NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15A A 4.3755 8.1233 122.4679 51.8115 20.8489 175.2290 15B N 4.8230 8.6118 117.1764 51.9676 39.9051 173.3224 16 I 4.1967 9.3239 126.3451 60.1686 38.7445 174.7166 17 V 4.6756 8.1124 126.7101 60.3254 34.6780 175.4145 18 G 3.6462 8.5298 114.4972 47.2062 0.0000 174.3826 19 G 4.2023 9.6049 112.4268 46.0973 0.0000 173.1401 *29 I 4.0156 7.2796 111.8145 60.5496 39.2838 174.7105 30 E 4.8302 8.6323 123.8653 56.5523 30.5675 175.1026 31 Y 5.1864 8.4654 122.0900 55.7186 42.1128 173.7648 32 S 5.1655 9.0561 115.0014 56.7157 66.5627 172.6853 33 I 4.9781 8.1059 121.5614 60.2265 39.2614 175.6689 34 N 4.0789 9.7943 125.7962 54.9259 36.7699 173.8365 35 N 3.9635 8.0737 108.6716 54.3059 36.2442 176.3580 *39 A 4.7401 7.3698 117.6941 52.3356 19.8387 178.6882 40 S 4.3499 8.0288 108.3888 57.6226 65.1320 173.3167 41 L 5.1138 8.1671 120.2786 53.5565 44.9677 176.4721 42 C 4.8554 8.2390 117.8184 56.0564 45.3473 172.6651 43 S 5.4003 8.7652 115.3185 56.7378 65.6494 174.9374 44 V 2.8678 8.7017 123.5167 63.4617 32.1670 175.4465 45 G 3.8320 9.0014 115.3869 47.9315 0.0000 172.7453 46 F 5.1950 7.8258 115.2080 54.8360 44.5556 174.2211 47 S 4.8660 8.9352 118.9569 59.1020 64.1578 173.6621 48 V 5.0113 9.1368 116.6963 60.4332 36.8819 173.5412 48A T 5.0252 8.9376 111.1566 60.2756 72.6810 173.1656 48B R 4.3714 8.9074 123.1367 54.4015 30.8290 176.0421 48C G 3.7020 8.5778 116.7917 46.1170 0.0000 172.6837 48D A 4.2005 8.6248 125.5026 53.4298 19.0064 177.5372 49 T 4.3463 7.9811 114.4699 62.7524 69.6806 174.0629 50 K 4.7533 8.4263 124.8971 55.8137 34.6614 175.8583 51 G 4.5191 8.6037 109.2240 45.9710 0.0000 171.6425 52 F 5.6574 8.2505 113.3970 55.3998 41.8670 174.3823 53 V 4.8119 9.0258 113.9992 61.2908 33.5023 175.4606 54 T 5.3111 8.5876 116.5633 61.3965 71.3584 172.1481 55 A 4.4512 8.9148 123.9010 51.7435 19.2286 179.1514 56 G 3.8344 8.9836 111.2858 48.8190 0.0000 175.3167 57 H 3.6929 8.6567 114.3660 57.0146 28.4540 175.9371 58 C 4.2860 7.7748 117.9213 59.5519 40.2154 173.2810 59 G 3.0110 7.0144 105.1749 44.2484 0.0000 171.9644 58 T 4.0860 7.6048 112.9213 63.1519 76.4400 173.3810 59 V 3.1710 6.7144 115.5749 61.3484 35.2819 173.3644 64 N 4.2385 9.1177 121.1806 53.4228 37.4609 174.7027 65 A 4.2463 7.5047 120.4674 52.4196 19.9679 176.5872 65A T 4.8211 9.3162 117.7810 62.7022 70.2889 173.8187 66 A 5.5189 8.8535 128.2050 50.6267 21.6489 175.9281 67 R 5.6695 8.8231 119.4141 53.3908 34.9386 175.0609 *80 I 4.2023 8.2589 121.8078 62.1039 38.1997 176.2751 81 G 3.9782 9.6291 116.2043 46.7150 0.0000 174.0111 82 G 3.8626 8.3575 103.7408 45.2870 0.0000 173.2190 83 A 4.7143 7.5646 123.1925 49.6215 21.0513 176.6262 84 V 4.1408 8.3897 122.2641 63.2727 32.2466 176.0895 85 V 4.3424 9.1384 119.4178 60.3773 34.2337 175.7747 86 G 4.1042 7.0617 105.2054 46.2017 0.0000 170.8975 87 T 5.0956 7.1913 108.3404 59.7382 73.0924 173.3603 88 F 3.7902 9.2244 121.4670 57.8516 39.0907 176.1680 89 A 4.0192 7.8095 125.6387 53.3683 19.6983 176.6658 90 A 4.5937 6.9456 114.6593 51.6194 22.8853 175.3449 91 R 5.3498 8.2170 113.3811 56.4882 32.9918 173.9176 *93 V 4.6049 8.0117 119.0392 63.4245 32.9201 174.1281 94 F 5.6557 8.9292 125.1576 57.8832 42.4698 171.3934 *99A P 3.5093 0.0000 0.0000 63.1533 31.6216 174.3897 100 G 4.2178 8.5884 112.0640 44.8762 0.0000 173.9210 101 N 5.2455 7.5885 114.0859 50.6690 43.2393 173.1428 102 D 5.6653 9.4829 118.3477 53.1302 41.5188 174.2100 103 R 5.2201 9.2860 118.2093 54.7255 34.1606 174.3250 104 A 5.1317 8.5877 119.8070 51.3737 23.5175 175.1799 105 W 5.4372 8.1482 115.6613 54.7368 32.1817 174.2089 106 V 3.8527 7.7085 122.4662 60.7051 33.3244 174.3842 107 S 4.7658 7.9767 123.0892 57.4769 64.6463 173.7564 108 L 5.0527 8.7668 124.0251 53.1337 44.1455 176.2881 109 T 4.2443 8.4081 110.6769 60.8706 69.7619 175.7243 110 S 4.0422 8.7173 116.6062 61.5338 62.3020 175.4285 111 A 4.1682 7.8460 120.9033 54.1204 18.4650 177.4299 112 Q 4.4079 7.7299 114.6353 56.0948 29.9843 176.1662 113 T 4.5139 8.4486 118.7362 61.8753 70.5802 173.6921 114 L 4.6392 8.5070 127.0473 54.2690 42.6678 176.6039 115 L 4.9079 8.2656 122.0219 51.5104 45.6301 174.9300 116 P 4.7905 0.0000 0.0000 62.7835 30.6872 175.1519 117 R 5.2711 7.7289 117.2694 55.4695 35.7705 175.6659 118 V 4.8950 8.7960 120.4157 60.8464 34.5820 174.6849 119 A 4.2412 9.0212 130.6996 52.1533 19.1740 177.3271 120 N 4.3244 8.2522 120.4165 51.9661 40.3060 175.6113 120B G 3.7452 7.7422 116.8888 46.8171 0.0000 172.9074 120C S 4.1963 8.5649 120.5463 58.2689 63.2190 172.9902 120D S 4.4063 7.6359 116.8009 56.2087 64.6294 171.9759 121 F 5.2660 8.0340 117.1724 55.8940 43.0414 174.4000 122 V 4.4186 8.9390 121.7950 61.4390 33.6615 174.8358 123 T 4.6044 8.5430 124.9266 63.2870 69.4479 174.3676 124 V 4.0708 9.1057 127.5360 62.9933 32.1367 176.4080 125 R 4.4367 9.9817 127.2803 55.6029 32.3001 176.4208 126 G 3.9335 6.8175 104.6212 46.0557 0.0000 171.9448 127 S 4.9777 7.9857 110.5265 56.7298 63.3463 174.5229 128 T 3.9257 8.2375 117.8025 64.6024 68.8536 174.2619 129 E 4.2685 8.6572 127.1459 55.6565 30.3870 176.1512 130 A 4.2876 9.2094 129.5117 51.5868 19.7627 176.5380 131 A 4.5203 8.0832 122.7858 50.2761 20.7162 177.0657 132 V 3.9202 7.9634 119.1505 64.5993 31.8917 176.1244 133 G 3.9923 8.8732 115.1138 45.0740 0.0000 173.8277 134 A 4.3372 7.9030 121.3563 51.7832 19.5831 176.9387 135 A 4.8986 8.5337 121.8352 52.0078 19.8416 177.2808 136 V 4.6065 9.2092 119.0790 60.8828 35.4914 172.5080 137 C 5.2323 9.2081 118.9078 55.0763 44.9830 173.0939 138 R 4.5936 7.9556 115.8876 54.5681 32.3314 173.9628 139 S 4.9580 8.5214 114.4720 56.9037 65.9808 172.8849 140 G 4.1326 8.3284 111.6829 45.3906 0.0000 173.7421 141 R 4.1772 8.8216 116.7394 58.2078 29.9458 177.8939 142 T 4.2632 8.7728 116.2612 65.4514 69.3927 176.2948 143 T 4.3743 8.0552 108.6621 61.8941 70.6946 174.0080 *156 G 4.2792 7.4506 108.7628 46.8690 0.0000 172.2413 157 Y 5.0226 8.6871 127.2114 56.1539 40.0311 175.4722 158 Q 4.6632 8.4715 125.6809 54.2108 32.5797 174.0677 159 C 5.1305 8.1455 118.3408 55.4411 42.4602 174.1307 160 G 4.0919 8.4869 106.0130 46.9484 0.0000 172.3226 161 T 5.3468 9.1332 111.6812 59.8229 73.2422 173.5646 162 I 4.6655 8.5821 123.8059 61.5568 37.7401 176.7684 163 T 4.5213 8.8659 116.4553 62.1307 70.6300 174.0969 164 A 4.4804 7.3302 121.1645 51.2450 22.3307 175.0479 165 K 4.5703 8.1944 117.7832 54.2200 36.4664 175.0696 166 N 4.0140 8.3971 116.2717 54.6995 37.3856 174.0861 167 V 4.0651 8.2785 116.9905 62.2397 33.5626 174.5711 168 T 4.9237 8.3195 122.7833 62.1165 70.0008 173.7233 169 A 4.4058 8.7374 128.5853 50.3397 21.4504 175.8049 170 N 4.8526 8.4197 120.5861 52.1063 37.5490 174.6259 171 Y 4.6852 8.0539 119.7303 56.7690 39.0705 176.7108 172 A 3.9315 8.8383 124.5542 55.5609 18.5049 179.7260 *174 E 4.5103 7.5041 112.3670 55.0687 31.2835 175.6449 175 G 4.2671 7.1721 106.1026 43.1223 0.0000 171.9051 176 A 4.2658 7.8443 122.0821 51.7875 20.0454 176.7557 177 V 4.5500 8.4322 119.8466 61.2602 34.2577 175.1642 178 R 4.5531 9.0191 127.1661 54.7853 32.8520 176.2251 179 G 3.8205 8.5290 105.9326 46.4861 0.0000 173.9373 180 L 4.3020 7.9911 119.7342 54.4313 43.3639 175.9980 181 T 4.4742 7.6740 117.7680 61.8948 70.9380 173.3748 182 Q 4.8606 9.1389 127.6016 54.3672 31.6930 174.6003 183 G 4.7442 9.2283 112.9616 44.2327 0.0000 172.2510 184 N 5.1581 8.8609 113.5997 52.6565 38.5496 173.9393 *190 A 4.6824 8.2379 119.5332 52.5601 19.7532 176.1406 191 C 4.9285 8.6321 114.8197 55.4083 38.0722 172.0089 192 A 4.6830 8.9950 119.5862 51.4308 22.9417 175.1741 192A G 4.5164 9.7657 106.1414 44.1272 0.0000 172.1441 192B R 4.1353 8.5740 119.4698 58.1346 29.7385 177.3694 193 G 4.1674 9.1161 111.3634 46.5465 0.0000 174.1039 194 D 4.5210 8.5171 119.2345 55.6061 41.4498 176.7590 195 S 4.5841 7.8862 116.2992 60.2026 63.5613 175.4099 196 G 4.1496 9.1159 112.4583 46.5005 0.0000 173.7793 197 G 4.1056 7.8481 107.0352 45.1073 0.0000 173.2913 198 S 4.4503 8.3077 115.7437 58.0426 64.3639 173.6059 199 W 4.6698 9.1058 123.2342 54.9395 31.6382 174.5254 200 I 5.2325 9.1004 124.5757 59.8423 40.3798 174.0998 201 T 4.7950 8.7564 117.8846 60.6860 70.1902 176.0344 202 S 4.3332 8.7963 116.5269 61.1045 63.0967 175.0000 203 A 4.1325 7.6267 122.9899 53.3835 18.3352 178.5615 *207 G 3.9361 7.8033 104.1321 44.9541 0.0000 172.0441 208 Q 5.0526 7.9615 119.8499 54.0439 29.7212 175.1421 209 A 4.3904 9.1546 128.0620 52.3690 18.9258 177.5745 210 Q 4.2343 9.8987 122.0980 55.5852 31.4069 176.3756 211 G 4.3449 6.9439 104.1017 46.0662 0.0000 170.6034 212 V 5.2384 7.7794 111.7233 59.2773 35.5636 175.4133 213 M 4.4984 9.3120 124.5689 57.0214 32.6138 174.8934 214 S 4.6540 9.4509 120.1945 58.8167 64.2795 174.3172 215 G 4.2761 6.6727 103.5599 47.9177 0.0000 170.6492 216 G 4.3724 8.3089 106.4921 45.8586 0.0000 174.4709 217 N 4.9331 8.6327 119.1300 51.6528 35.0935 175.5099 217A V 3.7896 7.6893 117.2931 62.1832 33.0234 176.6194 217B Q 4.5284 8.5375 123.3881 54.3283 30.6413 176.6604 217C S 4.1022 8.5531 112.6090 61.3819 62.8570 174.6862 217D N 4.5299 8.1242 116.5278 52.9208 37.4982 175.7759 217E G 3.9512 9.6910 108.9785 45.4857 0.0000 172.5092 218 N 5.4469 8.4044 116.4618 51.8788 40.7979 174.4132 219 N 5.1514 8.4903 112.4491 52.9798 37.4280 175.8233 220 C 4.4139 8.9294 118.3345 59.6035 40.3943 174.6662 221 G 3.9944 8.0476 107.3097 44.9000 0.0000 173.0750 221A I 4.6233 6.9397 111.9244 57.4914 40.4759 173.7632 221B P 4.3799 0.0000 0.0000 62.3955 32.1444 177.0178 221C A 4.0728 8.8486 123.6076 55.5504 18.3851 180.0718 222 S 4.1720 8.1862 108.9557 61.0207 62.8897 175.0634 223 Q 4.5080 8.3921 117.4558 55.4389 28.9756 175.5212 224 R 4.4907 7.6516 117.9416 55.3524 31.3544 176.0475 225 S 4.6324 10.0810 116.8015 56.8488 65.2523 172.7412 226 S 5.2542 8.9171 123.8713 56.8564 65.5653 173.3422 227 L 5.2366 9.6574 126.3236 52.7431 44.5625 175.6761 228 F 5.3287 8.1034 117.0046 54.8491 41.5579 173.4644 229 E 4.6692 9.5910 122.6268 55.2603 30.8172 176.1692 230 R 4.5998 8.7100 125.8824 56.7701 31.0908 177.1474 231 L 4.2273 8.8968 123.9033 58.1284 42.1846 178.9483 232 Q 3.9798 8.2539 117.9372 58.9307 28.6792 177.7614 233 P 4.2838 0.0000 0.0000 65.7120 31.3482 178.5532 234 I 3.6814 7.6883 119.3300 64.3054 37.1329 178.0417 235 L 3.9937 7.9653 120.0708 57.8467 41.3159 179.8277 235A S 4.0719 7.9926 114.0359 61.2515 62.8865 176.1680 236 Q 3.7922 7.8967 122.3860 58.4497 28.7671 177.0883 237 Y 4.7861 7.2812 113.9318 56.5886 38.5988 175.5754 238 G 3.8186 7.5977 107.7683 46.7287 0.0000 173.9394 239 L 4.7081 7.8325 118.1691 52.9875 43.9927 176.8626 240 S 4.7845 8.8531 117.4456 56.4223 65.9243 173.5780 241 L 4.3613 8.4073 125.9952 54.9476 42.8538 176.2173 242 V 4.0900 8.3070 126.4633 62.7856 32.0534 175.1412 243 T 4.9085 8.5406 116.9541 59.9853 72.3913 174.1996 244 G 3.7080 8.5732 109.9178 46.0224 0.0000 172.6983 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 15A A 8.12 4.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15B N 8.61 4.82 0.00 2.68 2.74 0.00 0.00 6.92 6.57 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 16 I 9.32 4.20 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.88 0.00 0.00 17 V 8.11 4.68 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 0.98 0.00 0.00 0.94 0.00 0.00 18 G 8.53 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 I 7.28 4.02 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.90 0.00 0.00 30 E 8.63 4.83 0.00 1.98 1.88 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 2.25 2.23 0.00 31 Y 8.47 5.19 0.00 3.27 2.96 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 32 S 9.06 5.17 0.00 3.95 3.97 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 33 I 8.11 4.98 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.75 0.00 0.00 34 N 9.79 4.08 0.00 2.75 2.82 0.00 0.00 7.16 8.50 0.00 0.00 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 N 8.07 3.96 0.00 2.88 2.86 0.00 0.00 6.83 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 7.37 4.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.35 0.00 3.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 5.11 0.00 1.38 1.40 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.24 4.86 0.00 2.29 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 43 S 8.77 5.40 0.00 3.79 3.86 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 0.00 0.00 0.00 44 V 8.70 2.87 1.90 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 0.39 0.00 0.00 0.09 0.00 0.00 45 G 9.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.83 5.19 0.00 3.06 2.99 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 47 S 8.94 4.87 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.14 5.01 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 0.87 0.00 0.00 0.95 0.00 0.00 48A T 8.94 5.03 4.45 0.00 0.00 0.00 0.00 0.00 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 48B R 8.91 4.37 0.00 1.17 1.63 0.00 3.35 0.00 0.00 3.12 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 48C G 8.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48D A 8.62 4.20 1.30 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 0.00 0.00 0.00 49 T 7.98 4.35 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 50 K 8.43 4.75 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 51 G 8.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.25 5.66 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00 53 V 9.03 4.81 2.31 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 0.99 0.00 0.00 1.29 0.00 0.00 54 T 8.59 5.31 4.57 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 1.28 0.00 0.00 55 A 8.91 4.45 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.82 5.67 0.00 1.81 1.84 0.00 3.20 0.00 0.00 3.30 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 *80 I 8.26 4.20 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.92 0.93 0.00 0.00 81 G 9.63 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 82 G 8.36 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.56 4.71 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 0.00 0.00 0.00 0.00 0.00 84 V 8.39 4.14 2.10 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 0.84 0.00 0.00 0.95 0.00 0.00 85 V 9.14 4.34 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 0.86 0.00 0.00 1.10 0.00 0.00 86 G 7.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.66 1.85 0.00 100 G 8.59 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.59 5.25 0.00 2.72 3.07 0.00 0.00 6.29 8.08 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 0.00 102 D 9.48 5.67 0.00 3.01 2.78 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 0.00 0.00 0.00 0.00 103 R 9.29 5.22 0.00 2.15 2.26 0.00 3.08 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 104 A 8.59 5.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.15 5.44 0.00 3.26 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 0.00 106 V 7.71 3.85 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 0.33 0.00 0.00 -0.69 0.00 0.00 107 S 7.98 4.77 0.00 3.78 3.49 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.12 2.46 0.00 159 C 8.15 5.13 0.00 2.75 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 0.00 160 G 8.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 9.13 5.35 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 162 I 8.58 4.67 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.94 0.00 0.00 163 T 8.87 4.52 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 164 A 7.33 4.48 1.17 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 0.00 0.00 0.00 165 K 8.19 4.57 0.00 1.54 1.60 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.33 7.81 166 N 8.40 4.01 0.00 2.77 2.80 0.00 0.00 6.91 7.71 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 0.00 167 V 8.28 4.07 2.05 0.00 0.00 0.00 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 0.89 0.00 0.00 168 T 8.32 4.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 169 A 8.74 4.41 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.42 4.85 0.00 2.57 2.76 0.00 0.00 7.09 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 8.05 4.69 0.00 3.24 3.03 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 0.00 172 A 8.84 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *174 E 7.50 4.51 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 175 G 7.17 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 0.00 176 A 7.84 4.27 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.55 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 1.01 0.00 0.00 1.09 0.00 0.00 178 R 9.02 4.55 0.00 1.62 1.77 0.00 3.27 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 179 G 8.53 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.99 4.30 0.00 1.56 1.42 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 181 T 7.67 4.47 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 182 Q 9.14 4.86 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 183 G 9.23 4.74 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 0.00 184 N 8.86 5.16 0.00 3.06 3.05 0.00 0.00 7.27 7.04 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 *190 A 8.24 4.68 1.04 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 0.00 0.00 191 C 8.63 4.93 0.00 3.16 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 0.00 192 A 9.00 4.68 1.29 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 0.00 0.00 192A G 9.77 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192B R 8.57 4.14 0.00 1.68 1.90 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 193 G 9.12 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 0.00 0.00 0.00 0.00 194 D 8.52 4.52 0.00 2.92 2.73 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 0.00 0.00 0.00 195 S 7.89 4.58 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 9.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 S 8.31 4.45 0.00 3.63 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 0.00 199 W 9.11 4.67 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 9.10 5.23 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.76 1.05 0.00 0.00 201 T 8.76 4.80 4.29 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 1.27 0.00 0.00 202 S 8.80 4.33 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 203 A 7.63 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 G 7.80 3.94 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 0.00 0.00 0.00 208 Q 7.96 5.05 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 209 A 9.15 4.39 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 9.90 4.23 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 211 G 6.94 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 7.78 5.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.19 0.00 0.00 213 M 9.31 4.50 0.00 2.57 2.33 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.73 0.00 214 S 9.45 4.65 0.00 4.05 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 0.00 215 G 6.67 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.31 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 N 8.63 4.93 0.00 2.80 2.92 0.00 0.00 7.03 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217A V 7.69 3.79 2.10 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 0.75 0.00 0.00 0.94 0.00 0.00 217B Q 8.54 4.53 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 217C S 8.55 4.10 0.00 3.98 4.01 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 217D N 8.12 4.53 0.00 2.85 2.96 0.00 0.00 6.24 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217E G 9.69 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.40 5.45 0.00 3.06 2.91 0.00 0.00 6.47 7.02 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 0.00 219 N 8.49 5.15 0.00 2.95 3.29 0.00 0.00 7.46 8.87 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 0.00 220 C 8.93 4.41 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 G 8.05 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 0.00 0.00 0.00 221A I 6.94 4.62 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.92 0.00 0.00 221B P 0.00 4.38 0.00 2.25 2.23 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 221C A 8.85 4.07 1.35 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 0.00 0.00 0.00 222 S 8.19 4.17 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 Q 8.39 4.51 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 224 R 7.65 4.49 0.00 1.99 1.92 0.00 3.34 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 225 S 10.08 4.63 0.00 3.83 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 0.00 226 S 8.92 5.25 0.00 4.38 4.22 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 0.00 0.00 0.00 0.00 227 L 9.66 5.24 0.00 1.59 1.47 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 228 F 8.10 5.33 0.00 2.81 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 E 9.59 4.67 0.00 2.22 2.17 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 2.58 2.46 0.00 230 R 8.71 4.60 0.00 1.87 1.92 0.00 3.19 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 231 L 8.90 4.23 0.00 1.93 1.66 1.04 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 232 Q 8.25 3.98 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 233 P 0.00 4.28 0.00 2.24 2.29 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 234 I 7.69 3.68 2.08 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.34 1.21 0.00 0.00 235 L 7.97 3.99 0.00 1.77 1.84 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 235A S 7.99 4.07 0.00 4.03 4.07 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 0.00 236 Q 7.90 3.79 0.00 1.82 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 1.38 2.11 0.00 237 Y 7.28 4.79 0.00 2.79 2.57 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 0.00 238 G 7.60 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 239 L 7.83 4.71 0.00 1.41 1.41 0.63 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 240 S 8.85 4.78 0.00 3.64 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 0.00 241 L 8.41 4.36 0.00 1.57 1.51 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 242 V 8.31 4.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 243 T 8.54 4.91 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 1.24 0.00 0.00 244 G 8.57 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 * Residues marked with a * may have inaccurate shift predictions.