NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2943 7.8676 118.5692 59.6649 38.6129 177.5690 5 V 3.4452 7.9613 118.6539 64.9409 31.3803 176.8402 6 A 4.0557 7.8581 122.2477 53.9002 19.2817 179.0953 7 S 4.6075 7.5867 108.6687 58.6164 63.6853 174.2537 8 T 4.6039 7.5856 119.9499 62.5844 70.9935 174.2549 9 Q 4.1644 8.3978 125.5678 56.3857 28.9138 173.4357 10 L 4.9178 7.2659 118.5071 51.5036 45.4525 174.8292 11 P 4.6421 0.0000 0.0000 63.5150 32.0856 175.8555 12 N 4.7800 9.3512 121.5507 53.5976 39.8294 174.3907 13 T 4.9393 8.9388 112.7593 59.1518 72.8913 174.8771 14 I 3.6403 8.5689 121.5589 64.6446 37.0108 178.7333 15 K 3.9922 7.9849 118.7615 59.7477 31.9147 179.4234 16 T 3.9733 7.9696 110.0755 64.7178 68.7526 176.8682 17 I 3.6980 8.0573 123.1990 64.3230 37.1664 178.4218 18 T 3.9473 8.0376 110.6764 64.7185 68.4062 176.3179 19 N 4.2675 7.9920 119.0902 56.3761 38.7783 176.9913 20 D 4.3717 8.2857 120.5161 57.4008 40.8871 179.0208 21 L 3.9647 8.2491 119.8152 57.9409 41.5326 179.7690 22 R 4.4850 7.9146 118.9838 58.0106 29.7787 178.9897 23 K 3.9354 7.7714 119.2810 59.3745 32.3013 178.3991 24 L 4.1462 7.4609 119.2305 56.7878 42.1137 176.3511 25 G 3.5321 7.2909 105.8630 44.7401 0.0000 174.1821 26 L 3.9320 7.9013 122.3028 54.8951 42.0877 176.3326 27 K 4.6917 7.8771 119.7547 55.1516 35.3613 175.1990 28 K 4.1791 7.8213 119.8306 57.6606 32.7308 176.7745 29 G 3.7146 8.5385 114.4710 46.0884 0.0000 174.1124 *31 T 4.5149 7.4742 113.8784 63.3334 70.8491 175.4605 32 V 4.9812 8.8002 126.2136 60.2167 35.0452 173.8687 33 I 4.6632 8.7496 126.2411 59.8898 39.4401 174.3090 34 V 4.7987 8.4860 129.3192 61.3520 34.1335 174.2989 35 H 5.0747 9.0902 124.2351 54.0370 32.1080 172.7113 36 S 5.0544 8.6136 116.1941 56.9884 66.6601 173.2924 37 S 4.5147 8.5898 116.1116 56.4279 64.0471 174.1915 38 L 3.9008 8.8573 129.7076 58.5022 42.0086 178.9756 39 S 4.1952 8.0981 113.4563 61.2472 62.7485 176.2104 40 S 4.2358 7.9777 117.4807 60.9877 62.7807 176.3684 41 I 4.0155 7.7622 123.9762 64.5056 37.0415 174.5641 42 G 3.8334 7.9801 103.8549 43.4072 0.0000 171.8929 43 W 4.2656 8.7745 130.9275 57.0515 32.1394 176.6432 44 I 4.7597 7.2752 127.5976 59.1796 39.7818 174.7229 45 S 3.6702 8.8764 123.0717 62.0388 61.8101 173.7816 46 G 3.9979 9.4262 115.3549 44.1897 0.0000 173.6911 47 G 3.5154 7.4265 108.9217 46.0969 0.0000 176.3869 48 A 3.9406 8.5852 124.1585 55.0166 17.9830 179.6847 49 V 3.6408 7.6937 116.1200 66.0317 31.5842 178.1573 50 A 4.0918 7.9602 120.7113 54.7501 18.1930 179.8136 51 V 3.4840 7.4449 116.5572 65.8412 31.5108 178.3393 52 V 3.3291 7.5055 116.9757 66.0045 31.4609 177.4946 53 E 3.9391 8.2326 117.1397 59.3145 29.5867 179.0191 54 A 4.1385 7.8494 120.6641 54.9176 18.3365 180.1183 55 L 3.7604 7.5687 113.8103 55.8627 41.3224 178.6972 *57 E 4.1975 8.0587 121.6038 56.3454 31.4126 177.3735 58 V 3.7452 7.9325 118.2137 66.0862 32.0548 178.1777 59 I 3.7635 8.2295 121.1094 63.0944 37.2648 177.4674 60 T 4.0797 8.1112 111.4375 60.4765 68.8501 172.2929 61 E 3.3884 8.7197 119.4227 58.6899 29.4339 178.4150 62 E 4.0588 8.0344 117.5846 57.7090 30.1432 176.2222 63 G 4.3381 7.6735 106.5207 45.0635 0.0000 172.2780 64 T 5.3880 8.2885 114.6466 62.1600 73.1164 173.1104 65 I 4.8910 9.3228 127.3551 59.8987 39.7202 175.0313 66 I 5.6602 8.8217 127.3702 57.8022 41.3175 172.3170 *68 P 4.0811 0.0000 0.0000 62.4141 32.1051 176.7207 69 T 4.7734 7.9857 111.7379 60.9873 68.0536 174.3622 70 Q 4.2472 8.0061 120.4675 56.7997 30.5230 178.0538 71 S 5.0427 8.4868 115.6129 57.0318 63.0344 175.1945 72 S 4.3657 7.8260 116.6567 60.8563 63.5663 175.9627 73 D 4.5091 7.9568 119.4447 54.2933 39.4574 176.6444 74 L 4.5572 7.8625 119.5820 55.5201 42.1219 176.8837 75 S 4.9056 7.9618 113.4103 56.4545 64.5000 173.1445 76 D 4.5129 8.5751 120.4964 53.4524 41.3404 174.6496 77 P 2.0000 0.0000 0.0000 62.5980 31.4957 177.8499 78 K 2.0000 6.8499 118.2316 58.1345 32.4703 177.2549 79 H 4.6593 6.9301 114.7621 55.2343 29.4896 174.5929 80 W 4.6362 7.6595 121.3773 56.5750 28.7110 176.0969 81 S 4.6767 8.3378 117.0305 57.2577 63.2681 174.2476 82 R 4.2606 7.4816 112.1603 55.4049 29.7098 172.3317 83 P 4.6125 0.0000 0.0000 61.1368 32.7051 174.0608 84 P 5.0094 0.0000 0.0000 62.1708 32.7114 175.3482 85 V 4.3241 8.0983 110.8134 58.3291 35.3012 174.0965 86 P 3.9484 0.0000 0.0000 62.9975 31.7308 177.5037 87 E 2.0000 8.1195 121.7443 58.1528 29.1634 178.8705 88 E 3.9816 7.7083 116.3626 58.6164 30.0725 178.3631 89 W 4.5082 8.2833 119.6585 58.2752 29.1724 178.4301 90 W 4.2501 7.9625 120.0059 59.9843 28.5055 178.1904 91 Q 3.9044 8.1161 118.9205 58.9420 28.6752 177.9225 92 I 3.6483 7.6915 120.6382 64.2703 37.1588 178.2697 93 I 3.8021 7.6941 120.5848 64.5542 36.7606 178.8087 94 R 2.5521 7.2318 117.4094 58.5581 29.7445 178.2721 95 D 4.5297 7.7570 116.9491 55.6709 41.1085 176.8109 96 N 4.9891 7.4744 112.6015 52.6005 41.1599 175.4547 97 V 3.8528 7.8548 118.3529 60.7908 31.9702 174.3890 98 P 4.5108 0.0000 0.0000 62.0222 32.1863 175.8097 99 A 4.3330 8.5031 121.7830 52.3069 18.9635 177.2131 100 F 4.3517 8.9218 124.1780 58.6056 40.3337 174.5626 101 E 4.4050 8.4786 124.7966 53.7995 33.0108 174.7910 102 P 3.7298 0.0000 0.0000 65.8698 31.4219 176.9307 103 H 4.5466 8.1449 111.1900 56.1968 29.0723 174.9464 104 I 4.1936 7.5837 119.2529 63.2725 39.2088 176.3111 105 T 3.9399 7.4619 116.0654 62.8600 68.5643 172.7845 106 P 4.4896 0.0000 0.0000 62.2670 32.1356 176.2442 107 T 4.5011 8.6761 114.0808 61.8315 69.8471 174.9490 108 R 4.4127 8.0963 119.4091 55.3939 33.3441 174.5691 109 A 3.3942 8.5329 124.6266 52.2173 15.1553 176.5465 *111 G 3.7688 7.2843 109.3780 43.6751 0.0000 171.7377 112 K 4.0812 8.2733 118.8177 59.1255 31.8915 180.0193 113 V 3.5666 7.6861 118.4324 65.7460 31.4359 178.1196 114 V 3.6432 7.6681 117.5109 66.2146 31.3180 177.6475 115 E 3.9933 7.9888 116.9242 59.5271 29.5275 178.7931 116 C 4.3239 8.1780 118.7400 62.3614 31.6519 175.2479 117 F 4.1457 8.5168 122.5679 61.5062 38.7665 176.8786 118 R 3.7933 8.2608 117.4724 59.1442 29.8140 177.4302 119 T 4.3363 7.5620 106.8769 61.2007 70.2208 174.7314 120 Y 4.0418 7.6076 121.3969 56.7394 38.5910 173.4695 121 P 4.3809 0.0000 0.0000 64.8116 31.4118 176.2037 122 N 4.3786 8.9853 117.2217 53.5140 36.2628 174.1580 123 V 4.2017 7.6136 118.7969 62.6708 32.4310 175.7112 124 V 4.6019 8.8543 120.5031 59.4890 35.0431 174.4441 125 R 5.2981 8.4640 123.9322 54.3195 32.4549 175.4379 126 S 4.5093 9.5426 121.2763 58.6078 64.2970 174.2265 127 N 5.0055 8.6533 119.8351 51.8798 37.3432 171.7003 128 H 4.4607 7.5300 120.6545 52.8986 33.1195 172.3639 129 P 3.3489 0.0000 0.0000 64.2731 31.9254 176.6863 130 L 4.7365 7.6433 118.8228 54.5453 44.9005 177.7796 131 G 4.4335 7.8310 104.9733 45.5285 0.0000 173.6167 132 S 4.8400 8.0134 113.9557 58.0594 65.0498 173.1154 133 F 5.3201 9.6179 118.7435 55.7255 43.2366 173.9635 134 A 5.5506 8.8601 121.4044 50.5347 22.4466 174.9801 135 A 5.5553 9.3365 120.7147 50.5703 23.4962 175.1575 136 W 5.0707 10.0425 129.4489 56.9910 34.6310 173.5954 137 G 3.3440 8.1676 110.7148 43.8539 0.0000 174.4243 138 R 3.6517 8.3803 119.9320 59.4249 30.3652 178.9213 139 H 4.8719 8.2073 112.7931 55.3834 28.9955 176.1085 140 A 4.0600 7.6788 125.4177 55.6414 18.1415 180.6061 141 E 3.9284 8.0405 116.1574 59.5601 29.5062 178.7923 142 E 3.9440 8.1820 117.4654 59.6640 29.5642 178.5580 143 I 3.9095 8.0826 119.8498 63.7489 36.9985 177.7354 144 T 4.2963 7.3375 108.7344 61.7601 69.5757 175.7440 145 V 3.8706 7.3588 115.7098 61.9270 32.3466 175.2959 146 N 4.5070 8.7349 116.6555 54.0192 36.1282 174.7857 147 Q 4.6364 7.3211 117.4944 55.5300 30.0845 175.8249 148 S 4.2275 8.4611 119.5036 58.0543 63.0014 174.0605 149 L 3.7983 8.0563 128.5285 58.1723 42.2353 179.0012 150 S 5.5448 7.6914 118.4694 58.2678 60.4254 173.7016 *152 S 4.7045 7.9576 117.5262 57.5146 64.8320 175.6599 153 L 4.7311 8.1860 118.6535 54.2660 42.4090 177.6005 154 G 4.1141 7.7030 113.7777 45.8102 0.0000 175.8000 155 E 4.0560 8.8319 120.0040 58.3501 30.1809 177.1376 156 E 4.6151 8.0858 118.5096 55.9531 30.3805 175.3535 157 S 5.1006 7.4070 113.3805 55.4326 65.8826 173.0470 158 P 4.3153 0.0000 0.0000 64.7411 30.6474 178.9759 159 L 3.8471 7.1878 118.2637 57.7269 41.4308 179.4473 160 R 3.9069 7.7983 118.1580 59.1732 29.7382 178.7573 161 K 3.9854 7.7220 117.3262 59.3159 32.4395 178.9235 162 I 3.8288 7.8207 120.1295 64.3913 37.0431 177.5400 163 Y 4.3686 7.9632 121.7038 60.3622 38.3809 178.2729 164 D 4.5174 8.4557 118.0631 56.6748 40.9673 177.8025 165 L 4.3011 7.6548 117.0842 53.3643 42.5695 175.5427 166 D 4.0631 7.9776 117.6649 55.0020 40.0549 173.2192 167 G 4.0123 7.6979 104.7662 46.3418 0.0000 172.5527 168 Y 5.0876 9.1702 117.2528 56.1688 41.4842 175.2767 169 I 5.0179 8.3278 121.4793 59.4952 40.5974 174.1089 170 L 5.1582 8.9739 129.2130 53.2717 44.6559 174.7382 171 L 4.8667 8.9680 127.1636 53.3918 43.8844 175.6768 172 I 4.3767 8.9785 126.5706 59.6015 38.1710 175.9918 173 G 4.1767 8.7567 113.5591 46.2724 0.0000 171.5370 174 V 4.4570 7.4324 110.8692 59.0981 35.6054 175.1320 175 G 4.0629 8.1218 110.1333 44.2408 0.0000 174.5251 176 Y 3.9241 8.5378 116.2921 60.3782 37.8837 178.4060 177 D 4.6046 8.2003 117.9516 55.2491 39.7778 176.9135 178 S 4.5316 8.0275 115.1984 58.5960 63.5234 174.7342 179 N 4.4134 7.9149 121.5015 52.0147 37.2544 174.9118 180 T 4.0545 8.1031 120.1551 66.6574 68.8076 175.4009 181 S 4.1706 8.2862 116.1205 61.5562 62.9325 176.4051 182 V 3.5467 7.7395 119.9593 64.9251 31.1452 177.4571 183 H 4.8176 8.4243 117.5817 58.6656 28.4480 177.2079 184 L 4.0859 8.1934 122.4609 57.9465 41.6655 179.2557 185 S 4.4649 7.8259 116.2638 61.1301 62.6003 176.1186 186 E 3.5427 8.1030 120.8868 59.2390 29.1399 179.6658 187 V 3.6297 7.9270 118.0865 66.2884 31.4779 178.4539 188 R 3.9953 8.0327 116.5067 58.5393 29.9685 178.2991 189 S 4.5605 8.0385 112.0202 57.3121 63.8253 174.0195 190 G 3.8276 7.8110 110.7849 46.7231 0.0000 175.3030 191 A 3.7623 7.9944 122.1867 53.2581 18.9495 178.2674 192 C 4.8483 6.9958 112.6711 57.1880 31.2321 173.9989 193 E 4.0075 8.5759 122.6271 56.5874 29.6602 176.9088 194 L 4.4570 8.2421 122.9909 54.7112 42.6041 176.3378 195 I 4.6578 9.2792 118.9458 59.4792 41.5218 175.0515 196 K 4.7151 8.5567 127.0203 54.8446 32.5152 177.1446 197 V 4.4766 8.7144 119.0859 58.9245 35.6334 174.5301 198 G 4.1418 7.5846 105.4124 45.8683 0.0000 172.0493 199 A 3.9072 7.0677 120.3051 50.1085 23.5434 173.5143 200 P 5.2004 0.0000 0.0000 61.8108 33.4793 174.9217 201 I 5.1007 8.7588 116.5643 59.1218 41.9481 173.9598 202 I 4.7974 8.3331 123.0885 60.1844 38.1020 175.6162 203 E 4.5373 9.1036 127.2176 55.4855 32.1990 175.9047 204 N 4.2729 9.8003 121.4748 54.4780 36.0770 175.3759 205 G 3.9820 8.5877 103.6704 45.6771 0.0000 173.7061 206 E 4.8434 7.9331 118.4571 53.7840 33.9414 175.2135 207 R 4.5564 8.6507 122.9454 56.7419 30.8846 175.9143 208 V 4.5501 9.1054 126.0916 60.8250 35.2930 173.9040 209 W 4.7902 9.0830 135.0000 56.8826 31.3069 174.8348 210 K 4.4821 8.6388 130.0903 54.8266 33.5871 174.6918 211 E 4.9405 8.7811 127.4004 55.5452 30.9415 175.4648 212 F 4.9331 8.6770 118.8939 56.0217 41.9719 172.5454 213 V 4.8409 8.5692 117.4149 60.4916 34.3922 172.5917 214 D 4.3332 8.8126 129.8847 53.6980 46.8065 176.5298 *216 D 4.5166 8.6507 108.3392 53.6413 40.4004 172.8250 217 Y 4.3177 7.5488 117.8662 58.0466 38.8820 176.2311 218 D 4.4896 9.8801 123.6533 52.7552 42.8546 175.1796 219 S 2.0000 8.1865 121.4957 58.5974 63.7814 175.9470 220 D 4.3290 7.8109 121.3700 57.5939 40.7100 177.9646 221 K 4.3399 7.9393 116.4235 57.9742 32.7335 178.7929 222 F 4.4394 8.7997 119.0383 59.9418 38.7266 177.8021 223 V 3.5848 7.7882 117.8743 66.0676 31.2207 177.2504 224 E 3.9050 8.2075 118.5032 59.5751 29.2407 178.8009 225 I 2.9791 6.9028 118.3127 63.9499 36.7845 178.7099 226 G 2.3069 7.3586 105.6408 46.9482 0.0000 175.7452 227 V 3.5721 7.2230 120.0046 65.8215 31.6334 177.5984 228 E 4.0409 7.7009 118.6880 59.4738 29.4121 178.5561 229 F 2.9285 7.8722 120.6123 60.6636 39.1384 176.0850 230 E 3.8075 7.6190 116.1354 57.1084 29.2498 178.4747 231 Q 3.9797 7.6729 121.1566 59.0961 28.8396 178.6572 232 K 4.0532 7.2308 124.1625 57.6427 31.5792 181.4852 233 G 3.9508 7.3033 105.6965 46.5457 0.0000 173.6335 234 T 4.3830 7.4237 106.5682 60.7540 69.0357 173.6500 235 V 4.5442 7.4385 121.5078 62.1222 33.6025 175.4335 236 T 4.2703 8.9826 125.1966 62.5806 71.2005 173.7229 *238 G 3.9152 8.1461 108.6962 46.4118 0.0000 171.4869 239 K 5.1235 8.5390 117.8846 54.4715 34.7309 176.1381 240 I 4.5113 8.5177 124.1171 60.0829 39.4091 177.0388 241 G 3.8856 8.4418 117.5554 47.1031 0.0000 174.6844 242 N 4.5301 9.3149 122.5512 53.4435 38.9355 174.5706 243 A 4.2463 8.2569 122.9186 51.0786 19.9190 176.7261 244 K 4.2984 8.7650 124.9194 56.7146 33.1930 175.4159 245 C 5.4140 9.3022 125.5470 58.0658 31.3288 173.7469 246 R 4.9259 8.7824 119.7648 54.4205 33.6214 174.2532 247 L 5.7280 9.0027 124.9572 52.2393 45.5036 175.3916 *249 K 4.0276 8.3558 121.9863 55.9434 33.5455 176.8097 250 Q 3.9378 8.8194 125.1335 59.4226 28.8337 178.9425 251 R 3.7373 7.6109 118.5803 58.9560 30.1787 178.5080 252 D 4.3804 7.8770 118.3177 57.5505 40.9457 178.5491 253 I 2.7407 7.1974 118.2809 63.3589 37.8685 178.0850 254 V 3.6949 7.7349 120.6114 65.3901 31.4140 177.7725 255 D 4.4091 8.4939 118.9766 57.4709 40.7281 178.4823 256 F 4.1973 8.2023 120.9473 61.2658 39.2513 177.4353 257 G 3.5023 8.2388 105.3782 47.9732 0.0000 175.9010 258 T 4.1378 8.1453 120.7796 66.9958 68.2745 177.2405 259 E 3.9319 7.9279 118.8566 60.8081 30.0416 180.1578 260 W 4.2131 8.0974 130.1895 60.4991 30.6286 178.1284 261 F 4.5324 8.6519 117.7899 60.6953 38.1112 177.9443 262 R 4.0341 7.7156 116.5918 58.8668 29.9485 178.3880 263 K 4.0968 7.7599 117.6638 56.4363 32.3268 177.8057 264 K 4.0310 7.5679 126.3697 54.9321 32.1663 180.1449 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 4 I 7.87 4.29 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 1.47 0.64 0.91 0.00 0.00 5 V 7.96 3.45 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 0.64 0.00 0.00 0.77 0.00 0.00 6 A 7.86 4.06 1.31 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 0.00 0.00 0.00 7 S 7.59 4.61 0.00 3.97 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 8 T 7.59 4.60 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 1.32 0.00 0.00 9 Q 8.40 4.16 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 10 L 7.27 4.92 0.00 1.59 1.56 0.92 0.98 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 11 P 0.00 4.64 0.00 2.12 2.51 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 12 N 9.35 4.78 0.00 2.87 2.75 0.00 0.00 6.37 6.67 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 13 T 8.94 4.94 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 1.34 0.00 0.00 14 I 8.57 3.64 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 1.81 0.84 0.89 0.00 0.00 15 K 7.98 3.99 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 16 T 7.97 3.97 4.25 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 0.00 0.00 0.00 1.23 0.00 0.00 17 I 8.06 3.70 1.96 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 1.55 0.64 0.86 0.00 0.00 18 T 8.04 3.95 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 1.39 0.00 0.00 19 N 7.99 4.27 0.00 2.98 2.90 0.00 0.00 6.96 8.03 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 20 D 8.29 4.37 0.00 2.81 2.80 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 0.00 0.00 0.00 21 L 8.25 3.96 0.00 1.78 1.66 0.85 0.82 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 22 R 7.91 4.48 0.00 1.87 1.95 0.00 3.12 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 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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 1.56 0.76 0.86 0.00 0.00 144 T 7.34 4.30 4.39 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 1.36 0.00 0.00 145 V 7.36 3.87 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 0.86 0.00 0.00 1.02 0.00 0.00 146 N 8.73 4.51 0.00 2.83 2.87 0.00 0.00 6.90 7.69 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 0.00 147 Q 7.32 4.64 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 148 S 8.46 4.23 0.00 4.03 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 0.00 149 L 8.06 3.80 0.00 1.34 1.35 0.07 0.55 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 0.00 150 S 7.69 5.54 0.00 3.95 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 0.00 *152 S 7.96 4.70 0.00 3.65 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.10 3.54 0.00 2.40 1.95 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 2.05 2.59 0.00 187 V 7.93 3.63 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 1.06 0.00 0.00 1.19 0.00 0.00 188 R 8.03 4.00 0.00 1.83 1.96 0.00 3.08 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 189 S 8.04 4.56 0.00 4.16 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 0.00 190 G 7.81 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 0.00 191 A 7.99 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 C 7.00 4.85 0.00 2.59 2.65 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 0.00 193 E 8.58 4.01 0.00 1.89 1.84 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 2.28 2.26 0.00 194 L 8.24 4.46 0.00 1.46 1.54 0.86 0.75 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 0.00 195 I 9.28 4.66 1.73 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 0.99 0.80 0.82 0.00 0.00 196 K 8.56 4.72 0.00 1.56 1.65 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.03 7.81 197 V 8.71 4.48 1.68 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 0.45 0.00 0.00 -0.31 0.00 0.00 198 G 7.58 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 199 A 7.07 3.91 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 0.00 200 P 0.00 5.20 0.00 2.37 2.56 0.00 3.67 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 201 I 8.76 5.10 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.81 0.00 0.00 202 I 8.33 4.80 1.91 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 1.38 0.88 0.93 0.00 0.00 203 E 9.10 4.54 0.00 1.94 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 2.21 2.23 0.00 204 N 9.80 4.27 0.00 2.88 2.91 0.00 0.00 7.19 7.65 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 0.00 205 G 8.59 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 0.00 206 E 7.93 4.84 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 2.23 2.23 0.00 207 R 8.65 4.56 0.00 1.88 1.90 0.00 3.26 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 208 V 9.11 4.55 2.12 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 1.03 0.00 0.00 1.01 0.00 0.00 209 W 9.08 4.79 0.00 3.51 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 0.00 210 K 8.64 4.48 0.00 1.76 1.58 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.46 7.81 211 E 8.78 4.94 0.00 1.95 1.91 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 2.45 2.45 0.00 212 F 8.68 4.93 0.00 3.05 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 0.00 213 V 8.57 4.84 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 0.92 0.00 0.00 0.93 0.00 0.00 214 D 8.81 4.33 0.00 2.80 1.69 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 *216 D 8.65 4.52 0.00 2.66 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 0.00 217 Y 7.55 4.32 0.00 2.94 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 0.00 218 D 9.88 4.49 0.00 2.51 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 0.00 219 S 8.19 2.00 0.00 3.54 3.52 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 0.00 220 D 7.81 4.33 0.00 2.87 2.80 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 0.00 0.00 0.00 221 K 7.94 4.34 0.00 2.32 2.11 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.03 7.81 222 F 8.80 4.44 0.00 3.08 3.17 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 0.00 223 V 7.79 3.58 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 1.06 0.00 0.00 0.99 0.00 0.00 224 E 8.21 3.91 0.00 2.11 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 2.54 2.52 0.00 225 I 6.90 2.98 1.46 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.48 0.00 0.00 226 G 7.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.22 3.57 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 0.96 0.00 0.00 0.89 0.00 0.00 228 E 7.70 4.04 0.00 2.23 2.30 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 2.67 2.68 0.00 229 F 7.87 2.93 0.00 2.10 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 0.00 230 E 7.62 3.81 0.00 2.13 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 2.16 2.42 0.00 231 Q 7.67 3.98 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 232 K 7.23 4.05 0.00 1.82 1.73 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.33 7.81 233 G 7.30 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 0.00 234 T 7.42 4.38 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 1.15 0.00 0.00 235 V 7.44 4.54 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 0.97 0.00 0.00 0.98 0.00 0.00 236 T 8.98 4.27 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 1.27 0.00 0.00 *238 G 8.15 3.92 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 0.00 0.00 0.00 239 K 8.54 5.12 0.00 1.71 1.90 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 240 I 8.52 4.51 1.84 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 1.20 0.63 0.88 0.00 0.00 241 G 8.44 3.89 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 0.00 0.00 0.00 242 N 9.31 4.53 0.00 2.95 2.88 0.00 0.00 6.95 8.01 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 0.00 243 A 8.26 4.25 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 0.00 244 K 8.77 4.30 0.00 1.85 1.71 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.47 7.81 245 C 9.30 5.41 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 0.00 246 R 8.78 4.93 0.00 1.62 1.75 0.00 2.95 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 247 L 9.00 5.73 0.00 1.68 1.50 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *249 K 8.36 4.03 0.00 1.92 1.55 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.18 7.81 250 Q 8.82 3.94 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 251 R 7.61 3.74 0.00 1.59 1.63 0.00 2.93 0.00 0.00 2.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 252 D 7.88 4.38 0.00 3.04 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 0.00 253 I 7.20 2.74 1.08 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.85 0.00 0.00 254 V 7.73 3.69 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.04 0.00 0.00 255 D 8.49 4.41 0.00 2.87 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 0.00 256 F 8.20 4.20 0.00 3.35 3.05 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 0.00 257 G 8.24 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 T 8.15 4.14 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 259 E 7.93 3.93 0.00 2.08 1.87 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 2.26 2.19 0.00 260 W 8.10 4.21 0.00 2.85 2.95 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 0.00 261 F 8.65 4.53 0.00 3.44 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 0.00 262 R 7.72 4.03 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 263 K 7.76 4.10 0.00 1.55 1.62 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.43 7.81 264 K 7.57 4.03 0.00 1.92 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.