Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 246.80 158 0.1147 1.66 129 107.4 0.49 47 4.2104 21.11 2 248.20 163 0.1141 1.60 136 103.7 0.58 45 4.2170 21.04 3 248.84 175 0.1152 1.56 131 101.5 0.52 39 4.3023 21.14 4 249.42 172 0.1153 1.81 136 102.3 0.58 40 4.1135 21.33 5 251.29 165 0.1153 1.56 141 106.2 0.59 44 4.5576 21.13 6 259.42 168 0.1161 1.36 155 107.8 0.59 44 4.7873 20.80 7 260.08 176 0.1169 1.84 148 105.9 0.65 55 4.7699 25.56 8 260.58 172 0.1172 2.44 146 108.3 0.55 51 4.5667 20.86 9 260.83 179 0.1166 2.49 155 111.6 0.54 50 4.5167 20.89 10 262.22 163 0.1171 2.53 147 109.1 0.55 47 4.3762 21.26 11 263.14 175 0.1182 1.76 132 103.8 0.60 50 4.3532 21.13 12 264.35 170 0.1191 1.95 137 105.0 0.61 48 4.3913 21.07 13 265.76 176 0.1178 2.42 164 107.4 0.53 49 4.6706 21.34 14 266.96 164 0.1170 1.90 175 111.4 0.62 50 4.6239 20.74 15 267.47 173 0.1173 2.45 168 113.6 0.59 48 4.7570 21.92 16 267.88 173 0.1183 1.81 148 115.3 0.58 56 4.4329 20.97 17 268.27 175 0.1188 2.52 152 107.9 0.56 51 4.5302 20.83 18 268.76 171 0.1182 2.38 149 111.2 0.64 46 4.6413 20.86 19 269.23 166 0.1188 2.47 149 112.9 0.57 48 4.7034 21.36 20 269.26 188 0.1189 1.86 140 108.7 0.62 44 4.3759 20.98 Ave 260.94 171 0.1170 2.02 147 108.1 0.58 48 4.4949 21.32 +/- 7.61 7 0.0015 0.39 12 3.7 0.04 4 0.1945 1.01 Min 246.80 158 0.1141 1.36 129 101.5 0.49 39 4.1135 20.74 Max 269.26 188 0.1191 2.53 175 115.3 0.65 56 4.7873 25.56 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H LEU 45 - HG LEU 45 3.23 9 0.37 0.90 + ++ + + + *++ peak 686 Upper QD PHE 47 - QD1 LEU 65 4.18 14 0.66 0.77 *+ + + ++++++ ++++ peak 2398 Upper QD PHE 47 - H ARG 70 4.68 7 0.59 0.70 + * + ++ + + peak 97 Upper HZ PHE 47 - HG LEU 387 3.81 10 0.45 0.72 + +* + ++ ++ ++ peak 296 Upper H PHE 50 - QB ALA 395 4.39 13 0.63 0.77 + + +++ +*+ +++ ++ peak 777 Upper HA PHE 50 - HB3 HIS 51 4.65 20 0.79 0.89 ++++++++++++++++*+++ peak 2038 Upper QD TYR 52 - QG2 VAL 419 3.77 15 0.66 0.90 *++++++++++++ ++ peak 250 Upper QE TYR 52 - QD PHE 392 3.76 16 0.69 1.01 +++++ +++ +++ +*+++ peak 8337 Upper QE TYR 52 - QB ALA 395 4.23 20 1.22 1.32 ++++++++++++++++*+++ peak 234 Upper QE TYR 52 - HB3 LEU 396 3.47 20 0.82 1.17 ++++++++++++*+++++++ peak 8330 Upper HA ALA 55 - QG2 THR 56 4.28 20 1.12 1.18 ++++++++++++*+++++++ peak 2114 Upper HB THR 56 - HG2 GLU 60 4.22 19 0.73 0.91 ++++++++++ +++*+++++ peak 2104 Upper HG2 PRO 58 - H ALA 417 4.41 12 0.62 0.81 ++++ + +* + + +++ peak 1291 Upper H GLN 59 - HG LEU 62 4.91 11 0.71 1.37 ++ ++ + + ++ +* + peak 839 Upper QB GLN 59 - H LEU 62 4.02 20 0.72 0.83 +++++++++++++*++++++ peak 881 Upper QB GLN 59 - H ALA 63 4.06 20 0.75 0.89 ++++++++++++++*+++++ peak 897 Upper QB GLN 59 - QB ALA 416 3.15 19 0.82 1.10 *+++++++++++++++ +++ peak 8137 Upper H GLU 60 - HA ALA 61 4.54 20 0.76 0.83 ++++++++++++++++*+++ peak 2256 Upper HB3 GLU 60 - HE22 GLN 64 4.44 9 0.42 0.74 + ++ *+ + + + + peak 925 Upper H ALA 61 - H ALA 63 3.31 20 0.79 0.87 +++++++++*++++++++++ peak 178 Upper H LEU 62 - HG LEU 62 3.15 11 0.53 1.03 ++ ++ + + ++ +* + peak 884 Upper H LEU 62 - HA ALA 63 4.23 20 0.94 1.02 ++++++*+++++++++++++ peak 876 Upper HB3 LEU 62 - QB ALA 416 3.68 20 0.97 1.19 ++++++*+++++++++++++ peak 8139 Upper HG LEU 62 - HG3 PRO 412 4.14 9 0.73 1.69 ++ + + +* + + + peak 3779 Upper HG LEU 62 - HG2 GLU 413 5.06 6 0.27 0.74 +* + ++ + peak 3840 Upper QD1 LEU 62 - H ARG 66 5.40 12 0.71 1.07 ++ *+ + + +++++ + peak 2306 Upper QD1 LEU 62 - QG1 VAL 388 3.37 11 0.77 1.22 ++ ++ + + +* ++ + peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.73 8 0.33 0.82 *+ + + + + + + peak 8306 Upper QD2 LEU 62 - QG1 VAL 419 4.14 20 1.20 1.34 ++++++++++++++*+++++ peak 3950 Upper HA GLN 64 - HG3 GLN 64 3.36 11 0.42 0.75 ++++ + + + ++* + peak 1339 Upper HA GLN 64 - HE22 GLN 64 4.93 10 0.50 0.82 + ++ ++ + + + + * peak 394 Upper HE22 GLN 64 - QD1 LEU 68 5.27 19 0.76 0.92 ++++++++++ ++++++++* peak 929 Upper H LEU 65 - HG LEU 65 3.51 9 0.36 0.91 + +++++ + + * peak 935 Upper QD1 LEU 65 - H GLU 67 5.20 20 0.86 1.05 +++++++*++++++++++++ peak 957 Upper QD2 LEU 65 - H GLN 391 4.71 8 0.31 0.80 + +*+++ + + peak 1153 Upper QD2 LEU 65 - QD PHE 392 4.15 6 0.57 0.84 + + * + ++ peak 2402 Upper QB ARG 66 - H VAL 388 4.88 18 0.82 0.98 ++*+++++++++++ +++ + peak 2448 Upper H GLU 67 - QD2 LEU 68 4.46 7 0.45 1.07 +++ + + * + peak 2531 Upper QB GLU 67 - H GLN 71 4.28 18 0.77 0.98 +++++ ++++++++* ++++ peak 2482 Upper QD2 LEU 68 - H CYS 69 3.83 7 0.58 0.75 +*+ + + + + peak 2535 Upper HB2 CYS 69 - HB3 LEU 73 3.89 11 0.56 0.78 + ++++ + + *++ + peak 8276 Upper HB3 CYS 69 - H VAL 388 4.45 9 0.61 0.81 + *++ + + + + + peak 1116 Upper HA ARG 70 - HD2 ARG 70 3.72 10 0.39 0.79 ++ + + *+ +++ + peak 214 Upper HD2 ARG 70 - H ARG 74 5.26 9 0.33 0.75 ++ * ++ +++ + peak 2606 Upper HD2 ARG 70 - QD1 LEU 384 4.45 18 0.77 1.02 +++++++*+ ++++ +++++ peak 2570 Upper H TRP 72 - HA ARG 74 4.76 18 0.66 0.81 + ++++++++++++ +++*+ peak 2671 Upper HB2 TRP 72 - H ARG 74 5.23 19 0.78 0.93 +++++++++* +++++++++ peak 2647 Upper HB3 TRP 72 - HZ3 TRP 72 4.11 20 0.71 0.73 ++++++++++++++++++*+ peak 214 Upper HB2 LEU 73 - H MET 83 4.91 7 0.52 0.92 + *++ ++ + peak 1076 Upper QD2 LEU 73 - QE MET 83 3.74 20 1.09 1.70 ++++++*+++++++++++++ peak 2937 Upper QD2 LEU 73 - QB LEU 384 4.08 8 0.70 1.49 + * + + +++ + peak 2938 Upper QG ARG 74 - H ARG 78 4.18 20 0.76 0.87 ++++++++++*+++++++++ peak 2673 Upper HA PRO 75 - QG2 VAL 77 3.96 19 0.65 0.83 ++++++++++ ++++*++++ peak 2694 Upper HD3 PRO 75 - QE MET 83 3.98 20 0.97 1.13 +++++++++*++++++++++ peak 1641 Upper H VAL 77 - HG2 ARG 78 3.63 6 0.60 0.80 + ++ +*+ peak 1018 Upper HB VAL 77 - HB3 ARG 78 4.22 19 1.10 1.81 ++++++++++ ++++*++++ peak 2776 Upper H ARG 78 - HG2 MET 83 4.69 17 0.69 0.87 + +++++++++++++ ++* peak 1022 Upper H SER 79 - HA GLN 82 3.70 20 0.86 1.09 ++++++++++*+++++++++ peak 2933 Upper HG3 LYS 80 - H GLU 81 4.38 7 0.30 0.73 + ++ + *+ + peak 1047 Upper QD LYS 80 - QD1 LEU 84 4.57 8 0.66 1.37 +++ * + + ++ peak 2853 Upper H MET 83 - QB LEU 84 4.68 13 0.62 0.95 + ++ +*++ ++ ++ ++ peak 3014 Upper HA MET 83 - QD1 LEU 84 3.14 20 0.93 1.16 +++++++++++++*++++++ peak 8316 Upper HB2 MET 83 - QB LEU 84 4.10 13 0.68 0.93 ++++++ ++ +* + ++ peak 3000 Upper QE MET 83 - QD1 LEU 84 2.57 20 0.90 1.14 ++++++++++*+++++++++ peak 1636 Upper QB LEU 84 - QD2 LEU 87 3.08 9 0.59 1.25 + ++ + *+ ++ + peak 3114 Upper QB LEU 84 - QG1 VAL 88 3.74 20 1.25 1.50 +++++++++++*++++++++ peak 2998 Upper QB LEU 84 - QD2 LEU 373 4.08 9 0.68 1.46 ++ ++ + ++ * + peak 2938 Upper QD1 LEU 84 - H LEU 87 4.39 12 0.71 1.04 * ++ ++++ ++ ++ + peak 8320 Upper QD1 LEU 84 - HD2 ARG 370 4.45 18 0.84 1.15 ++++++++++++ * +++++ peak 2570 Upper H LEU 86 - HB VAL 88 3.77 14 1.10 2.52 + ++ +++++++ + *++ peak 1092 Upper HA LEU 87 - QD2 LEU 87 3.16 20 0.86 0.98 +++++++++++++++++++* peak 847 Upper HG LEU 87 - HZ PHE 347 3.81 11 0.42 0.75 + ++ +++++* + + peak 296 Upper HG LEU 87 - QD2 LEU 373 4.12 6 0.52 0.79 + ++ + * + peak 8184 Upper QD1 LEU 87 - HH2 TRP 372 3.91 6 0.25 0.81 + ++ + + * peak 205 Upper H VAL 88 - QB ARG 366 4.88 16 0.79 1.01 +++++*++ +++ ++++ + peak 2448 Upper H VAL 88 - HB3 CYS 369 4.45 10 0.61 1.01 ++++ + ++ + + * peak 1116 Upper QG1 VAL 88 - H GLU 90 4.16 11 0.60 0.82 +*+ ++ ++ +++ + peak 8205 Upper QG1 VAL 88 - H LEU 362 4.76 6 0.55 0.84 + + +*++ peak 886 Upper QG1 VAL 88 - QD1 LEU 362 3.37 9 0.73 1.23 +++ ++ +++ * peak 8300 Upper QG2 VAL 88 - HG3 PRO 112 4.28 6 0.42 0.75 + + *++ + peak 3778 Upper HG LEU 89 - H GLU 90 3.93 7 0.41 0.68 +++ + + + * peak 1145 Upper QD1 LEU 89 - HD2 PRO 112 4.70 14 0.54 0.85 ++* ++ + ++++++++ peak 3775 Upper QD2 LEU 89 - HG3 PRO 112 3.34 20 1.21 1.36 +*++++++++++++++++++ peak 3776 Upper H GLN 91 - QD PHE 92 4.79 20 1.03 1.11 +++++++++++++++++++* peak 1149 Upper H GLN 91 - QD2 LEU 365 4.71 9 0.31 0.80 + +++ * + ++ + peak 1153 Upper H PHE 92 - HA LEU 93 4.33 20 0.85 1.01 ++++*+++++++++++++++ peak 428 Upper HB2 PHE 92 - H GLY 94 4.63 9 0.60 0.78 + + + ++++*+ peak 437 Upper QD PHE 92 - QE TYR 352 3.76 16 0.71 0.99 +++++++++ ++ * +++ + peak 8337 Upper QE PHE 92 - HA PRO 112 3.44 8 0.51 0.77 +++ ++ * + + peak 111 Upper HZ PHE 92 - QD1 LEU 362 3.73 11 0.40 0.84 * + + + +++++++ peak 8306 Upper H LEU 93 - HG LEU 93 3.73 13 0.43 0.71 + +++++ ++ ++ *++ peak 3285 Upper QB ALA 95 - H PHE 350 4.39 17 0.64 0.75 ++ ++++ +++++ +++*++ peak 777 Upper QB ALA 95 - QE TYR 352 4.23 20 1.21 1.34 ++*+++++++++++++++++ peak 234 Upper HA LEU 96 - HG2 PRO 97 3.73 20 0.81 0.87 +++++*++++++++++++++ peak 3408 Upper HB3 LEU 96 - QE TYR 352 3.47 20 0.78 1.12 ++*+++++++++++++++++ peak 8330 Upper HG LEU 96 - QG2 VAL 119 3.83 6 0.44 0.84 * + + + + + peak 3956 QG2 VAL 119 - HB2 LEU 122 Upper QD1 LEU 96 - HG12 ILE 100 4.62 19 0.72 0.82 ++ +++++++++*+++++++ peak 3468 Upper HD2 PRO 97 - H ILE 100 4.01 20 0.70 0.71 +++++++++++++*++++++ peak 245 Upper QB GLU 99 - HG12 ILE 100 3.63 17 0.67 0.92 ++ +++ ++++*++++ +++ peak 3476 Upper H ILE 100 - HG13 ILE 100 3.49 19 0.79 0.85 +++++* +++++++++++++ peak 233 Upper HG12 ILE 100 - QG1 VAL 119 3.90 6 0.59 1.11 + *+ + + + peak 3953 Upper QB ALA 102 - QG GLN 105 3.94 11 0.55 0.80 +++* +++++ ++ peak 4097 Upper QQG VAL 104 - HB3 LEU 118 3.36 12 0.59 0.69 * ++ + + +++++++ peak 3593 Upper HB3 PRO 109 - HB2 SER 111 5.01 6 0.20 0.68 + + + + + * peak 3740 Upper HG3 PRO 112 - HG LEU 362 4.14 11 0.90 1.80 + + + + +++*+++ peak 3779 Upper H GLU 113 - HA GLU 114 4.39 20 0.87 0.98 +++++++++++*++++++++ peak 3875 Upper HA GLU 113 - H ALA 117 4.25 7 0.59 0.84 +++ ++ *+ peak 575 Upper HG2 GLU 113 - H GLU 114 4.34 6 0.31 0.71 ++ ++ * + peak 3817 Upper HG2 GLU 113 - HG LEU 362 5.06 9 0.34 0.78 * + + +++++ + peak 3840 Upper HG3 GLU 113 - H GLU 114 4.41 8 0.47 0.66 * + + ++++ + peak 3819 Upper H GLU 114 - QD2 LEU 118 4.61 10 0.62 0.75 + + +*+ ++ + ++ peak 1278 Upper QB GLU 114 - H ALA 117 4.06 20 0.74 0.79 *+++++++++++++++++++ peak 1292 Upper QB ALA 115 - H ALA 117 3.72 20 0.80 0.86 +++++*++++++++++++++ peak 1295 Upper HA ALA 116 - HB VAL 119 3.56 12 0.60 1.07 +* + + + ++ ++ +++ peak 3960 Upper QB ALA 116 - H VAL 119 3.87 20 0.94 1.06 ++*+++++++++++++++++ peak 1660 Upper QB ALA 116 - QB GLN 359 3.15 18 0.76 1.02 +++++ ++ ++++++*++++ peak 8137 Upper QB ALA 116 - HB3 LEU 362 3.68 20 0.95 1.21 ++++++++++++*+++++++ peak 8139 Upper H ALA 117 - HG2 PRO 358 4.41 15 0.66 0.80 + ++++++ ++ +* ++++ peak 1291 Upper H LEU 118 - QG2 VAL 119 4.53 8 0.49 1.27 + + *+ + + + + peak 8191 Upper HB2 LEU 118 - H VAL 119 3.39 19 0.65 0.78 ++++++ ++++++*++++++ peak 1310 Upper HB2 LEU 118 - H GLY 121 4.74 19 0.68 0.83 +++++* +++++++++++++ peak 3907 Upper H VAL 119 - HA ASP 120 4.69 9 0.60 0.62 * ++ +++ + + + peak 626 Upper HB VAL 119 - H GLY 121 4.45 12 0.80 1.08 ++ + + + ++ ++ ++* peak 1317 Upper QG1 VAL 119 - QD2 LEU 362 4.14 20 1.17 1.34 ++++++++++++*+++++++ peak 3950 Upper QG2 VAL 119 - QD TYR 352 3.77 12 0.54 0.83 ++ + * + ++ ++ +++ peak 250 Upper HA LEU 122 - QD1 LEU 122 3.46 8 0.50 0.62 + + ++ *++ + peak 933 Upper HA LEU 122 - QD2 LEU 122 2.85 11 0.41 0.80 *+ + ++ ++ +++ + peak 565 Upper QD2 LEU 122 - H ARG 124 3.48 7 0.30 0.74 * ++ + ++ + peak 3079 Upper H LEU 345 - HG LEU 345 3.23 9 0.42 1.33 +++ + + + *++ peak 686 Upper QD PHE 347 - QD1 LEU 365 4.18 10 0.62 0.83 +++ * +++ + ++ peak 2398 Upper QD PHE 347 - H ARG 370 4.68 7 0.57 0.75 + +++ + *+ peak 97 Upper HA PHE 350 - HB3 HIS 351 4.65 20 0.81 0.88 ++++++++++++++++*+++ peak 2038 Upper QE PHE 350 - H LEU 362 4.64 6 0.55 0.68 + * ++ + + peak 78 Upper HA ALA 355 - QG2 THR 356 4.28 20 1.14 1.20 ++++++++++++++*+++++ peak 2114 Upper HB THR 356 - HG2 GLU 360 4.22 17 0.73 0.85 +++++++++++ +++++ * peak 2104 Upper H GLN 359 - HG LEU 362 4.91 9 0.60 1.45 +++ +* +++ + peak 839 Upper QB GLN 359 - H LEU 362 4.02 19 0.71 0.80 ++*+++++++++++++ +++ peak 881 Upper QB GLN 359 - H ALA 363 4.06 19 0.75 0.87 ++++++++++++*+++ +++ peak 897 Upper H GLU 360 - HA ALA 361 4.54 20 0.78 0.84 +++++*++++++++++++++ peak 2256 Upper HB3 GLU 360 - HE22 GLN 364 4.44 7 0.44 0.75 ++ +++ *+ peak 925 Upper H ALA 361 - H ALA 363 3.31 20 0.82 0.88 +++++++++++*++++++++ peak 178 Upper H LEU 362 - HG LEU 362 3.15 9 0.44 1.02 +++ ++ ++* + peak 884 Upper H LEU 362 - HA ALA 363 4.23 20 0.94 1.00 ++++++++++++*+++++++ peak 876 Upper H LEU 362 - HG LEU 365 5.42 8 0.30 0.78 * ++ + + ++ + peak 2392 H GLN 364 - HG LEU 365 Upper QD1 LEU 362 - H ARG 366 5.40 13 0.66 1.05 ++++*+++++++ + peak 2306 Upper QB ALA 363 - H LEU 365 4.00 7 0.56 0.70 +++* + + + peak 1698 Upper HA GLN 364 - HG3 GLN 364 3.36 11 0.41 0.76 ++ ++++ +*+ ++ peak 1339 Upper HA GLN 364 - HE22 GLN 364 4.93 9 0.61 1.20 ++ +++* +++ peak 394 Upper HE22 GLN 364 - QD1 LEU 368 5.27 17 0.77 0.96 +++++*++++ +++++++ peak 929 Upper H LEU 365 - HG LEU 365 3.51 9 0.38 0.94 + +++ + + +* + peak 935 Upper QD1 LEU 365 - H GLU 367 5.20 20 0.91 1.08 +++++++++++++++++++* peak 957 Upper H GLU 367 - QD2 LEU 368 4.46 6 0.47 1.09 * + ++++ peak 2531 Upper QB GLU 367 - H GLN 371 4.28 19 0.78 0.97 ++++++++++++*++++++ peak 2482 Upper QD2 LEU 368 - H CYS 369 3.83 8 0.59 0.72 + *+ + ++++ peak 2535 Upper HB2 CYS 369 - HB3 LEU 373 3.89 13 0.65 0.97 ++ ++++++ *++ ++ peak 8276 Upper HA ARG 370 - HD2 ARG 370 3.72 11 0.44 0.81 ++ + + ++* + +++ peak 214 Upper HD2 ARG 370 - H ARG 374 5.26 8 0.36 0.93 ++ + +*+ + + peak 2606 Upper HG2 GLN 371 - QG ARG 374 4.52 6 0.50 0.78 + *+ + + + peak 2614 Upper HG3 GLN 371 - H TRP 372 4.46 7 0.28 0.73 ++++ + + * peak 2626 Upper H TRP 372 - QD2 LEU 373 4.94 6 0.54 0.96 * +++ + + peak 1341 Upper H TRP 372 - HA ARG 374 4.76 16 0.59 0.76 +++++++++ +++ ++ *+ peak 2671 Upper HB2 TRP 372 - H ARG 374 5.23 17 0.71 0.89 +++++++++ ++* +++++ peak 2647 Upper HB3 TRP 372 - HZ3 TRP 372 4.11 20 0.71 0.72 +++++++++++*++++++++ peak 214 Upper QD1 LEU 373 - H MET 383 5.16 8 0.52 0.96 + + *++++ + peak 1073 H MET 83 - QD1 LEU 373 Upper QD2 LEU 373 - QE MET 383 3.74 19 0.96 1.60 +++++++++ +++++++*++ peak 2937 Upper QG ARG 374 - H ARG 378 4.18 17 0.68 0.97 +++++++++ ++ +++++* peak 2673 Upper HA PRO 375 - QG2 VAL 377 3.96 17 0.66 0.83 +++++++++ *+ ++++++ peak 2694 Upper HD2 PRO 375 - H ARG 378 4.92 6 0.60 0.74 + + *++ + peak 301 Upper HD3 PRO 375 - QE MET 383 3.98 19 0.96 1.39 +++ +++++++++++++++* peak 1641 Upper H VAL 377 - HG2 ARG 378 3.63 6 0.59 0.87 *+ + + ++ peak 1018 Upper HB VAL 377 - HB3 ARG 378 4.22 20 1.22 1.94 +++++++++++++++++*++ peak 2776 Upper H ARG 378 - HG2 MET 383 4.69 11 0.59 0.81 +++++ +++ ++* peak 1022 Upper H SER 379 - HA GLN 382 3.70 20 0.85 1.00 +++++++++++++++++*++ peak 2933 Upper QD LYS 380 - QD1 LEU 384 4.57 8 0.60 1.30 + *++ + + ++ peak 2853 Upper H MET 383 - QB LEU 384 4.68 15 0.66 0.94 + + * +++++++ +++++ peak 3014 Upper HA MET 383 - QD1 LEU 384 3.14 20 0.99 1.24 +++*++++++++++++++++ peak 8316 Upper HB2 MET 383 - QB LEU 384 4.10 13 0.67 0.95 ++ +* +++++ +++ + peak 3000 Upper QE MET 383 - QD1 LEU 384 2.57 19 0.85 1.10 +++ +++++++++++*++++ peak 1636 Upper QB LEU 384 - QD2 LEU 387 3.08 7 0.57 1.41 + * ++ + ++ peak 3114 Upper QB LEU 384 - QG1 VAL 388 3.74 20 1.27 1.47 +++++++++++*++++++++ peak 2998 Upper QD1 LEU 384 - H LEU 387 4.39 17 0.81 1.03 *+++ +++++++++ ++++ peak 8320 Upper H LEU 386 - QD2 LEU 387 4.56 6 0.34 1.08 + + + +* + peak 1097 Upper H LEU 386 - HB VAL 388 3.77 17 1.04 2.53 ++++ ++++* ++++ ++++ peak 1092 Upper HA LEU 387 - QD2 LEU 387 3.16 20 0.84 0.95 ++++*+++++++++++++++ peak 847 Upper QG1 VAL 388 - H GLU 390 4.16 10 0.58 0.80 *++ ++ + + ++ + peak 8205 Upper HG LEU 389 - H GLU 390 3.93 6 0.28 0.70 + + +* + + peak 1145 Upper QD1 LEU 389 - HD2 PRO 412 4.70 9 0.35 0.81 +++ +++* + + peak 3775 Upper QD2 LEU 389 - HG3 PRO 412 3.34 20 1.22 1.33 ++++++++++++++++++*+ peak 3776 Upper H GLN 391 - QD PHE 392 4.79 20 1.01 1.09 ++++++++++*+++++++++ peak 1149 Upper H PHE 392 - HA LEU 393 4.33 20 0.84 1.02 ++++*+++++++++++++++ peak 428 Upper HB2 PHE 392 - H GLY 394 4.63 7 0.58 0.71 ++ +++ * + peak 437 Upper H LEU 393 - HG LEU 393 3.73 10 0.34 0.71 *++ ++ ++ + + + peak 3285 Upper HA LEU 396 - HG2 PRO 397 3.73 20 0.80 0.84 *+++++++++++++++++++ peak 3408 Upper HG LEU 396 - QG2 VAL 419 3.83 10 0.57 0.88 + ++++* ++ ++ peak 3956 QG2 VAL 419 - HB2 LEU 422 Upper QD1 LEU 396 - HG12 ILE 400 4.62 19 0.71 0.80 ++++++++++++++*+ +++ peak 3468 Upper HD2 PRO 397 - H ILE 400 4.01 20 0.70 0.72 *+++++++++++++++++++ peak 245 Upper QB GLU 399 - HG12 ILE 400 3.63 18 0.65 0.72 ++++*+++++++ +++ +++ peak 3476 Upper H ILE 400 - HG13 ILE 400 3.49 20 0.80 0.83 *+++++++++++++++++++ peak 233 Upper HG12 ILE 400 - QG1 VAL 419 3.90 11 0.60 0.80 + + +++++* + ++ peak 3953 Upper QB ALA 402 - QG GLN 405 3.94 14 0.57 0.96 * +++ ++++++ + +++ peak 4097 Upper QQG VAL 404 - HB3 LEU 418 3.36 9 0.59 0.68 +* ++ + ++++ peak 3593 Upper H GLU 413 - HA GLU 414 4.39 20 0.85 0.98 ++++++++++*+++++++++ peak 3875 Upper HA GLU 413 - H ALA 417 4.25 12 0.63 0.83 +++++ + * + +++ + peak 575 Upper HG2 GLU 413 - H GLU 414 4.34 7 0.39 0.75 ++ + +* ++ peak 3817 Upper HG3 GLU 413 - H GLU 414 4.41 7 0.45 0.67 ++ + ++ + * peak 3819 Upper H GLU 414 - QD2 LEU 418 4.61 7 0.58 0.70 *++ + + + + peak 1278 Upper QB GLU 414 - H ALA 417 4.06 20 0.73 0.80 ++*+++++++++++++++++ peak 1292 Upper QB ALA 415 - H ALA 417 3.72 20 0.80 0.87 +++++*++++++++++++++ peak 1295 Upper HA ALA 416 - HB VAL 419 3.56 16 0.82 1.11 + ++++++++*++++ ++ peak 3960 Upper QB ALA 416 - H VAL 419 3.87 20 0.97 1.10 +++++++++++*++++++++ peak 1660 Upper HB2 LEU 418 - H VAL 419 3.39 20 0.66 0.77 +*++++++++++++++++++ peak 1310 Upper HB2 LEU 418 - H GLY 421 4.74 20 0.71 0.98 *+++++++++++++++++++ peak 3907 Upper H VAL 419 - HA ASP 420 4.69 11 0.59 0.63 +* +++ ++ + +++ peak 626 Upper HB VAL 419 - H GLY 421 4.45 16 0.91 1.10 + +++++++++++++ +* peak 1317 Upper HA LEU 422 - QD1 LEU 422 3.46 7 0.54 0.63 + ++ *++ + peak 933 Upper HA LEU 422 - QD2 LEU 422 2.85 15 0.56 0.80 +++ ++*+++ ++++++ peak 565 VdW HA2 GLY 39 - CD PRO 40 2.60 20 0.22 0.26 ++++++++++++++++*+++ VdW HB2 PRO 40 - HD1 TRP 72 2.00 18 0.24 0.28 ++++++ +++*+++++++ + VdW HB2 PHE 47 - HB3 LEU 68 2.00 15 0.22 0.33 ++ ++*++ +++++ +++ VdW HZ PHE 47 - HA VAL 388 2.00 20 0.35 0.45 ++++++++++++++++++*+ VdW HZ PHE 50 - HA ALA 61 2.00 13 0.20 0.29 ++ + +++ + ++*++ + VdW N HIS 51 - CG HIS 51 2.85 7 0.19 0.21 + + + * +++ VdW CD1 TYR 52 - CD2 LEU 396 3.20 6 0.12 0.22 *+ + + + + VdW HD1 TYR 52 - HD3 PRO 397 2.00 11 0.16 0.32 + +++ ++++ +*+ VdW CE1 TYR 52 - CD2 LEU 396 3.20 12 0.15 0.29 ++ ++++ ++* +++ VdW HE1 TYR 52 - CA PRO 58 2.60 6 0.08 0.27 ++++ + * VdW HE1 TYR 52 - HA PRO 58 2.00 6 0.08 0.27 +++* + + VdW CE2 TYR 52 - CD2 LEU 396 3.20 6 0.07 0.28 +++* + + VdW HE2 TYR 52 - CA PRO 58 2.60 11 0.15 0.29 ++ *++ ++++ ++ VdW HE2 TYR 52 - HA PRO 58 2.00 12 0.19 0.42 ++ ++++ ++*+ ++ VdW HD2 TYR 52 - HD3 PRO 397 2.00 7 0.09 0.31 *+++ + + + VdW N GLU 53 - HG2 GLU 53 2.45 10 0.20 0.33 ++ + +++ * +++ VdW HG3 GLU 53 - CG2 THR 56 2.60 12 0.21 0.25 + ++ *+ ++ ++ +++ VdW OG1 THR 56 - HG2 GLU 60 2.30 12 0.21 0.32 ++ ++ ++ + + +*+ + VdW CG2 THR 56 - HG2 GLU 60 2.60 18 0.35 0.42 ++++++++++ ++ +++*++ VdW HB2 PRO 58 - CB ALA 416 2.60 16 0.34 0.49 ++ ++++++++++*+ ++ VdW HB3 PRO 58 - CG2 VAL 419 2.60 7 0.16 0.30 + +++ +* + VdW HB3 PRO 58 - HG23 VAL 419 2.00 7 0.10 0.33 + * + + ++ + VdW HG3 PRO 58 - O ALA 416 2.30 9 0.18 0.30 + + +++ + * + + VdW O PRO 58 - HD22 LEU 62 2.30 7 0.11 0.30 ++ + +* ++ VdW HG3 GLU 60 - C GLU 60 2.50 19 0.31 0.37 ++++++++*++++ ++++++ VdW O GLU 60 - CG GLN 64 2.90 7 0.12 0.31 + + + + * + + VdW CA LEU 62 - CD1 LEU 62 3.00 10 0.12 0.25 ++ +* + + + ++ + VdW HA LEU 62 - CD1 LEU 62 2.60 10 0.14 0.30 ++ ++ + + + +* + VdW HG LEU 62 - HB2 PRO 412 2.00 6 0.13 0.33 + *+ + + + VdW CD1 LEU 62 - HB2 PRO 412 2.60 8 0.13 0.33 ++ ++ * + ++ VdW CD2 LEU 62 - HB2 PRO 412 2.60 9 0.14 0.36 ++ + + ++ * + + VdW N GLN 64 - CG GLN 64 2.85 10 0.18 0.21 ++++ + + +*+ + VdW N GLN 64 - HG2 GLN 64 2.45 13 0.24 0.45 ++ ++ ++ +*+ + +++ VdW H GLN 64 - CG GLN 64 2.55 18 0.26 0.34 +++++ ++++ +++++*+++ VdW H GLN 64 - HG2 GLN 64 1.95 11 0.26 0.53 ++++ ++ * +++ + VdW O GLN 64 - N LEU 68 2.75 6 0.18 0.37 +++ * + + VdW O GLN 64 - H LEU 68 1.80 6 0.13 0.32 +++ * + + VdW O GLN 64 - HG LEU 68 2.30 6 0.08 0.31 ++ * + + + VdW CD1 LEU 65 - HB2 PHE 392 2.60 9 0.13 0.30 ++ + + * + +++ VdW O LEU 65 - SG CYS 69 3.10 16 0.29 0.46 +++++++++ +++*+++ VdW HA ARG 66 - CG2 VAL 388 2.60 6 0.14 0.29 + + + *+ + VdW CG GLU 67 - C GLU 67 2.90 19 0.22 0.24 +++++++*+++++++ ++++ VdW CA LEU 68 - CD1 LEU 68 3.00 13 0.17 0.27 ++ ++ *+ +++ + +++ VdW HA LEU 68 - CD1 LEU 68 2.60 12 0.26 0.47 ++ ++ +* +++ +++ VdW HA CYS 69 - HE3 TRP 72 2.00 8 0.20 0.48 + + + + ++ * + VdW SG CYS 69 - CB LEU 384 3.40 7 0.14 0.29 + + + + + +* VdW SG CYS 69 - HB3 LEU 384 2.80 9 0.19 0.37 + * + ++++ ++ VdW SG CYS 69 - CG2 VAL 388 3.40 14 0.21 0.38 ++++++ + +++ *++ + VdW C ARG 70 - N TRP 72 2.95 9 0.18 0.25 ++ * ++ +++ + VdW C ARG 70 - H TRP 72 2.45 13 0.22 0.33 ++ * +++++++++ + VdW O ARG 70 - N ARG 74 2.75 20 0.35 0.39 +++++++++++++++++++* VdW O ARG 70 - H ARG 74 1.80 20 0.32 0.38 ++++++++++++++++++*+ VdW CG TRP 72 - C TRP 72 2.90 17 0.22 0.24 ++++++ ++++ ++*+++ + VdW HE1 TRP 72 - HB3 LEU 86 1.95 10 0.21 0.43 +*++ +++ + ++ VdW HE1 TRP 72 - HG LEU 86 1.95 8 0.11 0.26 +++++ + * + VdW O LEU 73 - C ARG 74 2.80 19 0.30 0.43 ++++++++++*++ ++++++ VdW CB ARG 74 - CG2 VAL 77 3.20 17 0.21 0.40 ++++++++ +*++++ ++ + VdW HB3 PRO 75 - SD MET 83 2.80 20 0.40 0.60 ++++++++++*+++++++++ VdW O SER 79 - HB2 GLN 82 2.30 7 0.13 0.31 + ++ *+ + + VdW HG3 LYS 80 - HB2 PRO 375 2.00 6 0.10 0.31 + ++ + *+ VdW O LYS 80 - CD2 LEU 84 2.90 11 0.22 0.43 + +++++ * ++ ++ VdW HA GLU 81 - CD2 LEU 84 2.60 9 0.15 0.39 * + +++ + ++ + VdW O GLN 82 - HG LEU 86 2.30 6 0.14 0.41 ++ ++ +* VdW N LEU 84 - CD1 LEU 84 3.05 11 0.27 0.58 * + +++ + +++ + + VdW N LEU 84 - CD2 LEU 84 3.05 7 0.14 0.35 + ++ ++ + * VdW H LEU 84 - CG LEU 84 2.55 13 0.22 0.35 + ++ +*++ ++ ++ ++ VdW H LEU 84 - CD1 LEU 84 2.55 9 0.24 0.65 + + *++ + ++ + VdW H LEU 84 - CD2 LEU 84 2.55 13 0.19 0.32 + ++ +*+ +++ ++ ++ VdW HB3 LEU 84 - SG CYS 369 2.80 6 0.15 0.45 +*+ + ++ VdW O LEU 84 - CD2 LEU 87 2.90 6 0.16 0.62 + ++ * + + VdW CA LEU 86 - CD1 LEU 86 3.00 6 0.09 0.25 ++ * + + + VdW HA VAL 88 - HZ PHE 347 2.00 20 0.35 0.44 +++++++++++++++++++* VdW CG1 VAL 88 - C VAL 88 2.90 10 0.16 0.25 + ++ + + + +++ * VdW CG2 VAL 88 - HA ARG 366 2.60 6 0.13 0.31 ++ * ++ + VdW CG2 VAL 88 - SG CYS 369 3.40 12 0.17 0.30 + ++*++ ++ +++ + VdW HB2 LEU 89 - HD3 PRO 112 2.00 17 0.34 0.48 +++ +++* ++++++++++ VdW HA GLN 91 - CD GLN 91 2.50 9 0.14 0.31 * + +++++ ++ VdW HB2 PHE 92 - CD1 LEU 365 2.60 10 0.14 0.31 ++ + +++ +++ * VdW HB2 PHE 92 - CD2 LEU 365 2.60 8 0.12 0.32 + ++ + * ++ + VdW HZ PHE 92 - HG23 VAL 119 2.00 7 0.08 0.27 + + + ++ * + VdW CD2 LEU 96 - CD1 TYR 352 3.20 6 0.10 0.25 + + * + + + VdW CD2 LEU 96 - CE1 TYR 352 3.20 8 0.10 0.28 + + *++++ + VdW CD2 LEU 96 - CE2 TYR 352 3.20 9 0.12 0.27 + + ++++ *+ + VdW O LEU 96 - NE2 GLN 101 2.75 19 0.29 0.35 +++++* +++++++++++++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 17 0.22 0.38 ++ ++ * ++++++++++++ VdW HD3 PRO 97 - HD1 TYR 352 2.00 9 0.13 0.31 +* + +++++ + VdW HD3 PRO 97 - HD2 TYR 352 2.00 8 0.12 0.29 + * ++++ ++ VdW CG2 ILE 100 - C ILE 100 2.90 18 0.21 0.24 ++ +++ +++++*+++++++ VdW CG2 ILE 100 - HG11 VAL 119 2.60 6 0.07 0.28 +* + + + + VdW HG13 ILE 100 - CD1 LEU 122 2.60 6 0.12 0.27 + + + + +* VdW O GLN 101 - HG11 VAL 104 2.30 7 0.11 0.39 + + + + ++ * VdW O GLN 101 - HG12 VAL 104 2.30 7 0.13 0.36 +++ + + *+ VdW H VAL 104 - CG1 VAL 104 2.55 14 0.18 0.29 +++ + ++++ +++++* VdW CG2 VAL 104 - C VAL 104 2.90 14 0.18 0.26 +++ + ++++ +++++* VdW HB2 PRO 112 - CD2 LEU 362 2.60 11 0.17 0.37 + + + + ++++++* VdW H GLU 114 - CG GLU 114 2.55 10 0.20 0.29 ++ + * +++++ + VdW O GLU 114 - CD2 LEU 118 2.90 11 0.21 0.29 + + + +++ ++ *++ VdW CB ALA 116 - HB2 PRO 358 2.60 13 0.29 0.46 ++ + + * +++++ +++ VdW O ALA 116 - HG3 PRO 358 2.30 7 0.16 0.28 * + + + + + + VdW H LEU 118 - CG LEU 118 2.55 20 0.30 0.34 ++++++++++++*+++++++ VdW H LEU 118 - HG LEU 118 1.95 20 0.27 0.33 +++++*++++++++++++++ VdW HG23 VAL 119 - HB3 PRO 358 2.00 7 0.11 0.33 + + + +* + + VdW O LEU 122 - C ARG 123 2.80 9 0.17 0.43 + +++ + +*+ + VdW O LEU 122 - N ARG 124 2.75 8 0.20 0.36 * + + + +++ + VdW HA2 GLY 339 - CD PRO 340 2.60 19 0.21 0.24 ++++++*++++++ ++++++ VdW HB2 PRO 340 - HD1 TRP 372 2.00 15 0.22 0.28 ++++ + +++*++ + + ++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 13 0.23 0.33 + ++ + + + ++ ++*++ VdW HZ PHE 350 - HA ALA 361 2.00 11 0.20 0.28 + + +* +++++++ VdW HE1 TYR 352 - CA PRO 358 2.60 6 0.11 0.30 + + + + + * VdW HE1 TYR 352 - HA PRO 358 2.00 9 0.13 0.34 + + + + *+ ++ + VdW HE2 TYR 352 - CA PRO 358 2.60 9 0.12 0.29 ++ + ++++* + VdW HE2 TYR 352 - HA PRO 358 2.00 9 0.15 0.47 + + + +++*+ + VdW N GLU 353 - HG2 GLU 353 2.45 8 0.18 0.26 + ++ *+ + + + VdW HG3 GLU 353 - CG2 THR 356 2.60 11 0.20 0.23 +++ ++ *+ ++ ++ VdW OG1 THR 356 - HG2 GLU 360 2.30 12 0.25 0.40 + ++ + ++++* +++ VdW CG2 THR 356 - HG2 GLU 360 2.60 18 0.35 0.42 ++++++*++++ +++++++ VdW HG3 GLU 360 - C GLU 360 2.50 20 0.32 0.37 +++++++++++++++++*++ VdW CA LEU 362 - CD1 LEU 362 3.00 9 0.10 0.26 +++ +* +++ + VdW HA LEU 362 - CD1 LEU 362 2.60 9 0.12 0.29 +++ ++ ++* + VdW N GLN 364 - CG GLN 364 2.85 10 0.18 0.21 ++ + ++ +++ *+ VdW N GLN 364 - HG2 GLN 364 2.45 10 0.20 0.44 ++ + +++ +++* VdW H GLN 364 - CG GLN 364 2.55 17 0.26 0.33 +*+ +++++++ +++++++ VdW H GLN 364 - HG2 GLN 364 1.95 12 0.25 0.50 ++ ++*+ ++++ ++ VdW O GLN 364 - N LEU 368 2.75 10 0.21 0.31 + +++ * ++++ + VdW O GLN 364 - H LEU 368 1.80 6 0.15 0.32 ++ * + + + VdW O GLN 364 - HG LEU 368 2.30 6 0.08 0.24 + + + ++* VdW O LEU 365 - SG CYS 369 3.10 15 0.26 0.42 + +++++++ +* +++++ VdW CG GLU 367 - C GLU 367 2.90 20 0.23 0.24 +++++++++++++++*++++ VdW CA LEU 368 - CD1 LEU 368 3.00 12 0.16 0.27 + ++ + +*+ +++++ VdW HA LEU 368 - CD1 LEU 368 2.60 12 0.26 0.47 + ++ + *++ +++++ VdW HA CYS 369 - HE3 TRP 372 2.00 11 0.22 0.42 ++++ +++ + + +* VdW C ARG 370 - N TRP 372 2.95 6 0.19 0.26 + +* + + + VdW C ARG 370 - H TRP 372 2.45 14 0.23 0.39 ++++ + +*+ +++++ + VdW O ARG 370 - N ARG 374 2.75 20 0.38 0.55 +++++++++++++*++++++ VdW O ARG 370 - H ARG 374 1.80 20 0.33 0.39 +*++++++++++++++++++ VdW CG TRP 372 - C TRP 372 2.90 19 0.23 0.25 +++++++++++ +*++++++ VdW HE1 TRP 372 - HB3 LEU 386 1.95 11 0.22 0.39 +* ++++ + + + ++ VdW O LEU 373 - C ARG 374 2.80 20 0.33 0.46 +++++++++++++*++++++ VdW CB ARG 374 - CG2 VAL 377 3.20 12 0.15 0.25 +++ *++++ +++ + VdW HB3 PRO 375 - SD MET 383 2.80 20 0.43 0.56 ++++*+++++++++++++++ VdW O LYS 380 - CD2 LEU 384 2.90 10 0.19 0.39 ++ + + + + ++*+ VdW HA GLU 381 - CD2 LEU 384 2.60 6 0.10 0.48 + + + +*+ VdW O GLN 382 - HG LEU 386 2.30 9 0.16 0.46 ++ +++ + + * + VdW N LEU 384 - CD1 LEU 384 3.05 6 0.15 0.58 + + + *++ VdW N LEU 384 - CD2 LEU 384 3.05 10 0.18 0.41 ++ * +++++ + + VdW H LEU 384 - CG LEU 384 2.55 15 0.25 0.35 + ++ + +++++++ +*++ VdW H LEU 384 - CD1 LEU 384 2.55 6 0.16 0.64 + + + ++* VdW H LEU 384 - CD2 LEU 384 2.55 16 0.23 0.30 ++*+++ +++ ++++ ++ + VdW CG1 VAL 388 - C VAL 388 2.90 13 0.17 0.24 ++++++ + *+++ + + VdW HG13 VAL 388 - C VAL 388 2.50 6 0.10 0.40 + + +* ++ VdW HB2 LEU 389 - HD3 PRO 412 2.00 13 0.28 0.46 +++ ++*+++ + + ++ VdW HA GLN 391 - CD GLN 391 2.50 7 0.15 0.29 + + + + *++ VdW O LEU 396 - NE2 GLN 401 2.75 20 0.29 0.32 +++++*++++++++++++++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 17 0.21 0.25 ++++++++++++ *+ +++ VdW CG2 ILE 400 - C ILE 400 2.90 18 0.22 0.24 *+++++++++++ +++ +++ VdW HG13 ILE 400 - CD1 LEU 422 2.60 7 0.14 0.24 +++ + + * + VdW O GLN 401 - HG11 VAL 404 2.30 7 0.11 0.37 +++ + ++ * VdW O GLN 401 - HG12 VAL 404 2.30 8 0.14 0.37 ++++ + * ++ VdW H VAL 404 - CG1 VAL 404 2.55 14 0.20 0.27 ++++ ++ ++* ++++ + VdW CG2 VAL 404 - C VAL 404 2.90 15 0.20 0.24 ++++ ++ ++++ ++++ * VdW H GLU 414 - CG GLU 414 2.55 14 0.23 0.30 ++ ++ +++*+++++ + VdW O GLU 414 - CD2 LEU 418 2.90 14 0.23 0.32 + +++++++++*+ ++ VdW O ALA 416 - HB2 ASP 420 2.30 9 0.18 0.32 + + ++ + ++ * + VdW H LEU 418 - CG LEU 418 2.55 20 0.30 0.34 ++++++++++++*+++++++ VdW H LEU 418 - HG LEU 418 1.95 20 0.28 0.33 ++++++++++++++*+++++ VdW O LEU 422 - N ARG 424 2.75 7 0.17 0.33 +++ +*+ + Angle PSI ARG 44 -54.00 -34.00 10 4.59 7.59 + ++ + +* ++ ++ Angle PSI CYS 49 -51.00 -5.00 16 5.81 8.63 ++*+ ++++++ ++++++ Angle PSI THR 56 -15.00 15.00 7 4.42 6.53 * +++ ++ + Angle PSI PRO 58 -41.00 -31.00 19 8.86 12.65 +++++++++ ++++*+++++ Angle PHI GLN 59 -77.00 -57.00 17 9.70 15.58 + +++++++ +++*++++ + Angle PHI GLN 64 -78.00 -58.00 7 3.98 8.34 +* + + + + + Angle PSI LEU 65 -52.00 -32.00 18 6.91 10.44 ++++*+++++++++++++ Angle PHI ARG 66 -76.00 -56.00 19 6.71 9.04 ++++*+++++ +++++++++ Angle PHI GLU 67 -79.00 -59.00 7 4.43 8.94 ++ + + *++ Angle PHI GLN 71 -76.00 -56.00 11 4.69 7.80 ++ + +++ +++ * + Angle PHI GLU 76 -78.00 -58.00 15 6.33 14.78 ++ + + ++*++ ++++++ Angle PSI VAL 77 -29.00 -5.00 20 10.36 14.80 ++++++++++*+++++++++ Angle PSI GLU 81 -50.00 -30.00 14 6.84 14.63 + + +*++ ++ ++++++ Angle PSI GLN 82 -48.00 -28.00 12 5.43 12.08 + ++ ++++*+ + ++ Angle PHI MET 83 -75.00 -55.00 12 8.17 17.34 + +++ +*+ +++++ Angle PHI GLU 85 -75.00 -55.00 12 6.35 12.88 + +++ ++ + * + +++ Angle PSI GLU 85 -54.00 -34.00 20 12.94 19.13 +++++++++++++++++*++ Angle PHI LEU 86 -74.00 -54.00 8 4.92 17.45 + + * +++++ Angle PSI LEU 87 -51.00 -31.00 12 6.63 19.29 +++ ++++ ++* + + Angle PHI GLN 91 -74.00 -54.00 15 7.38 11.53 ++++*+++ +++ +++ + Angle PSI PRO 97 132.20 154.90 20 21.18 25.56 ++++++*+++++++++++++ Angle PSI PRO 98 -46.00 -28.00 20 14.31 17.31 +++++*++++++++++++++ Angle PHI GLU 99 -76.00 -56.00 20 17.58 20.52 +++++*++++++++++++++ Angle PHI ILE 100 -73.00 -53.00 11 5.03 6.80 ++++ + ++ + + + * Angle PSI ALA 102 -51.00 -31.00 19 6.53 8.52 +++++ +++++++++++++* Angle PHI ARG 103 -73.00 -53.00 19 6.23 12.54 +++++*+++++++++++ ++ Angle PHI ASP 120 -69.00 -49.00 9 3.65 8.02 + + + +* +++ + Angle PSI ASP 120 -52.00 -32.00 12 5.22 6.92 ++ * + +++ ++ +++ Angle PHI GLY 121 -84.00 -58.00 14 6.31 8.66 + ++ +++++++ * +++ Angle PSI LEU 122 -55.00 3.00 10 8.52 17.47 + +*+ + +++ ++ Angle PSI ARG 344 -54.00 -34.00 12 5.01 8.43 ++ ++++++ *++ + Angle PSI CYS 349 -51.00 -5.00 17 6.04 9.37 ++ ++++++ *++++++++ Angle PSI THR 356 -15.00 15.00 7 4.19 6.26 + +++ * ++ Angle PSI PRO 358 -41.00 -31.00 18 8.27 10.91 ++*++++++++++ ++ +++ Angle PHI GLN 359 -77.00 -57.00 19 8.76 13.77 ++*+++++++++++ +++++ Angle PSI LEU 365 -52.00 -32.00 20 7.61 11.40 ++++++++++++++++*+++ Angle PHI ARG 366 -76.00 -56.00 16 6.76 9.20 + ++++++++++ ++*++ Angle PHI GLU 367 -79.00 -59.00 8 4.69 9.22 + + +++ *++ Angle PHI GLN 371 -76.00 -56.00 10 4.78 8.25 ++ + + + + + *++ Angle PHI GLU 376 -78.00 -58.00 11 5.69 11.39 ++++ + +++*++ Angle PSI VAL 377 -29.00 -5.00 19 8.87 11.19 ++*++++++ ++++++++++ Angle PSI LYS 380 -48.00 -28.00 6 3.21 11.29 + ++ + * + Angle PSI GLU 381 -50.00 -30.00 12 6.11 13.62 + + ++++ ++++ +* Angle PSI GLN 382 -48.00 -28.00 14 5.41 10.69 ++ ++*+ ++++ + +++ Angle PHI MET 383 -75.00 -55.00 15 8.16 16.34 ++ +*++ + ++++++++ Angle PSI LEU 384 -52.00 -32.00 6 3.13 13.53 + + + + * + Angle PHI GLU 385 -75.00 -55.00 12 6.71 13.47 + + +*+++ ++++ + Angle PSI GLU 385 -54.00 -34.00 20 11.67 18.18 ++++++++++++++*+++++ Angle PHI LEU 386 -74.00 -54.00 6 4.41 18.28 + * ++ + + Angle PSI LEU 387 -51.00 -31.00 11 5.75 11.72 + + + ++ ++*+++ Angle PHI VAL 388 -78.00 -58.00 8 3.85 9.33 + + + + + + + * Angle PHI GLN 391 -74.00 -54.00 19 8.12 12.17 ++++*++ ++++++++++++ Angle PSI PRO 397 132.20 154.90 20 20.87 21.92 ++++++++++++++*+++++ Angle PSI PRO 398 -46.00 -28.00 20 14.52 17.07 *+++++++++++++++++++ Angle PHI GLU 399 -76.00 -56.00 20 17.80 20.00 *+++++++++++++++++++ Angle PHI ILE 400 -73.00 -53.00 11 5.26 6.78 ++ + + ++++ +* + Angle PSI ALA 402 -51.00 -31.00 19 6.43 9.07 ++++++++++++++++++* Angle PHI ARG 403 -73.00 -53.00 20 6.22 7.30 *+++++++++++++++++++ Angle PHI ASP 420 -69.00 -49.00 10 4.22 9.24 ++ + +++ ++* + Angle PSI ASP 420 -52.00 -32.00 13 5.13 7.03 + +++++++*+ +++ Angle PHI GLY 421 -84.00 -58.00 17 7.93 12.98 *++++ +++++++ ++ +++ Angle PSI LEU 422 -55.00 3.00 6 5.27 16.42 + *++ + + 216 violated distance constraints. 62 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.44 +/- 0.15 A (0.23..0.77 A; 20 structures) Average heavy atom RMSD to mean : 0.76 +/- 0.11 A (0.57..0.99 A; 20 structures)