NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D M 4.4799 8.3001 118.7993 54.6719 32.8340 173.7540 1C A 4.3360 7.8673 126.0523 53.3685 21.1087 176.8434 1B A 4.3891 7.7941 116.2009 51.6447 20.0373 175.7762 2 S 3.6638 8.4778 111.0325 60.0679 63.6359 172.5091 3 L 3.5379 8.3987 122.4130 58.3704 41.3539 178.9393 4 N 4.3666 8.2658 116.2304 56.9705 38.6550 175.9751 5 D 4.3497 8.0082 118.6498 57.7341 41.3895 178.7826 6 F 4.1661 8.3268 117.8637 60.5008 39.0736 177.4316 7 L 3.8795 8.0703 118.2515 58.3604 41.5455 179.9548 8 S 4.2056 8.3161 115.0064 61.6527 62.5054 176.7901 9 S 4.3347 7.7575 115.0638 60.1182 63.0719 174.9915 10 V 4.3023 7.3977 113.1346 60.9742 32.8084 175.7440 11 L 4.5552 7.4797 121.4507 52.1782 43.9838 174.2841 12 P 4.7012 0.0000 0.0000 62.6189 32.2065 175.8556 13 V 3.8912 8.4771 121.7218 65.1538 31.7469 176.4571 14 S 3.8477 8.4563 119.9812 59.3034 61.6246 171.7005 15 E 4.6437 7.7489 119.3293 55.2668 31.3873 174.9779 16 Q 5.2099 8.3307 121.4683 54.6456 30.8473 174.8695 17 F 5.2315 9.3526 120.6434 56.1262 44.2256 173.2312 18 E 5.5955 9.6501 118.8553 55.0007 33.7969 174.6431 19 Y 5.7455 8.7998 118.6117 55.5312 42.1557 173.5880 20 L 4.8711 9.5904 123.7654 53.6814 44.5697 174.9281 21 S 4.8037 9.0354 120.5585 56.6391 65.0378 171.9006 22 L 5.3751 8.8478 130.0094 53.4124 44.8524 174.8944 23 Q 5.2383 9.0070 125.3430 54.5609 32.7510 174.5135 24 S 3.9508 8.3598 121.1299 57.6515 64.4997 173.5551 25 I 4.0381 7.9189 121.5232 60.1049 37.6559 174.4684 26 P 4.6162 0.0000 0.0000 63.4019 32.4498 175.1861 27 L 5.2704 8.6834 122.3289 53.9390 44.4388 175.3263 28 E 4.6889 8.9106 120.3705 56.9299 30.1572 176.0474 29 T 4.7954 8.4551 117.5179 60.4006 71.3050 172.8141 30 H 4.3593 8.5575 118.5834 54.6209 29.2247 175.0994 31 A 4.0455 8.2424 122.8284 51.6290 19.0677 177.8629 32 V 3.2485 8.3757 121.5533 65.1878 31.6029 176.0688 33 V 4.3637 7.1916 117.3293 60.4992 33.1296 175.0177 34 T 3.7980 8.4024 123.0936 63.6216 68.6775 172.1536 35 P 4.4903 0.0000 0.0000 62.2750 32.1340 175.5895 36 N 4.3132 8.2950 119.4250 51.2660 38.6810 175.3360 37 K 4.0161 8.4936 120.7582 59.7525 32.3795 177.3902 38 D 4.7085 7.5594 117.0795 54.8320 41.1702 175.6096 39 D 4.9355 7.6917 116.7569 52.3951 44.1724 175.3756 40 K 4.2130 8.5139 123.3029 57.5735 32.7491 177.2115 41 R 4.5673 7.9398 116.8395 54.3820 32.9315 174.4040 42 V 4.6321 8.3186 122.5405 60.0698 33.5952 173.5934 43 P 3.9750 0.0000 0.0000 62.4418 31.7744 176.4952 44 K 4.1337 8.8246 124.7678 59.5241 32.7228 176.9168 45 S 4.5242 7.2873 111.4670 57.4692 65.8630 173.3694 46 T 4.8969 8.2253 121.0737 61.7242 71.9010 172.6558 47 I 4.6482 8.5801 127.0840 59.2826 40.1174 174.4260 48 K 4.6415 9.1780 128.5355 54.7301 35.1144 174.8138 49 T 4.8452 8.3575 122.8251 61.7571 72.7990 172.4012 50 Q 4.5271 8.9952 127.7964 54.9254 31.0321 173.6566 51 H 5.2893 9.0671 124.2670 54.1256 31.1516 173.4668 52 F 5.0392 9.2281 126.0123 56.2809 42.0534 173.7276 53 F 5.4506 8.5099 124.6054 55.8571 42.4883 174.6007 54 S 4.8078 9.2503 117.3286 56.8931 67.2624 172.9879 55 L 5.2899 8.7334 124.2086 53.0900 44.4539 175.5418 56 F 5.7047 9.6040 120.3541 56.3364 43.0488 173.6229 57 H 5.0497 9.4297 120.6532 55.3699 33.5021 173.4374 58 Q 2.8933 9.3454 124.3212 57.1271 26.3348 174.0405 59 G 2.6449 7.9892 100.7425 45.5396 0.0000 173.4592 60 K 4.9306 7.6369 117.9753 54.0791 35.9576 176.6825 61 V 4.1336 8.6224 123.7471 61.9285 31.9818 176.0099 62 F 5.1959 8.5353 113.6483 56.5165 40.7573 173.6410 63 F 5.2791 7.4269 121.3795 57.3222 42.8436 172.8593 64 S 4.5083 8.2454 119.9498 56.8351 67.9074 172.8118 65 L 4.7423 7.9542 123.5303 53.5890 45.7978 174.0751 66 E 5.0843 9.4091 127.7683 54.4640 32.0684 174.6600 67 V 4.8814 8.8936 126.5460 61.2753 35.6180 173.5408 68 Y 5.1305 9.0514 123.4888 56.1687 41.4492 174.5400 69 V 4.8092 8.6826 124.1895 61.3150 34.0735 173.6802 70 Y 5.0795 9.1502 125.8600 56.1944 40.8048 174.6912 71 V 4.5992 8.6114 124.7838 61.6936 33.6288 174.3221 72 T 4.6394 8.9489 125.8207 61.9044 70.6469 173.6351 73 L 4.7409 8.5117 126.6563 52.9444 43.4930 177.2607 74 W 4.5857 9.2332 123.6555 58.1093 31.1871 175.1675 75 D 4.6293 7.4723 115.0724 53.8606 42.8758 174.6769 76 E 4.1327 9.5286 117.8055 58.8674 29.4714 177.6153 77 A 4.5667 8.0018 118.3161 51.6933 20.1663 175.4007 78 D 4.9656 7.9143 114.7527 52.7466 43.5180 174.1944 79 A 5.3313 8.5549 125.7292 51.1839 22.6416 174.6525 80 E 5.0852 9.1995 117.8001 54.8305 34.5094 174.8969 81 R 5.2360 9.1027 118.7952 54.4683 33.2438 174.2579 82 L 5.1720 8.9986 122.0222 53.7568 45.9959 174.9147 83 I 4.7406 9.1167 128.0121 59.9591 38.9076 174.7282 84 F 5.0139 9.3784 132.1545 56.7409 40.3705 175.1563 85 V 3.7967 7.9413 128.2234 62.6487 30.9958 175.4346 86 S 3.6775 8.4973 123.4667 59.6655 63.0078 174.3519 87 K 4.5400 7.6851 117.4548 54.5702 36.2968 174.6445 88 A 5.2092 8.6038 125.5167 50.5373 22.0401 174.4945 89 D 4.8983 8.4484 119.0303 53.7637 45.3710 173.9720 90 T 5.6101 8.8487 111.3915 59.0559 72.0825 173.0773 91 N 4.5204 8.4137 117.1915 51.7009 38.2984 175.4564 92 G 3.6378 8.2730 107.1639 46.1736 0.0000 173.8527 93 Y 4.6625 7.7605 118.7487 57.1898 36.9871 175.4837 94 C 4.7346 7.5205 118.6505 57.6725 34.7257 172.6940 95 N 4.7751 8.8036 122.7167 52.6295 37.3823 174.1069 96 T 4.5230 7.1522 111.9263 60.0693 70.5144 172.9221 97 R 4.1330 8.3258 125.8448 55.8108 30.5006 176.0524 98 V 4.3772 7.9083 117.2738 58.9870 35.8337 175.7226 99 S 4.4766 8.1484 115.7204 56.9907 62.7678 174.7608 100 V 3.3525 8.2151 130.0759 65.6683 31.3424 177.2164 101 R 2.8746 8.2385 118.1392 59.6881 29.6295 178.0693 102 D 4.2127 7.9062 118.1913 57.0689 40.6975 178.7082 103 I 3.4685 7.6132 120.4616 64.6682 37.1696 178.4999 104 T 3.8111 7.6810 116.3472 66.3905 68.2651 176.4049 105 K 3.7917 7.8669 121.5272 59.7521 32.2518 178.5887 106 I 3.6883 7.9020 118.9093 64.0078 37.8656 177.7579 107 I 3.4045 7.8008 120.9589 64.4133 36.7899 178.4260 108 L 4.0010 7.6655 119.3531 57.6060 41.1897 179.3780 109 E 3.8251 8.0234 118.0965 58.8843 29.5721 178.7790 110 F 2.9748 7.3963 120.8009 60.9074 39.3948 177.2012 111 I 3.3200 7.5671 119.3109 64.3105 36.6746 178.4656 112 L 3.9829 7.8369 119.0565 57.1675 41.6196 178.8615 113 S 4.3093 7.5457 112.9528 58.2934 63.3545 173.8674 114 I 3.9504 6.8007 124.7886 60.3790 37.6423 175.3033 115 D 4.4998 8.6201 126.0364 53.5225 41.6811 175.4242 116 P 4.5247 0.0000 0.0000 65.9581 31.0422 178.0954 117 N 4.5629 8.8146 116.3534 55.7139 38.1187 176.4364 118 Y 3.4224 7.2869 121.2292 60.5942 38.8479 177.2569 119 Y 4.0585 7.3983 115.1876 59.6745 38.4078 176.8656 120 L 4.6513 7.5574 119.3619 55.0804 41.9958 178.2648 121 Q 4.0120 7.9328 116.9351 58.3422 29.1466 175.9813 122 K 4.4363 7.6097 119.4911 55.4505 34.2018 175.1428 123 V 4.7114 8.9803 128.3931 60.5930 34.7818 174.5100 124 K 4.3618 9.3924 130.8236 55.6028 32.8365 174.7283 125 P 4.7789 0.0000 0.0000 62.5134 32.0938 177.2498 126 A 4.0226 9.0327 123.6611 54.2268 18.5507 177.9164 127 I 4.4879 7.1472 112.8616 59.7302 39.4640 174.9386 128 R 4.5768 8.5084 124.4243 54.3509 32.0423 176.2005 129 S 4.6699 8.2517 117.8857 57.9346 64.0941 173.3819 130 Y 4.6370 8.2842 120.4445 56.1047 41.6699 174.7620 131 K 4.5838 8.7143 122.0615 54.6053 34.3110 175.7136 132 K 4.5273 8.6267 123.5692 54.8125 33.6329 175.8358 133 I 4.2941 8.0996 124.2460 59.5352 38.4500 175.3278 134 S 4.2777 8.5677 120.4444 57.2586 62.9012 173.0357 135 P 4.2423 0.0000 0.0000 64.7979 31.5542 177.7002 136 E 4.0964 7.8394 117.0505 58.6912 29.4022 177.7806 137 L 4.2365 7.5028 116.9525 55.3275 42.0379 176.4792 138 I 4.2623 7.5232 121.1238 59.6138 38.2750 175.7978 139 S 4.6039 8.2641 119.9281 56.3878 64.9633 174.5943 140 A 4.0746 8.3913 121.9867 54.2220 18.0755 178.0749 141 A 4.4433 7.7025 116.9429 52.6085 19.8372 178.1680 142 S 4.7425 7.4257 113.1823 57.5203 64.0580 173.4488 *175 L 4.0342 8.3430 126.6057 56.0567 42.7299 175.8769 176 Y 4.8221 8.3625 122.4952 56.1058 40.9191 175.5205 177 L 4.4263 8.8826 123.3426 54.5061 43.4105 175.9370 178 S 5.0494 7.7704 113.9782 57.1934 66.2798 172.6866 179 F 5.1478 8.9276 118.7497 56.6529 43.3637 173.5928 180 T 4.8655 8.5409 109.4042 60.4599 71.6702 172.2500 181 C 4.9205 8.1715 115.4631 56.4205 32.3987 171.8095 182 P 4.5162 0.0000 0.0000 62.5535 31.4917 177.3676 183 R 4.0622 8.6630 120.4710 59.0462 30.2815 177.1033 184 E 4.4099 8.0246 120.7579 54.4390 28.2053 174.1326 185 I 4.9321 7.6071 116.6030 57.7157 41.4135 175.1597 186 L 3.2046 8.4925 124.6211 55.6501 43.0488 175.4688 187 T 5.0713 8.9036 123.1606 61.7388 71.3847 173.2495 188 K 5.7215 9.0375 125.5092 53.8782 35.7244 175.2067 189 I 5.1289 8.1889 123.2393 59.8112 40.8064 174.1295 190 C 5.4026 9.0140 124.1988 58.0032 31.9465 173.0732 191 L 4.7884 8.3419 120.7381 54.5550 43.5627 173.7538 192 F 4.9458 8.7265 123.2868 56.6688 41.4605 174.4713 193 T 4.4367 8.8220 118.3030 61.0615 70.3234 174.1582 194 R 4.9927 8.5477 126.5547 54.6180 32.7733 172.7734 195 P 4.6449 0.0000 0.0000 62.9006 32.2657 174.9699 196 A 4.6076 8.1120 121.5068 50.6290 22.1641 176.5566 197 S 4.2149 8.4940 114.2915 61.4375 63.0596 174.5409 198 Q 4.6798 6.9957 114.7175 55.7153 30.4800 172.8954 199 Y 4.5759 9.6521 115.4117 58.5388 40.5520 176.7589 200 L 4.6270 8.2342 115.9586 54.2322 43.8225 175.6784 201 F 5.0178 8.0137 117.8869 53.8939 39.6612 171.0831 202 P 4.4679 0.0000 0.0000 64.2788 32.0437 176.5953 203 D 4.6041 9.1628 120.3117 55.1628 38.6833 175.8214 204 S 4.6990 8.3190 115.4579 60.3646 63.1128 176.2137 205 S 4.3103 7.9842 114.3806 59.9850 63.0875 175.2133 206 K 4.0667 7.7663 120.2549 58.1978 32.2067 176.4305 207 N 4.5928 8.0756 119.4397 52.6876 38.8215 175.8793 208 S 4.2627 8.6264 122.3109 60.8196 63.1236 175.3745 209 K 4.1267 7.9911 118.4884 56.9955 32.2417 177.1619 210 K 3.8148 7.5953 121.6217 56.3165 32.4129 175.5391 211 H 4.5762 8.6220 126.2773 54.6683 29.7068 173.7330 212 I 4.1416 7.8173 128.5841 59.2664 37.7221 176.1803 213 L 4.1087 8.0219 126.4092 54.3388 42.1709 177.5511 214 N 4.7797 8.9865 121.3886 52.1528 39.4457 176.6173 215 G 3.7120 8.4213 108.2907 47.2024 0.0000 175.2257 216 E 4.0309 8.0993 120.2332 59.2799 30.1022 178.2535 217 E 4.1578 8.6415 118.8077 59.0757 29.4042 179.1981 218 L 4.4046 8.0275 119.2328 55.5374 42.2950 178.7072 *220 K 4.4774 8.0284 118.1956 55.8367 34.4990 178.2055 221 W 4.0737 8.5767 128.2635 60.4498 30.5509 178.1807 222 W 4.3858 8.8294 119.2206 59.7968 28.4205 178.8628 223 G 3.7263 8.3418 105.3503 47.4856 0.0000 175.5203 224 F 3.9501 8.5203 122.9726 61.1716 39.3711 177.0237 225 I 3.7189 7.6862 119.3076 64.7030 36.9307 178.3563 226 L 4.0505 8.4429 119.7616 57.7934 41.4807 179.0599 227 D 4.6678 8.6091 118.2579 57.7783 41.1237 178.7458 228 R 3.9075 7.9687 118.3687 59.0210 29.9974 179.0219 229 L 4.0548 8.1979 119.3165 57.7021 41.6986 179.5671 230 L 3.8188 7.9296 119.0950 57.7464 41.2322 179.6040 231 I 3.9328 7.5127 118.6751 64.3061 37.2188 177.9358 232 E 4.2540 8.3961 118.6011 58.3216 29.6866 177.2935 233 C 4.7512 8.5603 113.8766 58.8080 30.4895 173.5075 234 F 5.1940 7.8162 117.0612 55.1783 41.2910 175.3520 235 Q 4.3418 8.8497 122.1678 55.9531 29.0500 177.2229 236 N 4.9368 8.8205 115.9234 54.7486 38.4674 175.3982 237 D 4.9609 7.6788 116.1270 53.2817 39.7197 176.1930 238 T 4.2774 7.6572 116.4784 63.6440 69.3860 174.4238 239 Q 4.1692 8.7716 127.4989 55.9430 30.5932 174.6065 240 A 4.3970 8.2763 126.7776 49.9964 21.9509 174.7003 241 K 5.6780 8.7222 121.6630 53.7089 36.0578 175.9911 242 L 5.1387 8.5010 124.5707 53.5088 45.7211 175.0114 243 R 4.8070 8.9219 121.4591 54.5087 33.6770 174.6217 244 I 4.5666 8.0133 121.1732 58.5304 37.8381 173.2256 245 P 4.4490 0.0000 0.0000 63.9493 31.6546 177.5366 246 G 3.9407 8.8947 108.7441 45.8503 0.0000 172.8711 247 E 4.5976 7.7550 120.0093 53.7423 31.7732 175.0438 248 D 4.4515 8.4245 124.0301 53.5267 41.9639 175.3827 249 P 4.4596 0.0000 0.0000 65.0183 31.2833 178.3727 250 A 4.0196 8.3870 121.6223 55.1003 17.8795 179.7483 251 R 3.9184 7.6291 115.2958 59.4056 30.2475 179.0056 252 V 3.6733 7.8732 117.4933 66.4555 31.1484 177.7731 253 R 3.9187 7.7652 116.7704 59.2837 30.1919 178.3337 254 S 4.2338 7.7218 112.9884 61.6247 62.9210 175.5406 255 Y 4.2416 7.5686 122.6979 60.4306 38.2995 178.2432 256 L 3.3165 7.4498 117.8456 57.6824 41.7034 179.5716 257 R 4.1438 7.4792 116.7719 58.0083 31.2313 177.7943 258 G 3.7118 7.4855 109.2444 44.0443 0.0000 173.1225 *260 K 4.2620 7.8079 120.9784 56.5946 34.9596 176.4122 261 Y 4.2525 8.7762 121.5842 56.9430 38.8282 174.3832 262 P 4.4755 0.0000 0.0000 63.8089 31.7836 176.2973 263 L 4.6720 5.8690 118.0783 54.1470 42.5443 176.5069 264 W 4.5687 8.3958 118.3119 57.1001 29.7616 175.8096 265 Q 4.7672 9.3304 122.2043 53.7216 32.9759 174.7921 266 V 4.0073 8.3197 121.6820 62.7525 31.9025 175.0028 267 G 3.7385 7.2993 115.9025 44.3159 0.0000 171.5866 268 D 4.3855 7.9185 124.2259 52.3716 42.2257 174.9626 269 I 4.1131 7.3204 110.1668 60.8704 37.5438 176.2605 270 F 4.9654 7.9507 119.9996 58.4984 39.9015 176.6403 271 T 4.0331 7.7900 117.1224 64.4348 68.7259 172.3127 272 S 4.8266 8.4689 114.7582 56.8029 62.5215 172.8103 273 K 4.3848 8.1434 121.7537 55.5541 30.1143 176.8111 274 E 4.2040 7.8493 118.7365 56.5322 30.1906 176.2309 275 N 4.3513 8.2020 119.3471 52.6784 39.5479 173.8498 276 S 4.4212 8.3212 114.2772 59.1039 63.7227 174.0599 277 L 4.3708 7.8387 123.0117 54.6854 42.1764 177.5658 278 A 3.7571 8.8364 127.6249 55.0926 18.5239 180.0286 279 V 3.3626 7.3726 113.9633 64.7141 31.3498 176.4761 280 Y 4.7982 7.1198 115.5619 58.0397 37.8020 175.5696 281 N 4.8430 7.5041 116.2494 53.5527 41.4091 174.9013 282 I 3.2773 7.6775 120.0646 59.7778 37.5029 174.0430 283 P 4.1155 0.0000 0.0000 62.3015 32.4800 176.1925 284 L 4.2053 7.3595 121.0254 53.0379 43.1967 175.8219 285 F 4.8117 7.7797 122.0256 54.3004 42.4447 173.7045 286 P 4.1632 0.0000 0.0000 64.1176 31.4919 176.1507 287 D 4.4789 8.7796 120.7443 55.1299 38.7099 172.6943 288 D 4.8176 7.6295 119.4221 52.4339 42.4131 177.0815 289 P 4.1832 0.0000 0.0000 62.0491 30.7960 178.3831 *291 A 4.1522 8.1824 122.3330 52.2642 20.7520 179.7568 292 R 3.8704 8.0528 115.4914 59.7213 30.0574 178.5976 293 F 4.3073 8.2705 120.2183 61.2022 39.2876 177.2556 294 I 3.5821 7.8728 119.1871 64.4395 36.8243 177.7292 295 H 4.0336 8.3916 119.3580 59.0747 29.6986 176.9721 296 Q 4.0104 8.1168 121.4669 59.2839 28.8140 178.4564 297 L 3.7047 7.5782 119.6463 57.4048 41.5469 179.1639 298 A 3.8261 8.0556 121.0928 55.4482 18.1106 179.5782 299 E 3.8695 7.8460 115.3422 59.1806 29.5775 178.0642 300 E 4.1606 7.7689 115.7002 55.8322 29.8317 175.7130 301 D 4.3453 7.6936 117.3463 55.6665 40.2627 173.9114 302 R 4.5694 8.1323 113.6460 55.4782 30.4719 178.4666 303 L 3.8968 7.8052 120.3827 57.1775 41.6982 177.8320 304 L 4.5290 7.7399 115.9701 54.3574 41.8637 176.7577 305 K 4.3523 7.8243 119.1585 56.6557 34.3380 176.6223 306 V 4.0527 7.4976 119.4824 61.4173 32.1416 175.6639 307 S 4.9250 8.4332 122.5282 57.7523 65.4355 174.8937 308 L 3.9900 9.1424 122.7717 57.8673 40.7039 180.2003 309 S 4.3826 8.1420 113.7631 61.8657 63.1401 176.7035 310 S 4.2448 8.2425 119.2194 60.8595 62.5444 175.8565 311 F 4.0221 8.6447 123.8147 61.7749 38.6093 177.4480 312 W 4.5729 8.2555 117.7510 59.7376 28.9044 178.8553 313 I 3.8057 7.6668 118.9086 64.6079 36.6417 178.4147 314 E 4.2277 8.7156 119.6255 58.7258 29.1562 178.9215 315 L 2.6136 7.6353 121.0350 57.8306 42.1202 178.9582 316 Q 3.9281 7.5964 118.6477 59.2910 28.9319 177.4573 317 E 3.8666 8.4241 119.3385 58.7295 29.7521 178.0682 318 R 4.7113 8.3143 115.4406 55.9753 31.4707 176.0470 319 Q 4.3258 7.7566 117.0648 57.2249 30.9807 176.7153 320 E 3.9165 8.3553 116.7223 58.0747 29.5120 178.8561 321 F 4.3007 8.1950 115.0260 59.8794 37.5686 177.5915 322 K 3.4701 6.0633 117.5797 58.7109 31.7409 178.7148 323 L 4.0435 7.4677 117.9333 54.9229 42.6843 176.7883 324 S 3.7666 7.9608 114.6191 58.5329 60.7452 172.7418 325 V 4.4214 7.1603 116.1518 61.6284 34.4661 173.2474 326 T 4.0303 8.6443 123.9238 64.0931 68.7732 173.2496 327 S 5.2168 8.5293 121.7412 56.8327 66.9030 173.3020 328 S 4.6681 8.6756 116.4048 56.8178 67.1921 172.5413 329 V 4.6907 7.8563 120.1982 59.8490 35.2132 174.0653 *331 G 3.9908 8.3289 107.6912 46.0633 0.0000 172.0142 332 I 4.7836 8.5392 123.4838 59.2236 41.5032 174.9212 333 S 4.6768 8.4583 120.5317 57.9622 65.5705 173.2438 334 G 4.2173 8.2943 116.4045 46.3425 0.0000 170.1503 335 Y 4.8365 7.9067 116.3710 55.8252 40.2071 175.7384 336 S 4.2396 8.3446 119.7432 58.3783 63.6798 174.6946 337 L 4.0703 8.4775 124.0524 56.9715 41.5938 177.7259 338 A 4.7463 7.4584 119.4828 49.9264 21.2267 175.9794 339 T 4.3598 8.6727 118.8221 62.2843 68.9090 172.6055 340 P 4.4198 0.0000 0.0000 62.8667 31.8194 176.3232 341 S 4.6725 8.3968 113.8768 57.4696 65.0259 173.5059 342 L 4.1009 7.9120 124.6375 55.0725 42.2527 175.6258 343 F 4.4186 8.6827 124.8537 54.6867 39.3881 173.3775 344 P 4.3473 0.0000 0.0000 63.2357 31.7008 177.6272 345 S 4.6440 8.9956 118.5468 57.4871 65.5051 175.3550 346 S 4.5308 8.8206 117.2195 60.4938 62.7368 175.8788 347 A 4.2011 7.9614 123.9543 55.1771 18.3881 178.7514 348 D 4.5450 7.9312 116.0366 56.5262 41.1836 177.2127 349 V 4.9506 7.7132 110.5790 59.9141 36.9779 174.1675 350 I 4.6769 9.0145 124.0089 59.6369 40.0255 174.8735 351 V 4.6206 8.3622 126.8440 59.4438 32.1798 173.4224 352 P 4.5857 0.0000 0.0000 62.1016 31.9097 178.1168 353 K 3.8790 8.6054 119.3715 59.0253 33.1794 177.0189 354 S 4.7572 7.6435 113.4143 55.3855 65.8306 174.5234 355 R 3.9848 8.6690 125.1633 59.4479 29.8795 179.0747 356 K 3.9888 8.0345 118.0034 59.4653 32.0444 179.1295 357 Q 4.0089 8.0984 119.3851 58.9596 29.1257 177.5839 358 F 3.9871 8.3821 121.7349 61.6093 39.4497 177.3536 359 R 3.8179 8.3213 117.2956 59.1708 29.4400 179.0174 360 A 3.6256 7.9059 120.5631 54.8498 17.4052 179.8543 361 I 3.3156 7.1557 118.3459 64.1893 37.1685 178.5689 362 K 3.4596 7.4130 120.4458 59.1012 31.9026 178.7750 363 K 3.9475 7.6646 120.9803 58.7706 31.7641 178.2933 364 Y 4.6018 7.0025 116.0896 60.9856 37.4327 178.3582 365 I 4.3983 7.6157 119.3121 63.8394 37.0768 178.3988 366 T 4.4082 7.5808 109.1408 63.2214 69.0577 176.0123 367 G 3.9934 8.3591 109.9136 45.3014 0.0000 173.3500 368 E 4.2787 7.7541 119.7341 55.1957 30.8209 175.1524 369 E 4.5960 8.2275 122.1443 55.4128 31.1364 176.3676 370 Y 4.5729 8.9930 121.0271 57.7781 38.5835 177.5712 371 D 4.8139 8.3660 121.8427 55.5751 40.1031 175.9610 372 T 4.8250 7.5224 108.8686 58.6895 72.0918 174.2389 373 E 2.5400 8.4228 121.8689 58.5809 29.3114 178.7051 374 E 4.0265 7.7146 117.8068 59.3158 29.3988 179.3429 375 G 3.7664 8.0550 106.6695 47.0957 0.0000 175.6692 376 A 4.4497 7.6091 122.5653 54.8702 18.5401 179.6929 377 I 4.0366 7.7343 119.8050 64.1872 37.1640 178.3205 378 E 3.9645 8.5860 120.3076 58.9516 29.4331 178.5431 379 A 4.2367 8.1659 121.0140 55.2634 18.4904 179.2780 380 F 4.2401 8.5817 118.8209 61.8418 39.5571 177.3008 381 T 3.4892 8.1243 109.3433 64.6608 68.5679 176.4114 382 N 3.9444 8.2273 119.5342 55.7648 38.4508 177.4183 383 I 3.6872 7.5403 121.3283 64.4651 37.3202 178.7922 384 R 3.7549 7.6545 116.9023 59.1418 29.0438 178.6400 385 D 4.2072 7.8758 119.6541 56.9798 40.8432 178.2511 386 F 3.8870 8.1977 121.1644 61.3607 39.4232 177.1568 387 L 4.1089 8.1702 118.4148 57.7936 41.0849 179.6222 388 L 3.9998 7.9136 118.7741 57.7773 41.3773 179.6730 389 L 3.9961 7.9078 117.8205 57.6725 41.7202 178.9224 390 R 4.0570 7.6811 114.7004 56.1705 30.5050 176.7850 *392 A 4.3089 7.6994 120.1414 52.3112 19.8474 176.8584 393 T 4.6484 7.8899 113.6094 61.2408 70.8996 172.5903 394 N 4.8763 8.3265 123.5083 51.2284 40.7952 174.9614 395 L 4.1197 7.9456 119.5092 54.8410 42.5179 177.0788 396 Q 4.2641 7.8538 121.4587 55.5820 29.7833 175.4176 397 S 5.3963 8.5266 117.4577 56.9770 65.8560 173.2769 398 L 5.0216 8.9828 119.9248 53.5901 46.2034 175.3312 399 T 5.1207 8.5921 118.7944 61.5149 71.0712 174.6168 400 G 4.4764 9.4628 113.7025 46.1722 0.0000 173.9624 401 K 4.6898 9.0086 120.0212 55.7961 34.8526 176.3895 402 R 4.1694 8.2145 122.4637 55.6227 30.7499 176.0251 403 E 4.3847 8.7482 125.9579 56.4142 30.8967 176.8403 404 H 4.4939 8.3895 117.0874 56.1443 29.0527 175.4045 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 1D M 8.30 4.48 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 1C A 7.87 4.34 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 1B A 7.79 4.39 1.20 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 2 S 8.48 3.66 0.00 4.27 4.10 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 3 L 8.40 3.54 0.00 0.27 1.29 0.32 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.27 4.37 0.00 2.99 2.91 0.00 0.00 7.19 8.49 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 5 D 8.01 4.35 0.00 2.72 2.52 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 6 F 8.33 4.17 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.07 3.88 0.00 1.68 1.65 0.44 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.32 4.21 0.00 4.07 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 9 S 7.76 4.33 0.00 4.03 3.93 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 10 V 7.40 4.30 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 0.68 0.00 0.00 0.90 0.00 0.00 11 L 7.48 4.56 0.00 1.46 1.19 0.60 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.70 0.00 2.40 2.31 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 13 V 8.48 3.89 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 1.00 0.00 0.00 0.88 0.00 0.00 14 S 8.46 3.85 0.00 4.12 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 15 E 7.75 4.64 0.00 2.35 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 16 Q 8.33 5.21 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 17 F 9.35 5.23 0.00 3.16 3.28 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 18 E 9.65 5.60 0.00 2.10 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 2.28 2.33 0.00 19 Y 8.80 5.75 0.00 3.27 3.16 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 20 L 9.59 4.87 0.00 2.19 1.96 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.04 4.80 0.00 4.20 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 22 L 8.85 5.38 0.00 1.82 1.72 0.95 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.01 5.24 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 24 S 8.36 3.95 0.00 3.45 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 0.00 25 I 7.92 4.04 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.98 0.00 0.00 26 P 0.00 4.62 0.00 2.26 2.09 0.00 3.48 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 27 L 8.68 5.27 0.00 1.82 1.71 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.91 4.69 0.00 2.08 1.93 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 2.37 2.38 0.00 29 T 8.46 4.80 4.21 0.00 0.00 0.00 0.00 0.00 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 30 H 8.56 4.36 0.00 3.22 3.25 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.24 4.05 1.18 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 0.00 0.00 32 V 8.38 3.25 1.81 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 0.38 0.00 0.00 0.29 0.00 0.00 33 V 7.19 4.36 2.04 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 0.81 0.00 0.00 0.74 0.00 0.00 34 T 8.40 3.80 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 1.22 0.00 0.00 35 P 0.00 4.49 0.00 2.06 2.02 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 36 N 8.30 4.31 0.00 2.31 1.49 0.00 0.00 6.12 7.13 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 37 K 8.49 4.02 0.00 1.69 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 38 D 7.56 4.71 0.00 2.54 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 39 D 7.69 4.94 0.00 2.61 2.58 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 0.00 40 K 8.51 4.21 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.42 7.81 41 R 7.94 4.57 0.00 1.62 1.80 0.00 3.12 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 42 V 8.32 4.63 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 0.84 0.00 0.00 0.98 0.00 0.00 43 P 0.00 3.98 0.00 1.72 1.14 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.91 0.00 44 K 8.82 4.13 0.00 1.72 1.92 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.40 7.81 45 S 7.29 4.52 0.00 3.69 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 46 T 8.23 4.90 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 47 I 8.58 4.65 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.93 0.00 0.00 48 K 9.18 4.64 0.00 1.54 1.49 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.18 0.70 7.81 49 T 8.36 4.85 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 1.31 0.00 0.00 50 Q 9.00 4.53 0.00 1.83 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.15 1.50 0.00 51 H 9.07 5.29 0.00 3.27 2.81 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 9.23 5.04 0.00 3.06 2.77 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 53 F 8.51 5.45 0.00 2.74 2.82 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 54 S 9.25 4.81 0.00 3.79 3.34 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 55 L 8.73 5.29 0.00 1.34 0.95 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.60 5.70 0.00 3.07 3.02 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 57 H 9.43 5.05 0.00 3.38 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 9.35 2.89 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 1.97 1.57 0.00 59 G 7.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.64 4.93 0.00 2.06 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 61 V 8.62 4.13 2.23 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 1.07 0.00 0.00 0.66 0.00 0.00 62 F 8.54 5.20 0.00 3.13 3.45 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 0.00 63 F 7.43 5.28 0.00 2.98 2.18 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 64 S 8.25 4.51 0.00 3.10 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 65 L 7.95 4.74 0.00 1.47 1.37 1.15 0.75 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 66 E 9.41 5.08 0.00 2.17 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 67 V 8.89 4.88 2.26 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 1.12 0.00 0.00 1.05 0.00 0.00 68 Y 9.05 5.13 0.00 3.16 2.58 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 0.00 69 V 8.68 4.81 1.49 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 0.54 0.00 0.00 0.97 0.00 0.00 70 Y 9.15 5.08 0.00 2.89 2.79 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 71 V 8.61 4.60 2.04 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 0.96 0.00 0.00 0.92 0.00 0.00 72 T 8.95 4.64 4.06 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 0.00 0.00 0.17 0.00 0.00 73 L 8.51 4.74 0.00 1.27 1.37 0.29 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 74 W 9.23 4.59 0.00 3.26 3.19 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 75 D 7.47 4.63 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.53 4.13 0.00 2.00 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 2.42 2.34 0.00 77 A 8.00 4.57 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 78 D 7.91 4.97 0.00 2.93 2.81 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 0.00 0.00 0.00 0.00 79 A 8.55 5.33 1.26 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 0.00 0.00 0.00 80 E 9.20 5.09 0.00 2.04 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 0.00 2.39 2.71 0.00 81 R 9.10 5.24 0.00 1.86 2.03 0.00 2.76 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 82 L 9.00 5.17 0.00 1.80 1.68 1.13 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.12 4.74 1.94 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 1.16 0.80 0.96 0.00 0.00 84 F 9.38 5.01 0.00 2.47 3.06 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 0.00 0.00 0.00 85 V 7.94 3.80 1.60 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 0.74 0.00 0.00 0.85 0.00 0.00 86 S 8.50 3.68 0.00 3.87 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 87 K 7.69 4.54 0.00 1.68 1.58 0.00 1.76 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 1.39 7.81 88 A 8.60 5.21 1.61 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 89 D 8.45 4.90 0.00 2.86 2.47 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 90 T 8.85 5.61 4.33 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 1.47 0.00 0.00 91 N 8.41 4.52 0.00 2.42 1.70 0.00 0.00 6.10 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 92 G 8.27 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.76 4.66 0.00 3.20 2.97 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 94 C 7.52 4.73 0.00 2.46 2.47 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 95 N 8.80 4.78 0.00 2.85 2.89 0.00 0.00 5.89 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 96 T 7.15 4.52 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 0.95 0.00 0.00 97 R 8.33 4.13 0.00 1.75 1.78 0.00 3.18 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 98 V 7.91 4.38 1.96 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 0.74 0.00 0.00 0.86 0.00 0.00 99 S 8.15 4.48 0.00 3.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.22 3.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.00 0.00 0.00 101 R 8.24 2.87 0.00 1.65 1.63 0.00 2.21 0.00 0.00 2.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.00 102 D 7.91 4.21 0.00 2.76 2.61 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 0.00 103 I 7.61 3.47 1.53 0.00 0.00 0.66 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 0.52 0.28 0.00 0.00 104 T 7.68 3.81 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 1.23 0.00 0.00 105 K 7.87 3.79 0.00 1.80 1.88 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.45 7.81 106 I 7.90 3.69 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.38 0.87 0.00 0.00 107 I 7.80 3.40 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.41 -0.20 0.00 0.00 108 L 7.67 4.00 0.00 1.87 1.73 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.02 3.83 0.00 1.95 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 2.35 2.55 0.00 110 F 7.40 2.97 0.00 2.41 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 0.00 111 I 7.57 3.32 1.95 0.00 0.00 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 1.62 0.82 0.93 0.00 0.00 112 L 7.84 3.98 0.00 1.62 1.57 0.94 1.11 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 0.00 113 S 7.55 4.31 0.00 4.09 4.18 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 0.00 114 I 6.80 3.95 1.84 0.00 0.00 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 0.54 -0.07 0.40 0.00 0.00 115 D 8.62 4.50 0.00 2.54 2.24 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 0.00 116 P 0.00 4.52 0.00 2.40 2.41 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 117 N 8.81 4.56 0.00 3.17 3.18 0.00 0.00 6.46 8.18 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 0.00 118 Y 7.29 3.42 0.00 1.53 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 0.00 0.00 0.00 0.00 119 Y 7.40 4.06 0.00 3.12 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.56 4.65 0.00 1.82 2.06 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.93 4.01 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 122 K 7.61 4.44 0.00 1.60 1.52 0.00 1.49 0.00 0.00 1.28 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.57 1.11 7.81 123 V 8.98 4.71 2.28 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 1.15 0.00 0.00 1.19 0.00 0.00 124 K 9.39 4.36 0.00 1.98 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 125 P 0.00 4.78 0.00 2.40 2.13 0.00 3.51 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 1.95 1.83 0.00 126 A 9.03 4.02 1.34 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 0.00 127 I 7.15 4.49 1.88 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 1.31 0.72 0.92 0.00 0.00 128 R 8.51 4.58 0.00 1.91 1.69 0.00 3.15 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 129 S 8.25 4.67 0.00 3.78 3.75 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 0.00 130 Y 8.28 4.64 0.00 2.88 2.79 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 0.00 131 K 8.71 4.58 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 132 K 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 181 C 8.17 4.92 0.00 3.13 2.98 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 0.00 182 P 0.00 4.52 0.00 2.15 2.09 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 183 R 8.66 4.06 0.00 1.86 2.19 0.00 3.44 0.00 0.00 3.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.70 0.00 184 E 8.02 4.41 0.00 2.09 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 0.00 2.35 2.50 0.00 185 I 7.61 4.93 2.18 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 1.12 0.00 0.00 186 L 8.49 3.20 0.00 1.60 1.55 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 187 T 8.90 5.07 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 188 K 9.04 5.72 0.00 1.75 1.75 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.24 7.81 189 I 8.19 5.13 1.79 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.91 0.00 0.00 190 C 9.01 5.40 0.00 2.86 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 0.00 191 L 8.34 4.79 0.00 1.21 1.33 0.31 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 192 F 8.73 4.95 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 4.44 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 1.21 0.00 0.00 194 R 8.55 4.99 0.00 2.19 2.08 0.00 3.38 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 195 P 0.00 4.64 0.00 2.26 2.18 0.00 3.94 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 2.04 2.11 0.00 196 A 8.11 4.61 0.78 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 0.00 0.00 197 S 8.49 4.21 0.00 3.96 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 0.00 198 Q 7.00 4.68 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 199 Y 9.65 4.58 0.00 2.91 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 0.00 200 L 8.23 4.63 0.00 1.02 1.15 0.79 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 201 F 8.01 5.02 0.00 2.82 2.26 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 0.00 202 P 0.00 4.47 0.00 2.51 2.11 0.00 4.36 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 203 D 9.16 4.60 0.00 3.13 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 S 8.32 4.70 0.00 3.99 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 0.00 205 S 7.98 4.31 0.00 3.98 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 0.00 206 K 7.77 4.07 0.00 1.98 1.96 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.55 7.81 207 N 8.08 4.59 0.00 2.67 2.64 0.00 0.00 7.04 7.07 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 0.00 208 S 8.63 4.26 0.00 3.89 3.90 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 0.00 209 K 7.99 4.13 0.00 1.77 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.32 7.81 210 K 7.60 3.81 0.00 1.64 1.71 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.29 7.81 211 H 8.62 4.58 0.00 3.03 3.17 0.00 5.96 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 7.82 4.14 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.90 0.00 0.00 213 L 8.02 4.11 0.00 1.43 1.47 0.29 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 214 N 8.99 4.78 0.00 2.99 2.94 0.00 0.00 6.71 6.54 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 0.00 215 G 8.42 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 0.00 216 E 8.10 4.03 0.00 1.92 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 0.00 2.24 2.38 0.00 217 E 8.64 4.16 0.00 2.14 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 2.32 2.44 0.00 218 L 8.03 4.40 0.00 1.87 1.87 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *220 K 8.03 4.48 0.00 2.04 1.94 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 1.37 7.81 221 W 8.58 4.07 0.00 3.46 3.29 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 0.00 222 W 8.83 4.39 0.00 3.65 3.34 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 0.00 223 G 8.34 3.73 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 0.00 0.00 0.00 224 F 8.52 3.95 0.00 3.30 3.08 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 0.00 0.00 0.00 0.00 225 I 7.69 3.72 2.04 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 1.21 0.11 0.96 0.00 0.00 226 L 8.44 4.05 0.00 2.08 1.90 1.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 227 D 8.61 4.67 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 R 7.97 3.91 0.00 1.92 2.09 0.00 3.01 0.00 0.00 2.78 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.62 0.00 229 L 8.20 4.05 0.00 1.86 1.87 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 230 L 7.93 3.82 0.00 1.59 0.64 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 231 I 7.51 3.93 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 1.65 0.69 0.95 0.00 0.00 232 E 8.40 4.25 0.00 2.10 2.04 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 2.36 2.36 0.00 233 C 8.56 4.75 0.00 3.17 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 7.82 5.19 0.00 2.96 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 0.00 235 Q 8.85 4.34 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 236 N 8.82 4.94 0.00 2.77 2.89 0.00 0.00 6.82 8.06 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 0.00 237 D 7.68 4.96 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 4.28 4.06 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 0.00 0.00 0.78 0.00 0.00 239 Q 8.77 4.17 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 240 A 8.28 4.40 -0.08 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 0.00 0.00 0.00 0.00 0.00 0.00 241 K 8.72 5.68 0.00 1.45 1.73 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.32 7.81 242 L 8.50 5.14 0.00 1.88 1.54 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 243 R 8.92 4.81 0.00 1.55 1.78 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.06 0.00 244 I 8.01 4.57 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 1.02 0.00 0.00 245 P 0.00 4.45 0.00 2.22 2.40 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 246 G 8.89 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 0.00 247 E 7.76 4.60 0.00 2.00 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 0.00 2.24 2.22 0.00 248 D 8.42 4.45 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 P 0.00 4.46 0.00 2.30 2.28 0.00 3.75 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 2.07 2.04 0.00 250 A 8.39 4.02 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 0.00 251 R 7.63 3.92 0.00 2.04 1.98 0.00 3.39 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 252 V 7.87 3.67 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 1.11 0.00 0.00 0.91 0.00 0.00 253 R 7.77 3.92 0.00 2.08 1.95 0.00 3.32 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 254 S 7.72 4.23 0.00 4.22 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 0.00 255 Y 7.57 4.24 0.00 3.02 3.16 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 0.00 256 L 7.45 3.32 0.00 1.72 1.61 1.00 0.42 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 0.00 257 R 7.48 4.14 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 258 G 7.49 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 *260 K 7.81 4.26 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 261 Y 8.78 4.25 0.00 3.03 3.15 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 0.00 262 P 0.00 4.48 0.00 1.98 2.00 0.00 2.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 263 L 5.87 4.67 0.00 1.10 1.58 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 264 W 8.40 4.57 0.00 3.10 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 0.00 265 Q 9.33 4.77 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 266 V 8.32 4.01 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 0.99 0.00 0.00 267 G 7.30 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 0.00 268 D 7.92 4.39 0.00 1.94 2.27 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 0.00 269 I 7.32 4.11 1.78 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 0.99 0.52 0.73 0.00 0.00 270 F 7.95 4.97 0.00 3.27 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 0.00 271 T 7.79 4.03 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 1.28 0.00 0.00 272 S 8.47 4.83 0.00 4.07 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 0.00 273 K 8.14 4.38 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 274 E 7.85 4.20 0.00 2.15 1.98 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 2.37 2.27 0.00 275 N 8.20 4.35 0.00 2.86 2.89 0.00 0.00 7.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 276 S 8.32 4.42 0.00 4.10 4.13 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 0.00 277 L 7.84 4.37 0.00 1.91 1.65 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 278 A 8.84 3.76 0.94 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 0.00 279 V 7.37 3.36 1.70 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 -0.14 0.00 0.00 0.53 0.00 0.00 280 Y 7.12 4.80 0.00 2.96 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 0.00 281 N 7.50 4.84 0.00 2.59 2.85 0.00 0.00 7.07 7.45 0.00 0.00 0.00 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0.00 0.00 0.70 1.74 0.00 *291 A 8.18 4.15 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 0.00 292 R 8.05 3.87 0.00 2.10 2.25 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 293 F 8.27 4.31 0.00 3.23 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 0.00 294 I 7.87 3.58 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 0.72 0.00 0.00 295 H 8.39 4.03 0.00 3.23 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 296 Q 8.12 4.01 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 297 L 7.58 3.70 0.00 1.61 1.47 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 298 A 8.06 3.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 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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 0.00 0.00 342 L 7.91 4.10 0.00 1.74 1.47 1.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 343 F 8.68 4.42 0.00 3.00 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 0.00 344 P 0.00 4.35 0.00 1.72 2.14 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.74 0.00 345 S 9.00 4.64 0.00 4.14 4.10 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 0.00 346 S 8.82 4.53 0.00 4.10 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 0.00 347 A 7.96 4.20 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 0.00 348 D 7.93 4.54 0.00 3.11 2.97 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 0.00 349 V 7.71 4.95 2.26 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 2.65 2.81 0.00 358 F 8.38 3.99 0.00 3.20 3.20 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 0.00 359 R 8.32 3.82 0.00 2.10 1.90 0.00 3.22 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 360 A 7.91 3.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 361 I 7.16 3.32 1.65 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.32 0.86 0.00 0.00 362 K 7.41 3.46 0.00 0.83 1.21 0.00 0.96 0.00 0.00 1.24 0.00 0.00 2.53 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.75 0.21 7.81 363 K 7.66 3.95 0.00 1.74 1.63 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.24 7.81 364 Y 7.00 4.60 0.00 3.17 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 0.00 365 I 7.62 4.40 2.05 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.16 0.97 0.00 0.00 366 T 7.58 4.41 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 1.08 0.00 0.00 367 G 8.36 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 0.00 368 E 7.75 4.28 0.00 2.16 1.99 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 2.17 1.55 0.00 369 E 8.23 4.60 0.00 1.96 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 2.33 2.26 0.00 370 Y 8.99 4.57 0.00 3.34 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 371 D 8.37 4.81 0.00 2.85 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 0.00 372 T 7.52 4.83 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 1.23 0.00 0.00 373 E 8.42 2.54 0.00 1.81 1.81 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 0.00 2.20 2.20 0.00 374 E 7.71 4.03 0.00 2.02 1.93 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 2.27 2.27 0.00 375 G 8.06 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 0.00 0.00 0.00 376 A 7.61 4.45 1.45 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 0.00 0.00 0.00 377 I 7.73 4.04 1.99 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 1.39 1.38 0.97 0.00 0.00 378 E 8.59 3.96 0.00 2.06 2.01 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 2.39 2.31 0.00 379 A 8.17 4.24 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 0.00 0.00 0.00 0.00 0.00 380 F 8.58 4.24 0.00 3.52 3.45 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 0.00 381 T 8.12 3.49 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 1.40 0.00 0.00 382 N 8.23 3.94 0.00 2.41 1.42 0.00 0.00 7.01 8.20 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 0.00 383 I 7.54 3.69 1.88 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.41 0.96 0.00 0.00 384 R 7.65 3.75 0.00 1.69 1.48 0.00 2.21 0.00 0.00 2.72 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.00 385 D 7.88 4.21 0.00 2.78 2.67 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 0.00 386 F 8.20 3.89 0.00 3.36 3.26 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 0.00 387 L 8.17 4.11 0.00 1.76 1.88 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 388 L 7.91 4.00 0.00 1.73 1.65 0.89 0.50 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 0.00 389 L 7.91 4.00 0.00 1.63 1.58 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 390 R 7.68 4.06 0.00 1.20 1.60 0.00 3.10 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 *392 A 7.70 4.31 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 0.00 393 T 7.89 4.65 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 1.30 0.00 0.00 394 N 8.33 4.88 0.00 2.71 2.68 0.00 0.00 7.00 7.85 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 0.00 395 L 7.95 4.12 0.00 1.54 1.50 0.29 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 396 Q 7.85 4.26 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.05 2.37 0.00 397 S 8.53 5.40 0.00 3.91 3.88 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 0.00 398 L 8.98 5.02 0.00 1.86 1.73 1.23 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 399 T 8.59 5.12 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 1.32 0.00 0.00 400 G 9.46 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 401 K 9.01 4.69 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 402 R 8.21 4.17 0.00 2.06 1.86 0.00 3.06 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 403 E 8.75 4.38 0.00 1.86 1.83 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 2.28 2.26 0.00 404 H 8.39 4.49 0.00 3.14 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.