NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 P 4.5131 0.0000 0.0000 61.7588 33.2172 177.9071 30 E 4.3069 8.3838 111.0876 57.3092 30.0888 181.1832 31 T 4.6404 8.4767 113.1343 62.4323 71.3349 179.2051 32 L 4.5419 7.4218 119.2714 55.0079 42.8642 176.1226 33 L 4.7354 8.5936 123.6434 53.2764 45.4432 174.9673 34 F 4.9123 9.3010 125.1079 55.8988 41.2016 174.8475 35 V 4.0018 8.5306 125.5270 61.2199 32.8362 174.4813 36 S 5.0428 8.3501 124.8542 57.4664 63.5666 173.0650 37 T 4.8489 8.4616 117.2837 59.4510 71.3041 175.2593 38 L 3.8082 8.7040 123.0093 57.5604 41.8002 178.7402 39 D 5.3673 6.9347 115.3303 52.2524 39.8240 177.2009 40 G 4.2720 8.0953 108.5509 46.5971 0.0000 173.7395 41 S 4.6887 8.5967 117.5788 58.3652 63.9546 172.8519 42 L 5.0655 9.2618 128.2484 53.6394 44.2140 174.5494 43 H 5.1112 8.8340 123.2343 53.9355 31.7141 173.3922 44 A 3.5603 8.3014 126.2437 50.5343 18.4485 175.6747 45 V 4.4777 8.4826 124.2244 62.0437 34.6723 175.6992 46 S 4.4316 8.5590 127.9458 59.3593 62.4796 175.2647 47 K 4.1120 8.8470 132.7783 57.3712 31.3765 175.1820 48 R 4.3549 8.0808 117.9671 59.9903 30.6825 184.2446 49 T 3.7599 7.4532 110.1935 64.2728 68.7259 178.0569 50 G 2.0611 6.9838 107.5252 43.9201 0.0000 173.8577 51 S 4.4045 7.2466 115.7820 57.5883 64.6641 173.4830 52 I 4.1167 8.3094 126.3236 62.4252 36.9890 176.3325 53 K 4.4913 9.4086 132.3830 56.5083 32.7243 173.9293 54 W 5.3720 7.2757 117.1578 54.9205 31.7719 173.3889 55 T 5.0611 8.8386 118.7260 61.7945 70.5097 173.1819 56 L 4.6515 9.3479 131.5135 53.9932 44.2875 175.8353 57 K 4.5789 8.6966 130.7015 54.0371 33.1093 171.1447 58 E 4.8397 8.4126 130.4032 54.3869 33.8798 175.2675 59 D 4.3487 8.3391 122.1429 54.0916 41.1450 173.9315 60 P 4.0905 0.0000 0.0000 62.7619 32.1679 177.1793 61 V 3.6728 7.6176 123.1832 65.2100 32.4150 175.6184 62 L 5.2589 7.3540 116.3029 52.6817 45.7140 177.2940 63 Q 4.6480 7.9993 120.0618 54.1150 29.3719 175.7544 64 V 3.4691 8.3278 121.9616 62.9869 32.2086 175.6630 65 P 4.5318 0.0000 0.0000 61.6275 30.4181 171.6090 *71 P 4.3710 0.0000 0.0000 62.7287 31.8970 176.4026 72 A 4.5132 7.7113 120.7023 51.4158 26.3000 175.6998 73 F 4.5791 7.4019 113.3786 54.8963 41.8818 175.3086 74 L 4.6116 9.3637 125.2918 52.8398 42.3438 174.7303 75 P 4.9684 0.0000 0.0000 61.9143 33.0789 175.1446 76 D 5.2351 8.2935 119.1950 52.0613 42.8819 174.2114 77 P 4.2109 0.0000 0.0000 65.8258 31.5215 177.6682 78 N 4.9459 9.1728 114.3184 50.8687 37.4315 180.0177 79 D 5.8500 8.0364 131.8314 55.2766 42.3289 177.6579 80 G 3.2179 6.7349 106.3739 46.6665 0.0000 174.1513 81 S 4.3335 8.6177 116.5410 59.0786 64.3546 173.5325 82 L 5.0153 7.9643 120.3533 53.3445 45.4395 175.0975 83 Y 5.3199 8.8663 118.6450 56.7664 42.9548 174.2475 84 T 4.7721 9.0220 110.3144 60.0601 72.7185 172.9755 85 L 5.7445 8.0920 124.8864 53.8357 42.8150 177.4517 *91 E 4.2374 8.6134 120.1996 55.8342 31.5454 172.9626 92 G 4.1824 7.3710 127.0700 45.2043 0.0000 173.1487 93 L 4.9941 8.5192 131.8826 53.4497 42.9168 174.7422 94 T 4.8057 8.8747 116.6634 59.6143 72.5965 172.7044 95 K 4.3215 8.3546 123.7951 54.4030 33.5331 176.1542 96 L 4.1507 7.9099 128.1976 54.5310 42.1354 174.9291 97 P 4.6693 0.0000 0.0000 62.4077 32.2737 175.5601 98 F 5.2249 7.3827 112.9047 53.9435 40.3544 176.3441 99 T 4.1762 8.2685 114.0661 60.9632 71.9291 175.2613 100 I 3.7921 7.6473 120.2217 64.3327 36.9146 176.5440 101 P 3.9812 0.0000 0.0000 65.6045 30.9238 178.1078 102 E 4.2162 7.7879 117.3502 59.7662 29.2527 179.4495 103 L 4.0026 7.7298 117.9715 57.9363 42.2260 179.0579 104 V 3.8435 7.7991 118.2738 65.7024 32.4607 177.3478 105 Q 4.6482 9.0016 117.6392 54.0846 26.1415 175.5697 106 A 4.5623 6.9951 117.4953 52.7283 21.3089 177.1263 107 S 4.8041 7.9211 114.6247 56.7188 66.4042 175.0050 108 P 4.8540 0.0000 0.0000 64.5457 31.6251 175.6374 109 C 4.6854 8.1117 119.3216 59.1503 32.3993 174.0044 110 R 4.4759 7.9846 113.4664 57.3839 32.4890 172.3222 *116 L 4.4307 8.3230 122.6837 54.2985 43.7184 175.1322 117 Y 5.6247 8.6031 121.6369 55.8000 40.6642 174.5975 118 M 4.7778 8.7764 124.1055 53.7137 34.1798 175.6036 119 G 4.2791 8.4517 110.7201 44.8743 0.0000 172.0164 120 K 4.4406 8.1753 117.7106 55.3841 36.0571 174.8872 121 K 4.7791 7.9257 126.1383 57.3362 32.6200 175.4205 122 Q 4.2445 7.6605 124.0204 55.2530 30.0799 176.3889 123 D 5.2291 8.4922 122.1009 53.2883 44.5409 176.0866 124 I 4.6783 8.0112 119.1657 58.6706 40.2024 175.0361 125 W 4.8495 8.5953 122.2665 55.1503 32.6028 174.4534 126 Y 5.1387 10.0240 121.1745 56.3761 40.3139 174.7143 127 V 4.8558 8.7191 124.3474 61.0662 33.6079 175.0459 128 I 4.3227 8.2371 123.8500 60.3996 40.8466 174.4489 129 D 4.7545 8.4440 126.8010 52.1677 40.4105 172.9720 130 L 3.6963 8.4224 127.4340 56.8386 42.0507 178.3281 *153 L 4.0527 7.7607 119.6075 54.3775 42.5455 179.2062 154 L 4.7496 8.6329 125.5934 52.5643 44.0898 172.6524 155 Y 4.9648 8.8217 123.8447 56.6210 37.6967 174.4538 156 L 4.7741 9.2261 126.3629 53.1275 43.4254 174.1905 157 G 3.3214 8.5324 113.0156 43.7788 0.0000 172.7721 158 R 4.8904 7.9162 123.2057 54.9134 34.2143 172.1751 159 T 4.5067 8.2576 115.7201 62.0464 71.8899 173.0978 160 E 3.1678 8.1957 127.8723 54.8040 30.5921 174.1284 161 Y 4.5078 8.0064 125.7335 57.0399 40.0002 175.0239 162 T 5.0508 8.3912 121.1651 61.6892 71.7814 173.2116 163 I 4.7732 7.8568 125.2297 58.9294 41.7861 174.6902 164 T 4.4991 7.9153 118.4263 62.8777 72.5869 173.1572 165 M 4.3109 8.4066 126.7884 54.9081 34.1488 174.6338 166 Y 4.4522 7.9028 121.7078 57.6175 41.4571 173.3884 167 D 5.0051 7.7021 128.5549 53.0580 41.2143 175.5120 168 T 4.3426 9.1304 119.5663 63.3507 68.2807 172.3409 169 K 4.1429 7.0594 123.1297 58.7661 32.9914 185.0000 170 T 4.5099 7.4565 119.0143 60.5860 67.9506 179.0009 171 R 4.5233 8.1611 119.7952 58.5392 31.6115 172.5570 172 E 4.6654 7.6595 116.3931 55.0914 33.5606 179.1945 173 L 4.4265 8.3336 121.8498 54.4336 39.6355 178.5733 174 R 4.1886 8.4272 123.8418 58.0150 29.6405 174.8099 175 W 5.5640 7.6109 126.2250 56.1177 34.9317 172.4153 176 N 4.2400 6.3699 117.3024 52.9657 41.1149 172.8201 177 A 4.1441 7.3893 123.0018 51.9346 22.4882 176.0907 178 T 4.9372 8.1213 115.7276 62.6842 71.5054 170.5966 179 Y 5.5574 8.9436 126.3131 55.3641 39.9764 174.7955 180 F 4.9169 8.8658 125.4274 56.7270 40.6610 174.6975 181 D 4.2313 7.7404 114.3659 53.5835 44.3114 174.6984 182 Y 4.2328 8.8875 124.2296 57.8238 38.5873 175.6431 183 A 4.1929 8.9766 127.4882 51.9198 18.7808 176.5896 184 A 4.7648 8.2422 123.0706 50.4819 22.6400 175.9819 185 S 4.3470 8.9033 115.0952 57.9530 64.3387 174.0004 186 L 4.4761 8.6094 122.2370 54.6581 42.2873 174.9910 187 P 4.6662 0.0000 0.0000 62.0028 32.1913 175.2895 188 E 4.6449 8.7146 125.9783 54.6768 32.6065 176.5684 189 D 4.6323 8.7636 127.3639 54.4902 37.5144 172.3575 190 D 4.7541 8.2737 125.0761 52.0518 40.1900 178.7815 *191 V 3.8651 8.6600 125.7002 62.8826 31.6728 174.1760 192 D 4.5242 8.0840 115.2600 55.4110 40.0242 181.0955 193 Y 4.7322 8.3187 121.5366 57.8497 38.2837 175.1125 194 K 4.5562 8.2005 131.6805 55.4577 33.0242 173.0770 195 M 4.7009 6.9831 119.2316 54.3195 35.1659 175.3689 196 S 4.4174 7.6433 114.0286 56.9180 66.5268 172.2360 197 H 4.7782 8.4136 122.7631 53.7883 31.8268 172.5335 198 F 5.0943 8.5028 121.6093 55.6497 41.5664 174.8043 199 V 5.0873 9.0829 123.6536 61.0382 34.7293 174.3671 200 S 5.7426 8.4473 121.7098 56.9719 64.3444 173.5224 201 N 4.3194 8.6535 120.3396 53.0629 39.4077 175.0482 202 G 4.0215 8.7289 110.1389 46.3468 0.0000 172.7599 203 D 4.4746 7.5678 114.6105 53.3425 43.8292 175.0293 204 G 4.6383 8.2602 110.4397 46.0133 0.0000 172.4372 205 L 5.0258 7.9950 123.6146 54.2340 43.5086 175.7137 206 V 4.9354 9.4295 126.3084 61.2573 35.2206 174.2939 207 V 4.2784 9.0175 127.9689 61.1557 33.0840 173.4851 208 T 3.8761 7.9957 124.9554 62.3152 69.1187 174.4460 209 V 4.5155 8.1722 127.2962 60.6434 33.8674 174.9608 210 D 4.3732 7.7870 127.3171 50.9914 40.5679 177.2499 211 S 4.1802 8.9473 128.5382 61.9053 62.9325 172.3981 212 E 4.3281 7.6470 118.3618 56.5202 29.2821 179.7030 213 S 4.4123 7.1625 124.1478 56.3164 67.3818 177.8484 214 G 3.7485 6.5097 112.6237 46.9134 0.0000 172.9629 215 D 4.7086 7.6954 120.9094 52.1426 39.8813 180.4186 216 V 3.4902 8.2776 126.0245 62.9575 31.2585 175.6786 217 L 4.5628 8.3913 128.0627 56.5910 42.8142 176.9962 218 W 4.6825 7.9939 112.7554 55.8137 31.6078 173.6525 219 I 5.0648 8.7175 121.9335 59.9636 39.4402 174.9031 220 Q 4.5236 9.2547 123.8577 54.4917 33.8493 173.6756 221 N 4.9390 8.1922 119.3790 52.2236 41.0616 173.3709 222 Y 4.4943 9.4542 125.3103 56.9634 39.5459 176.7724 223 A 3.9951 9.0709 124.3343 55.3501 18.4696 177.7974 224 S 5.1022 7.7653 107.8778 55.2565 65.6557 171.5111 225 P 5.0097 0.0000 0.0000 62.6004 31.9226 175.5862 226 V 3.9051 8.5568 124.1127 63.3166 31.4921 175.6846 227 V 4.3206 9.1077 121.4101 62.6570 33.5375 175.6998 228 A 4.3685 7.1985 119.2104 50.8408 22.7465 175.0340 229 F 5.1188 8.2247 117.0681 55.7942 42.6572 174.1396 230 Y 5.4253 9.1721 122.4398 56.9341 41.9176 175.3153 231 V 4.7501 9.1374 125.7001 59.5561 34.5835 174.9836 *232 W 4.8667 8.8196 130.7378 55.0652 26.2491 172.9076 233 Q 4.2699 7.9439 122.9884 56.1040 29.5212 178.1757 234 R 3.6764 9.4807 120.1511 58.5810 26.5594 177.8852 235 E 3.8021 8.7347 112.3866 54.7776 26.9920 174.4578 236 G 4.2082 8.1898 107.9134 42.4208 0.0000 170.7262 237 L 4.4737 8.4622 125.3399 55.4693 43.1569 177.0232 238 R 5.3330 8.8853 122.8796 53.4920 32.8169 172.8766 239 K 4.6926 8.9172 127.3204 55.7246 33.4070 175.6438 240 V 4.5028 8.5782 128.6126 61.1278 32.5011 175.3629 241 M 4.1546 8.7939 128.3213 56.0392 32.7343 174.3011 242 H 5.0349 8.3894 119.2902 54.2240 32.6796 171.7218 243 I 4.5302 8.2733 117.9670 59.6809 40.2326 175.0686 244 N 5.4241 8.8259 124.1188 52.0617 39.7934 174.2765 245 V 5.0391 8.9857 123.8084 59.3466 35.2370 175.0753 246 A 4.3374 8.6699 124.0422 51.8561 19.2727 178.6458 247 V 3.6637 8.8161 121.1754 67.2050 31.3857 177.6313 248 E 3.8800 8.5248 116.1413 60.5975 29.0716 179.0981 249 T 3.5171 7.8534 114.4371 67.0383 68.7783 176.3431 250 L 4.0312 8.9234 123.1151 57.9261 42.0224 179.3793 251 R 3.9278 8.6279 118.5628 59.4843 30.2925 178.0121 252 Y 4.1281 8.7509 119.8452 60.8363 38.5383 178.5493 253 L 3.6418 8.2796 119.9137 58.1279 41.6468 179.3789 254 T 4.1305 8.0025 114.3961 67.2174 68.5546 175.5621 255 F 4.2475 8.9448 122.9687 61.3022 39.2773 176.6183 256 M 3.2660 7.7162 117.1501 58.4826 31.9707 178.6641 257 S 4.1362 8.2158 113.4418 61.6785 62.3635 176.6861 258 G 3.4024 8.1326 110.5732 47.9238 0.0000 176.2375 259 E 3.8159 7.5183 120.0672 61.0824 29.8604 181.8367 260 V 3.8150 8.1977 119.8790 65.6802 31.4359 178.4656 261 G 3.9789 8.2604 108.0807 48.4933 0.0000 176.6636 262 R 4.0449 8.2616 124.8868 62.0203 29.6814 181.2618 263 I 4.0492 7.7349 119.8757 64.6694 35.3862 180.0054 264 T 4.3165 7.7030 117.0606 66.3198 69.1961 177.1237 265 K 3.8537 8.9089 121.5229 55.6869 29.1519 178.9137 *266 W 4.9968 7.8157 116.4273 55.7484 32.1309 176.4137 267 K 4.5325 7.1913 121.5373 57.2491 32.5970 173.6753 268 Y 4.8009 7.5206 120.4514 56.1161 38.1375 173.2630 269 P 4.7116 0.0000 0.0000 62.7075 32.6611 175.2392 270 F 4.2363 8.1920 117.4578 56.9827 43.2390 171.7654 271 P 4.4744 0.0000 0.0000 63.5503 32.0485 176.7195 272 K 4.7598 8.2477 123.4652 55.1996 34.9220 176.9761 273 E 4.3815 8.9425 121.5777 59.9773 29.4933 179.9287 274 T 4.0086 8.0312 111.6075 65.3717 69.2694 177.2044 275 E 3.9999 8.2030 120.9578 61.1573 29.8538 179.7519 276 A 4.2990 8.8824 124.9857 55.4008 18.1753 180.0193 277 K 4.0539 8.5517 126.4219 59.6322 32.0332 181.8307 278 S 4.7158 7.7143 118.4707 64.3070 62.8191 182.4370 279 K 4.4367 8.4888 126.2329 60.2164 32.0320 179.9118 280 L 4.5721 7.9545 117.3201 55.0898 43.0638 175.6351 281 T 4.6078 8.2857 116.3019 62.0877 72.5261 171.9046 282 P 4.5635 0.0000 0.0000 64.4837 31.8872 176.4601 283 T 4.8744 9.5529 117.6797 59.6183 73.5914 169.3824 284 L 4.8293 8.9670 123.7536 53.9228 43.9926 174.7970 285 Y 4.3950 8.3460 127.8310 57.2713 40.4026 174.3651 286 V 4.0892 7.8391 126.1299 61.2287 33.8647 174.7148 287 G 4.3580 7.7755 117.3436 44.3162 0.0000 171.2897 288 K 4.9819 8.4815 119.1473 55.0700 35.4100 176.3532 289 Y 4.3486 9.3615 126.8976 57.3923 41.0616 175.2513 290 S 3.2733 9.2866 125.2452 59.5075 61.4108 171.3667 291 T 3.1992 8.5821 105.9002 61.2320 66.1457 173.5184 292 S 4.4282 7.9425 114.9917 58.6205 66.1921 175.7067 293 L 4.9451 8.8137 125.9660 53.8222 43.1305 176.1130 294 Y 4.7571 7.6086 113.2698 56.8235 40.3754 173.9088 295 A 4.9864 8.5979 125.4300 50.4531 20.9665 175.7469 296 S 5.8492 8.6308 122.6388 57.3783 64.4978 174.1955 297 P 4.5129 0.0000 0.0000 64.0207 31.6064 175.1587 298 S 4.8698 8.9286 113.5188 58.1649 66.5818 173.4475 299 M 5.2995 8.9913 124.1054 53.7566 34.8267 175.5465 300 V 4.9457 8.5908 120.5694 60.5178 35.4299 174.7106 301 H 5.2484 8.6849 121.1764 54.2705 31.3240 174.5794 302 E 3.7684 8.5589 114.0322 57.9251 29.5856 172.9825 303 G 3.7077 8.7453 112.3250 45.8945 0.0000 173.3441 304 V 4.2005 7.5217 117.7762 59.8615 33.9444 174.7142 305 A 3.9335 8.7080 130.0843 52.8353 18.4789 177.2269 306 V 4.3017 7.9436 115.7789 58.8149 33.8721 176.5320 307 V 3.8440 7.5885 127.0336 63.0075 30.6473 177.8627 *358 Y 4.5606 8.6070 111.7363 56.1511 38.8115 174.8037 359 W 4.3743 8.2684 115.7003 58.5611 28.2604 177.1410 360 L 3.4025 6.9562 121.1614 57.6902 41.3049 178.6907 361 L 4.1505 7.6978 118.1947 56.3329 41.2736 180.3814 362 I 3.7505 7.3621 118.0542 62.6292 37.9578 174.6765 363 G 3.7413 7.7292 107.9423 44.4545 0.0000 172.7788 364 H 5.0335 8.7417 116.3991 55.7947 31.2537 173.8159 365 H 4.7280 8.3718 116.9535 55.3237 33.6299 173.9780 366 E 4.4464 8.8994 121.1990 56.9831 30.5328 178.1823 367 T 3.8479 8.6912 117.2325 60.5740 68.9439 170.4573 368 P 4.4191 0.0000 0.0000 62.1360 31.3879 176.2676 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 29 P 0.00 4.51 0.00 2.01 2.12 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.59 0.00 30 E 8.38 4.31 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 31 T 8.48 4.64 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 L 7.42 4.54 0.00 1.42 0.84 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.59 4.74 0.00 1.68 1.56 1.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 F 9.30 4.91 0.00 3.30 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.53 4.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.81 0.00 0.00 36 S 8.35 5.04 0.00 4.11 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.46 4.85 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 L 8.70 3.81 0.00 1.80 1.83 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 D 6.93 5.37 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.60 4.69 0.00 3.79 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.26 5.07 0.00 1.83 1.58 0.67 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.83 5.11 0.00 2.74 2.90 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.30 3.56 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.48 4.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.86 0.00 0.00 46 S 8.56 4.43 0.00 3.47 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.85 4.11 0.00 1.55 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.87 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 160 E 8.20 3.17 0.00 1.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 161 Y 8.01 4.51 0.00 3.20 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.39 5.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 163 I 7.86 4.77 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 0.76 0.00 0.00 164 T 7.92 4.50 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 165 M 8.41 4.31 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 166 Y 7.90 4.45 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.70 5.01 0.00 2.46 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 176 N 6.37 4.24 0.00 2.51 2.33 0.00 0.00 6.73 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.39 4.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.12 4.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 179 Y 8.94 5.56 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 8.87 4.92 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 7.74 4.23 0.00 1.99 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.89 4.23 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.98 4.19 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.24 4.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 S 8.90 4.35 0.00 3.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.61 4.48 0.00 1.56 1.69 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 187 P 0.00 4.67 0.00 2.10 2.21 0.00 3.35 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 188 E 8.71 4.64 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 189 D 8.76 4.63 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.27 4.75 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *191 V 8.66 3.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 192 D 8.08 4.52 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 8.32 4.73 0.00 2.78 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 8.20 4.56 0.00 1.48 1.74 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.02 7.81 195 M 6.98 4.70 0.00 1.23 1.17 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 196 S 7.64 4.42 0.00 3.77 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 H 8.41 4.78 0.00 2.50 2.51 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.50 5.09 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 V 9.08 5.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.18 0.00 0.00 200 S 8.45 5.74 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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250 L 8.92 4.03 0.00 1.80 1.72 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 251 R 8.63 3.93 0.00 2.06 1.98 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 252 Y 8.75 4.13 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 L 8.28 3.64 0.00 1.94 1.28 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 254 T 8.00 4.13 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 255 F 8.94 4.25 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 M 7.72 3.27 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 257 S 8.22 4.14 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 G 8.13 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 E 7.52 3.82 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 260 V 8.20 3.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.83 0.00 0.00 261 G 8.26 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 R 8.26 4.04 0.00 1.90 1.85 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 263 I 7.73 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.10 0.91 0.00 0.00 264 T 7.70 4.32 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 265 K 8.91 3.85 0.00 1.90 1.78 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.24 7.81 *266 W 7.82 5.00 0.00 2.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 267 K 7.19 4.53 0.00 1.93 1.98 0.00 1.44 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.10 7.81 268 Y 7.52 4.80 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 P 0.00 4.71 0.00 2.06 2.10 0.00 4.07 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 270 F 8.19 4.24 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 271 P 0.00 4.47 0.00 1.93 1.92 0.00 2.51 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 272 K 8.25 4.76 0.00 1.75 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.04 7.81 273 E 8.94 4.38 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 274 T 8.03 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 275 E 8.20 4.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.95 0.00 276 A 8.88 4.30 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 277 K 8.55 4.05 0.00 1.89 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.35 7.81 278 S 7.71 4.72 0.00 3.74 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 K 8.49 4.44 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.34 7.81 280 L 7.95 4.57 0.00 1.79 1.74 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 281 T 8.29 4.61 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 282 P 0.00 4.56 0.00 1.96 2.08 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 283 T 9.55 4.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 284 L 8.97 4.83 0.00 1.55 1.47 0.44 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 285 Y 8.35 4.39 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 V 7.84 4.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.62 0.00 0.00 287 G 7.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 K 8.48 4.98 0.00 1.73 1.70 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 289 Y 9.36 4.35 0.00 3.30 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 S 9.29 3.27 0.00 3.62 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 291 T 8.58 3.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 292 S 7.94 4.43 0.00 4.28 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 293 L 8.81 4.95 0.00 1.60 1.60 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 294 Y 7.61 4.76 0.00 3.27 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 295 A 8.60 4.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 296 S 8.63 5.85 0.00 4.23 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 297 P 0.00 4.51 0.00 2.18 2.17 0.00 4.13 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 298 S 8.93 4.87 0.00 3.94 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 299 M 8.99 5.30 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 300 V 8.59 4.95 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 301 H 8.68 5.25 0.00 3.18 3.32 0.00 5.58 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 302 E 8.56 3.77 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 303 G 8.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 304 V 7.52 4.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 305 A 8.71 3.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 306 V 7.94 4.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 307 V 7.59 3.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.76 0.00 0.00 *358 Y 8.61 4.56 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 359 W 8.27 4.37 0.00 3.57 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 L 6.96 3.40 0.00 1.08 1.29 0.48 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 361 L 7.70 4.15 0.00 1.65 1.57 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 362 I 7.36 3.75 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.88 0.00 0.00 363 G 7.73 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 H 8.74 5.03 0.00 3.30 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 365 H 8.37 4.73 0.00 3.11 3.08 0.00 5.61 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 366 E 8.90 4.45 0.00 1.75 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 367 T 8.69 3.85 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 368 P 0.00 4.42 0.00 2.16 2.31 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.