TRP 372 - C TRP 372 3.10 20 0.48 0.51 ++++++++++++++++*+++ VdW CE2 TRP 372 - HG LEU 373 2.60 18 0.29 0.41 ++++++++ ++++++ +++* VdW CZ3 TRP 372 - HG LEU 387 2.60 19 0.29 0.46 ++++++++*+++++++ +++ VdW CH2 TRP 372 - HG LEU 387 2.60 15 0.28 0.44 +++++ *++++++ +++ VdW CD2 LEU 373 - HD13 LEU 387 2.60 7 0.08 0.29 + ++*+ + + VdW HA ARG 374 - CD PRO 375 2.60 20 0.24 0.26 ++++++++*+++++++++++ VdW C ARG 374 - H GLU 376 2.45 20 0.35 0.38 ++++++++++++*+++++++ VdW C ARG 374 - HE2 MET 383 2.50 8 0.12 0.32 + * + + + +++ VdW HA PRO 375 - CE MET 383 2.60 8 0.19 0.31 ++ + *+ +++ VdW CB ARG 378 - H SER 379 2.55 19 0.34 0.38 ++++++++*++ ++++++++ VdW CA LYS 380 - HG LEU 384 2.60 6 0.12 0.22 * + + + ++ VdW O LYS 380 - HB2 LEU 384 2.30 7 0.13 0.49 +++ +* + + VdW O LYS 380 - HG LEU 384 2.30 12 0.18 0.39 + ++* ++ +++++ + VdW O GLU 381 - CB GLU 385 2.90 14 0.24 0.34 ++ *+ + +++++ + +++ VdW O GLU 381 - HB2 GLU 385 2.30 20 0.45 0.59 *+++++++++++++++++++ VdW CB MET 383 - CE MET 383 3.00 9 0.20 0.24 + ++ + + +*++ VdW HB2 MET 383 - CE MET 383 2.60 14 0.21 0.27 ++++* ++ +++++ ++ VdW O MET 383 - HB3 LEU 386 2.30 8 0.25 0.45 +* ++ + + ++ VdW O LEU 384 - CD2 LEU 387 2.90 19 0.43 0.56 +++++++*++++++++ +++ VdW O LEU 384 - HD21 LEU 387 2.30 6 0.14 0.62 + + + ++* VdW O LEU 384 - HD22 LEU 387 2.30 7 0.18 0.61 ++ +++* + VdW O LEU 384 - HD23 LEU 387 2.30 6 0.14 0.59 ++++ * + VdW O LEU 384 - N VAL 388 2.75 7 0.19 0.24 ++ * ++ ++ VdW O LEU 384 - CG2 VAL 388 2.90 20 0.35 0.47 ++++++++*+++++++++++ VdW CG LEU 386 - N LEU 387 3.05 12 0.19 0.32 ++ * ++ ++++ + ++ VdW CG LEU 386 - CD1 LEU 387 3.20 11 0.18 0.39 ++ + + ++++ * ++ VdW HG LEU 386 - N LEU 387 2.45 13 0.20 0.35 ++ + ++ ++++ +* ++ VdW HG LEU 386 - H LEU 387 1.95 10 0.14 0.27 + + + +++* + ++ VdW HG LEU 386 - CD1 LEU 387 2.60 12 0.36 0.66 +* + ++ ++++ + ++ VdW HG LEU 386 - HD11 LEU 387 2.00 9 0.15 0.42 +* + ++ + + + + VdW HG LEU 386 - HD12 LEU 387 2.00 8 0.14 0.39 + * + + + + ++ VdW HG LEU 386 - HD13 LEU 387 2.00 7 0.11 0.43 + + ++++ * VdW CD1 LEU 386 - C LEU 386 3.10 12 0.22 0.39 ++ + +* ++++ + ++ VdW CD2 LEU 386 - C LEU 386 3.10 7 0.11 0.35 ++ +* + + + VdW N LEU 387 - CD2 LEU 387 3.05 19 0.29 0.42 +++++++++++++++* +++ VdW H LEU 387 - CD2 LEU 387 2.55 19 0.43 0.59 +++++++++++++++* +++ VdW H LEU 387 - HD21 LEU 387 1.95 6 0.18 0.69 + + + +*+ VdW H LEU 387 - HD22 LEU 387 1.95 7 0.20 0.70 ++ *+++ + VdW H LEU 387 - HD23 LEU 387 1.95 6 0.18 0.65 +*++ + + VdW CD2 LEU 387 - N VAL 388 3.05 11 0.18 0.37 ++ + ++ *+++ ++ VdW HD21 LEU 387 - N VAL 388 2.45 7 0.13 0.50 ++ *+++ + VdW HD22 LEU 387 - N VAL 388 2.45 6 0.11 0.55 ++++ + * VdW HD23 LEU 387 - N VAL 388 2.45 6 0.12 0.45 + * + +++ VdW HG12 VAL 388 - C VAL 388 2.50 9 0.15 0.38 * + + ++ ++ + + VdW HG13 VAL 388 - C VAL 388 2.50 6 0.10 0.35 + ++ +* + VdW HB2 LEU 389 - HD3 PRO 412 2.00 20 0.36 0.45 +++++++++++*++++++++ VdW O LEU 396 - NE2 GLN 401 2.75 20 0.26 0.30 +++++++++*++++++++++ VdW CB PRO 397 - HD2 PRO 398 2.60 20 0.24 0.26 ++++++++++++++++++*+ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.30 0.33 ++++++++++++++++++*+ VdW CG PRO 397 - CG1 ILE 400 3.20 20 0.38 0.39 +++++++++++++++++*++ VdW CG PRO 397 - HG13 ILE 400 2.60 6 0.16 0.26 + + + *+ + VdW HG2 PRO 397 - CG1 ILE 400 2.60 20 0.48 0.49 +++++++++++++++++++* VdW HG2 PRO 397 - HG12 ILE 400 2.00 20 0.40 0.45 +*++++++++++++++++++ VdW HD2 PRO 397 - HB ILE 400 2.00 20 0.36 0.38 ++++*+++++++++++++++ VdW CG2 VAL 404 - CD1 LEU 418 3.20 8 0.20 0.34 + * ++ + ++ + VdW H GLU 414 - CG GLU 414 2.55 8 0.18 0.25 + +* +++++ VdW H LEU 418 - CG LEU 418 2.55 20 0.32 0.35 ++*+++++++++++++++++ VdW H LEU 418 - HG LEU 418 1.95 18 0.22 0.26 ++++++++ + +++++++*+ VdW O LEU 418 - N LEU 422 2.75 10 0.17 0.32 + + ++ + ++++* VdW O LEU 418 - HG LEU 422 2.30 8 0.18 0.40 * ++ + +++ + Angle PHI ALA 63 -76.00 -56.00 8 4.40 6.11 + + +* + ++ + Angle PHI GLN 64 -78.00 -58.00 15 6.33 8.97 +++++*+ +++ ++ +++ Angle PSI LEU 65 -52.00 -32.00 18 6.58 11.33 + +++++++++ ++*+++++ Angle PSI LEU 68 -52.00 -32.00 19 7.27 11.08 ++++++++++++++*+++ + Angle PSI VAL 77 -29.00 -5.00 20 7.28 8.13 ++++++*+++++++++++++ Angle PHI SER 79 -113.00 -71.00 14 5.26 7.68 ++ ++++ *+++++ + + Angle PSI SER 79 155.00 175.00 18 10.70 23.34 ++++++++++++ ++*+ ++ Angle PSI LYS 80 -48.00 -28.00 12 5.78 12.89 + + + +++ +* + +++ Angle PSI GLU 81 -50.00 -30.00 20 12.89 16.65 +++++++++++++++++++* Angle PHI GLN 82 -76.00 -56.00 20 11.55 18.23 ++++++*+++++++++++++ Angle PSI GLN 82 -48.00 -28.00 9 4.77 8.06 ++++ ++ + + * Angle PHI MET 83 -75.00 -55.00 10 4.95 10.02 ++ + ++++ *++ Angle PSI MET 83 -52.00 -32.00 12 5.90 9.75 ++ + ++++++ + *+ Angle PSI LEU 84 -52.00 -32.00 18 7.90 12.56 ++++++ ++++++++ +++* Angle PSI GLU 85 -54.00 -34.00 20 15.46 19.32 ++++++++++*+++++++++ Angle PHI LEU 87 -77.00 -57.00 20 18.79 25.87 +++++++++++++++++++* Angle PSI LEU 87 -51.00 -31.00 14 9.09 14.42 *++ + + +++++++++ Angle PHI VAL 88 -78.00 -58.00 6 3.18 12.55 ++ + + + * Angle PSI GLU 90 -52.00 -32.00 10 4.90 6.20 ++ +++ + + ++ * Angle PHI GLN 91 -74.00 -54.00 20 7.29 9.14 +++++++++++*++++++++ Angle PSI PRO 97 132.20 154.90 20 23.50 24.45 +++++++++++++++*++++ Angle PSI PRO 98 -46.00 -28.00 20 10.00 12.97 ++++++++++++*+++++++ Angle PHI GLU 99 -76.00 -56.00 20 18.34 21.36 ++++++++++++*+++++++ Angle PHI ILE 100 -73.00 -53.00 20 13.40 14.24 ++++++++++++++++++*+ Angle PHI ARG 103 -73.00 -53.00 20 6.73 9.94 ++++++++++++*+++++++ Angle PSI ALA 116 -50.00 -30.00 6 3.91 8.70 + + *+++ Angle PHI ASP 120 -69.00 -49.00 6 3.15 9.69 + + + + + * Angle PHI GLY 121 -84.00 -58.00 15 6.06 8.99 +++*+++++ + +++ + + Angle PHI ALA 363 -76.00 -56.00 7 4.34 6.02 + ++ * +++ Angle PHI GLN 364 -78.00 -58.00 13 6.17 9.10 ++++ *+++++++ + Angle PSI LEU 365 -52.00 -32.00 17 6.08 8.35 ++++++ ++++++++ *+ + Angle PSI LEU 368 -52.00 -32.00 20 7.08 10.13 +*++++++++++++++++++ Angle PSI VAL 377 -29.00 -5.00 19 6.99 8.91 +++++++++++ *+++++++ Angle PHI SER 379 -113.00 -71.00 14 5.48 10.75 +++++ ++*++ ++ + + Angle PSI SER 379 155.00 175.00 18 10.81 16.42 ++++++*+++++ ++++ ++ Angle PSI LYS 380 -48.00 -28.00 11 5.40 9.81 + + + +++ +* +++ Angle PSI GLU 381 -50.00 -30.00 20 13.10 14.77 +++++++++++++++*++++ Angle PHI GLN 382 -76.00 -56.00 19 11.83 17.87 ++++++++ ++++++*++++ Angle PSI GLN 382 -48.00 -28.00 7 4.66 9.48 +++ ++*+ Angle PHI MET 383 -75.00 -55.00 10 5.25 10.50 + + + ++++ *++ Angle PSI MET 383 -52.00 -32.00 12 6.50 12.71 ++ ++ + ++++ * ++ Angle PSI LEU 384 -52.00 -32.00 17 7.01 9.45 *+++++++++++++ +++ Angle PSI GLU 385 -54.00 -34.00 20 15.26 19.78 +++++++++++++*++++++ Angle PHI LEU 387 -77.00 -57.00 20 18.69 32.04 ++++++++++++++++*+++ Angle PSI LEU 387 -51.00 -31.00 12 8.48 14.36 ++ + ++ +++* + ++ Angle PHI VAL 388 -78.00 -58.00 8 3.82 13.68 ++ ++ + + *+ Angle PSI GLU 390 -52.00 -32.00 10 5.09 7.09 + + + + + ++ *+ + Angle PHI GLN 391 -74.00 -54.00 20 7.90 9.44 +++++*++++++++++++++ Angle PSI PRO 397 132.20 154.90 20 23.41 24.23 ++++++++++++++++++*+ Angle PSI PRO 398 -46.00 -28.00 20 9.82 12.79 ++++*+++++++++++++++ Angle PHI GLU 399 -76.00 -56.00 20 18.17 21.29 ++++*+++++++++++++++ Angle PHI ILE 400 -73.00 -53.00 20 13.54 14.31 +++*++++++++++++++++ Angle PHI ARG 403 -73.00 -53.00 20 6.88 11.09 ++++++++++*+++++++++ Angle PSI ALA 416 -50.00 -30.00 6 3.41 8.27 ++ * + ++ Angle PHI GLY 421 -84.00 -58.00 17 6.41 9.20 ++ +++*++++++ ++++ + 181 violated distance constraints. 55 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.19 +/- 0.05 A (0.14..0.34 A; 20 structures) Average heavy atom RMSD to mean : 0.62 +/- 0.05 A (0.56..0.76 A; 20 structures)