NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0023 8.2548 109.1361 45.1939 0.0000 174.8400 *2 K 4.5021 8.4043 124.1030 56.5512 33.9198 174.6939 3 I 5.0174 9.5297 127.2836 59.4928 39.6498 174.6326 4 A 5.4525 9.1180 129.6199 50.3464 21.4445 175.0547 5 L 5.2336 8.9619 124.0613 53.5099 44.8797 175.4752 6 I 4.9848 8.8003 125.8412 60.0029 41.1895 174.0188 7 I 4.8238 8.6744 128.7629 59.3509 39.8320 175.9134 8 E 4.4687 8.6834 124.6975 54.6703 31.4874 176.7900 9 N 4.4309 8.6373 116.1957 55.6266 37.4623 177.6421 10 S 4.2082 8.7339 113.3187 60.4437 63.3347 174.8269 11 Q 4.5186 8.0550 117.6303 55.0639 30.0160 176.6626 12 A 4.0327 7.8300 123.6706 55.3385 18.4170 180.3448 13 A 4.0761 7.9820 117.0787 54.5864 18.7612 178.0933 14 K 4.3973 8.2566 114.5630 56.3769 32.7340 177.9400 15 N 4.1989 8.0947 119.6240 56.5391 38.6440 176.7240 16 A 4.0969 7.9105 121.9170 55.0280 18.5158 179.6716 17 V 3.5703 7.6739 116.3237 66.1599 31.7693 178.3386 18 V 3.6916 7.7449 118.0880 66.2782 31.2701 177.4835 19 H 4.2654 8.7911 118.4950 59.0868 29.6680 176.8555 20 E 3.8431 8.5070 121.0516 59.3495 29.0218 178.6221 21 A 4.1277 8.3105 120.8803 55.1373 18.3334 179.4543 22 L 3.7512 8.0892 119.1602 58.3862 42.2196 179.2987 23 T 3.8223 8.1444 110.0930 65.1128 68.5058 176.4518 24 T 3.8706 7.8533 117.7555 66.1822 67.3917 175.9235 25 V 4.0187 7.6182 118.2139 65.2694 32.0493 177.9572 26 A 4.2524 8.3461 120.8971 54.9511 18.1509 179.4168 27 E 4.1387 8.0911 118.3676 58.7761 29.4551 177.8797 28 P 3.6622 0.0000 0.0000 65.1313 31.4983 177.1484 29 L 4.2163 7.1778 113.8552 54.7295 41.9612 177.3435 30 G 3.7836 9.1645 108.9503 46.0252 0.0000 172.7916 31 H 5.0347 8.0509 118.6125 54.4696 31.7774 174.4648 32 K 4.5049 8.4443 123.0843 53.4402 34.4747 176.0436 33 V 4.8229 8.0570 124.5250 60.1915 33.9166 174.5684 34 F 4.6964 9.7788 126.6808 55.8126 41.6503 174.1746 35 N 4.9665 8.8395 124.1079 52.6154 38.6143 173.6680 36 Y 4.2635 8.9014 123.3963 57.5047 38.6803 176.8212 37 G 2.6759 7.8689 109.2410 44.7873 0.0000 174.4137 *39 Y 4.7198 8.2232 115.4452 57.7364 39.6510 175.4243 40 T 4.6715 8.0116 107.4787 60.0030 72.0355 173.9641 41 A 4.3194 8.5516 122.6043 53.2651 18.4541 177.7500 42 E 4.5491 8.1202 114.5809 55.7474 31.0432 176.2561 43 D 4.4642 7.5961 118.5870 54.7770 41.4227 177.3082 44 K 3.9339 8.8587 122.8548 59.1242 32.2539 177.0104 45 A 4.2981 7.8028 122.4054 51.2227 17.6602 176.0815 46 S 4.7589 8.2222 115.8757 58.0640 64.3314 173.1638 47 L 4.9831 8.3512 123.7038 53.1546 45.3481 175.8271 48 T 4.8864 8.2561 112.2320 59.8217 71.0847 174.1684 49 Y 4.2626 8.3397 119.0284 59.7080 38.5322 177.9500 50 V 3.7261 6.9408 118.7894 63.5183 31.2054 177.2215 *52 N 4.6533 8.3984 117.2998 52.8360 40.5496 177.1693 53 G 3.5451 7.8246 104.8869 47.4721 0.0000 175.6307 54 L 3.9053 7.8378 122.6360 57.8376 42.1777 178.7859 55 L 3.8745 7.8458 119.5915 58.1332 42.1017 178.4886 56 A 4.0413 8.2161 121.0466 55.2298 18.1590 179.8853 57 G 3.5364 7.8739 103.6646 47.5957 0.0000 176.2239 58 I 3.7321 7.4555 121.6099 64.3119 37.1599 178.5500 59 L 4.0463 7.9019 119.7012 57.8930 41.4570 179.6547 60 L 4.3158 7.8646 120.2350 57.2792 41.3784 179.2975 61 N 4.5186 8.3298 116.0374 55.7333 38.7975 176.9675 62 S 4.4863 8.2191 114.8282 58.6347 62.6468 175.9321 63 G 3.8564 7.6987 109.2818 45.4808 0.0000 175.1714 64 A 3.9431 7.9397 122.7841 53.4603 18.3452 178.3503 65 A 4.6423 7.3763 118.0128 50.8356 22.3128 176.1139 66 D 4.7677 8.8452 120.1038 55.5062 42.4593 176.9542 67 F 5.1048 8.0000 119.3352 56.8234 43.1693 172.9589 68 V 4.9450 8.3466 125.0459 61.0620 34.6726 174.1386 69 V 4.8800 9.4199 127.7395 61.7762 33.7245 173.3541 70 T 5.1946 9.1501 125.1703 61.5894 70.9973 172.1764 71 G 4.3194 8.9692 106.7312 44.5298 0.0000 172.0332 *73 G 3.9965 8.3284 107.6256 45.3002 0.0000 174.7491 74 T 4.1345 7.9042 107.1057 60.3001 69.7623 173.6001 75 G 3.3535 7.7315 109.8970 45.8164 0.0000 173.9677 *77 G 3.0818 7.7276 109.6589 45.5963 0.0000 174.7826 78 S 4.4703 7.0496 114.3963 58.4940 62.1440 176.5342 *80 L 4.1833 8.1373 121.7860 54.8872 43.6863 179.4068 81 A 3.8648 8.2425 119.9968 55.1467 18.0586 179.6128 82 A 3.9314 8.0643 118.4579 55.3063 18.5921 179.2403 83 N 4.4160 7.5357 112.4114 54.7777 38.8787 176.4782 84 A 4.1950 7.3871 122.8635 50.7634 19.5976 175.3413 *86 P 3.8683 0.0000 0.0000 64.8770 32.4837 177.5241 87 G 3.9205 8.4476 106.2365 45.9132 0.0000 173.4034 88 V 4.2265 6.9103 119.3326 61.0066 32.8817 175.1902 89 F 4.8821 9.3146 125.7667 55.8545 41.2765 172.5800 90 C 4.9811 9.3999 124.4186 57.5227 32.7567 173.4104 91 G 3.5084 8.4968 113.9918 45.0830 0.0000 172.1882 92 L 4.9983 8.1782 123.4316 53.4044 42.9182 175.3996 93 V 4.2524 7.9661 126.4598 61.5319 32.8962 174.4269 94 I 4.2152 8.7968 127.2773 62.5084 39.0192 175.6036 95 D 5.0255 8.2701 118.3839 50.4371 43.4949 174.8433 96 P 4.3340 0.0000 0.0000 65.5773 31.1980 179.2416 97 T 3.9205 7.9398 114.6880 66.5681 68.4386 176.1864 98 D 4.4154 9.2599 121.0706 57.3980 40.8727 178.8525 99 A 4.0688 8.0200 121.1554 55.1005 18.4288 179.4066 100 F 4.0817 8.4370 119.2348 61.5755 39.4796 177.4245 101 L 3.8741 8.1698 118.6201 57.5399 41.3845 179.1222 102 F 4.6056 7.9981 122.3117 60.8309 39.3145 177.4879 103 G 3.5426 8.1108 105.1670 47.4076 0.0000 175.6403 104 Q 3.9749 7.6139 119.9321 57.6447 28.7068 178.0603 105 I 3.9052 7.9857 119.6687 63.0841 37.7051 176.4659 106 N 4.3566 7.8193 116.1961 52.8773 40.2274 174.3204 107 D 4.0564 7.7476 116.5584 54.9787 39.7853 172.3297 108 G 3.9216 6.3553 108.0749 45.4383 0.0000 171.8647 109 N 5.0861 8.9144 113.4692 52.2072 38.7326 173.7576 110 A 4.5744 7.4380 119.9067 51.1688 22.9244 175.5338 111 I 4.9699 8.7242 112.1942 59.3470 41.5985 174.0879 112 S 5.4287 9.2861 118.2507 54.6947 66.4495 170.5955 *114 P 4.2247 0.0000 0.0000 62.9014 31.6557 175.8814 115 Y 4.2470 8.4424 119.6471 58.0935 38.8784 175.7182 116 S 4.4786 7.9285 113.6949 59.8305 65.3860 173.9953 117 K 4.1478 8.1004 121.3181 57.5151 31.9599 177.1319 118 G 3.8745 8.9611 114.1804 45.6771 0.0000 173.4545 119 F 4.4115 7.9680 122.8256 56.5380 39.0050 175.4814 120 G 4.0582 7.6078 122.9139 43.3651 0.0000 170.0739 121 W 4.6126 8.9271 122.5245 58.7219 29.5358 175.8236 122 A 3.7091 9.0510 123.1028 52.8459 16.0172 178.8502 123 A 3.7389 7.7494 120.9578 55.2560 17.5638 180.0220 124 E 4.1036 7.8785 115.2222 58.8462 29.9118 178.9048 125 L 4.0938 8.0105 120.8635 57.3381 41.7914 178.5174 126 N 4.2897 7.9605 116.6684 56.3120 38.8341 176.8140 127 L 3.6227 7.5764 120.5773 57.7970 41.7280 179.3943 128 Q 4.0367 7.5631 117.0341 59.1056 28.4066 178.6848 129 D 4.3361 7.7656 118.8171 57.3618 41.1573 178.8653 130 V 3.6771 7.8400 118.9683 66.2944 31.6005 177.7663 131 Y 4.1848 7.8437 116.6497 61.1514 36.9390 178.8333 132 R 4.0903 8.1635 119.1387 59.0698 29.8829 179.1853 133 K 4.3639 7.7562 117.7727 59.0590 32.1449 178.8942 134 L 4.1132 7.4230 117.9177 56.0580 41.7920 177.5269 135 F 5.0294 7.5652 114.5096 56.8731 39.4647 174.4710 136 D 4.6882 7.8770 121.0200 53.7058 43.4562 176.0308 137 G 4.0987 8.9627 111.9393 44.9600 0.0000 172.7393 138 E 4.0783 8.3807 118.6261 56.5023 29.9948 177.0177 139 R 4.4109 8.2979 120.2735 54.8982 32.4991 175.7792 140 G 3.9508 8.6682 104.9957 46.7658 0.0000 174.8180 141 L 4.0773 7.9207 118.1537 54.3185 42.0433 176.8813 142 G 4.1393 8.6746 108.5431 45.5717 0.0000 172.8185 143 Y 4.5262 7.9955 120.3458 55.4031 41.9595 173.1261 144 P 3.2649 0.0000 0.0000 62.3028 32.3664 178.2695 145 R 3.9989 8.0774 118.0216 58.8140 29.6095 179.9890 146 E 4.0349 8.0461 114.8838 59.4664 28.2182 177.8127 147 R 4.4394 7.9656 116.1013 55.7946 30.5015 177.8958 148 A 3.9964 7.6889 122.6571 55.5361 18.7624 179.8522 149 E 4.0726 8.2585 114.8959 59.8228 29.7978 179.7267 150 I 3.6366 7.1417 115.6324 62.6242 37.3482 177.5590 *152 R 4.1599 8.0387 122.8868 56.3793 31.7765 177.8163 153 K 3.9899 8.2201 117.2159 59.6286 32.0181 179.2175 154 N 4.3490 8.3894 116.8106 56.2157 38.3643 177.7515 155 R 3.9120 7.9303 119.4557 58.8945 30.1163 179.1578 156 G 3.5032 7.6958 105.7710 47.8403 0.0000 175.8012 157 I 3.6913 8.0176 123.0109 64.0984 37.1052 178.3342 158 L 4.1284 8.0748 121.0946 58.0538 41.8845 179.2059 159 R 4.0906 7.8754 118.2568 59.1443 29.7167 178.9413 160 E 3.9701 8.0944 117.7567 59.2028 29.8236 178.4949 161 L 4.1037 8.3437 120.8583 58.3958 42.1182 179.1312 162 K 4.3496 8.2693 120.4805 58.8763 31.8935 178.5253 163 D 4.5465 8.0238 118.4942 56.9581 40.7279 177.9763 164 A 4.2557 7.7672 120.7421 54.0953 18.9535 179.1073 165 S 4.3173 7.8754 112.1973 59.5779 63.9757 173.9250 166 C 4.7243 7.8460 119.4889 57.7667 29.4399 173.8366 167 R 4.3373 8.2436 122.8516 55.3645 31.6956 178.8963 168 D 4.7138 8.1905 117.6348 52.7861 38.8529 178.4681 *170 L 4.0952 8.6526 115.2441 55.1808 43.8575 178.7875 171 T 3.7867 7.8675 114.7603 66.5414 68.2146 176.7600 172 V 3.5040 7.7070 120.0594 66.0802 31.4005 178.2246 173 L 3.9631 7.5673 116.6655 57.3301 41.5104 178.9275 174 K 3.9344 7.7435 118.9190 57.1358 32.2408 178.1623 175 T 4.4423 7.2172 107.6579 60.7806 69.9154 175.0276 176 V 3.8668 7.0540 121.5571 60.4896 32.7373 175.7978 177 D 4.3591 8.3895 119.3968 54.6613 41.8975 176.7689 178 Q 4.1388 8.7211 126.0389 58.4348 28.9476 177.7136 179 D 4.4755 9.6393 120.9523 56.0850 40.9771 178.5350 180 L 3.8665 7.8926 120.9349 58.0303 42.1032 178.2331 181 L 3.9003 7.6713 118.8177 58.3166 42.0554 178.9577 182 R 3.9485 7.9874 117.7389 59.1184 29.9240 178.8611 183 A 3.9554 7.8409 119.9226 54.9440 18.0725 179.5674 184 A 3.9695 7.9338 119.0864 54.1174 18.5041 178.3547 185 I 3.6717 6.8975 108.8431 60.4559 37.5597 176.6763 186 A 4.2198 7.4463 122.0796 53.1310 18.2429 178.6165 187 G 3.9108 7.9294 108.3982 44.9953 0.0000 174.9102 188 E 3.4712 9.0294 123.7410 58.9830 29.5296 178.0792 189 K 4.4678 8.0381 116.0698 55.9866 33.2874 177.4407 190 F 4.0978 9.5035 123.7228 61.5058 39.2288 176.9043 191 A 4.2854 8.3521 119.7739 55.3313 18.1205 179.0220 192 E 3.9878 8.2974 116.3302 58.9741 29.7904 178.0878 193 L 4.4021 7.5079 117.6969 56.8846 42.5779 177.9455 194 F 3.9722 8.2381 121.4623 60.4011 39.2729 176.6395 195 Y 4.1881 7.9244 115.4353 60.9667 37.8317 177.2972 196 P 4.4239 0.0000 0.0000 64.3514 31.3186 176.5593 197 N 4.7065 8.1001 114.5657 53.2107 40.7003 174.4791 198 C 3.7616 6.7989 117.8298 59.3146 31.7780 173.2502 199 K 4.2799 8.8772 124.7903 56.0971 33.4440 176.2157 200 D 4.7706 7.6615 118.6054 52.4931 42.1914 175.7650 201 D 4.4572 8.5999 128.2131 57.2642 40.8620 178.3832 202 A 4.0312 8.1338 120.9050 55.1971 18.3299 179.6095 203 I 3.8779 8.9074 118.5115 64.3946 37.2800 178.3915 204 A 4.5399 8.3287 121.7097 55.5076 18.2466 179.4923 205 N 4.3819 9.1701 115.5057 56.4685 38.7003 177.0549 206 Y 4.0035 8.0841 120.9675 60.4226 38.9956 177.5985 207 L 4.2007 8.2844 120.1734 57.6761 41.4857 179.6526 208 R 4.0358 8.1942 118.0787 59.0396 30.1573 178.7987 209 S 4.1854 7.8038 112.4155 60.2594 62.9061 174.8301 210 L 4.1343 7.2410 127.0648 55.0642 41.5585 176.3210 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 0 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.50 0.00 1.88 1.82 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.76 1.58 7.81 3 I 9.53 5.02 1.73 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 0.83 0.66 0.87 0.00 0.00 4 A 9.12 5.45 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 5 L 8.96 5.23 0.00 1.86 1.60 0.99 0.79 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 6 I 8.80 4.98 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.95 0.00 0.00 7 I 8.67 4.82 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.85 0.00 0.00 8 E 8.68 4.47 0.00 2.42 2.35 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 2.46 2.59 0.00 9 N 8.64 4.43 0.00 3.01 3.21 0.00 0.00 7.18 7.61 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 10 S 8.73 4.21 0.00 4.01 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 11 Q 8.05 4.52 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 12 A 7.83 4.03 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 13 A 7.98 4.08 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 14 K 8.26 4.40 0.00 1.68 1.59 0.00 1.41 0.00 0.00 1.13 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.28 7.81 15 N 8.09 4.20 0.00 2.68 2.86 0.00 0.00 7.07 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 16 A 7.91 4.10 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 17 V 7.67 3.57 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 1.28 0.00 0.00 1.01 0.00 0.00 18 V 7.74 3.69 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 1.01 0.00 0.00 0.42 0.00 0.00 19 H 8.79 4.27 0.00 3.29 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.51 3.84 0.00 2.19 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 2.34 2.34 0.00 21 A 8.31 4.13 1.62 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 0.00 0.00 22 L 8.09 3.75 0.00 1.81 1.82 0.29 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.14 3.82 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 1.08 0.00 0.00 24 T 7.85 3.87 4.51 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 1.29 0.00 0.00 25 V 7.62 4.02 2.34 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 1.22 0.00 0.00 1.24 0.00 0.00 26 A 8.35 4.25 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 27 E 8.09 4.14 0.00 2.17 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 2.42 2.23 0.00 28 P 0.00 3.66 0.00 2.05 2.14 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 29 L 7.18 4.22 0.00 1.89 1.68 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.16 3.78 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 0.00 31 H 8.05 5.03 0.00 3.08 3.03 0.00 5.58 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.44 4.50 0.00 1.42 1.65 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 0.97 7.81 33 V 8.06 4.82 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 1.03 0.00 0.00 0.82 0.00 0.00 34 F 9.78 4.70 0.00 3.13 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 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0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.01 7.81 45 A 7.80 4.30 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 46 S 8.22 4.76 0.00 3.89 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 47 L 8.35 4.98 0.00 1.58 1.49 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.26 4.89 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 1.12 0.00 0.00 49 Y 8.34 4.26 0.00 3.14 3.24 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 50 V 6.94 3.73 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 0.84 0.00 0.00 0.32 0.00 0.00 *52 N 8.40 4.65 0.00 3.12 2.92 0.00 0.00 6.91 7.58 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 53 G 7.82 3.55 0.00 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 0.00 117 K 8.10 4.15 0.00 1.71 1.72 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 118 G 8.96 3.87 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 0.00 0.00 0.00 119 F 7.97 4.41 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 0.00 120 G 7.61 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 0.00 0.00 0.00 121 W 8.93 4.61 0.00 3.21 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 0.00 122 A 9.05 3.71 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 0.00 123 A 7.75 3.74 0.20 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 0.00 124 E 7.88 4.10 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 125 L 8.01 4.09 0.00 1.83 1.71 0.87 0.45 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 0.00 126 N 7.96 4.29 0.00 2.76 2.87 0.00 0.00 7.23 6.66 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 0.00 127 L 7.58 3.62 0.00 1.77 1.24 1.23 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.56 4.04 0.00 2.31 2.19 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 2.68 2.63 0.00 129 D 7.77 4.34 0.00 2.72 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 0.00 130 V 7.84 3.68 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 1.02 0.00 0.00 0.96 0.00 0.00 131 Y 7.84 4.18 0.00 3.25 3.13 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 0.00 132 R 8.16 4.09 0.00 2.08 2.02 0.00 3.14 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 133 K 7.76 4.36 0.00 1.94 1.97 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.90 7.81 134 L 7.42 4.11 0.00 0.27 0.78 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.57 5.03 0.00 3.04 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 0.00 136 D 7.88 4.69 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.96 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 0.00 0.00 0.00 138 E 8.38 4.08 0.00 1.98 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 2.33 2.36 0.00 139 R 8.30 4.41 0.00 1.75 2.01 0.00 3.53 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 140 G 8.67 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 0.00 141 L 7.92 4.08 0.00 1.84 1.73 0.94 0.74 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 0.00 142 G 8.67 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 0.00 143 Y 8.00 4.53 0.00 3.07 2.86 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 0.00 144 P 0.00 3.26 0.00 2.05 1.39 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 145 R 8.08 4.00 0.00 1.73 1.94 0.00 3.25 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 146 E 8.05 4.03 0.00 1.89 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 2.25 2.23 0.00 147 R 7.97 4.44 0.00 1.92 1.89 0.00 3.12 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 148 A 7.69 4.00 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 0.00 149 E 8.26 4.07 0.00 1.99 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 2.38 2.26 0.00 150 I 7.14 3.64 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.90 0.00 0.00 *152 R 8.04 4.16 0.00 1.92 2.11 0.00 3.16 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 153 K 8.22 3.99 0.00 1.97 1.82 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 154 N 8.39 4.35 0.00 2.69 2.84 0.00 0.00 7.08 8.12 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 0.00 155 R 7.93 3.91 0.00 1.90 1.79 0.00 3.07 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 156 G 7.70 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 0.00 157 I 8.02 3.69 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 0.91 0.00 0.00 158 L 8.07 4.13 0.00 1.78 1.82 1.07 0.81 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 0.00 159 R 7.88 4.09 0.00 2.03 1.99 0.00 3.16 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 160 E 8.09 3.97 0.00 2.12 2.02 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 2.35 2.57 0.00 161 L 8.34 4.10 0.00 1.73 1.90 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 162 K 8.27 4.35 0.00 2.15 1.97 0.00 1.52 0.00 0.00 0.99 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.30 7.81 163 D 8.02 4.55 0.00 2.95 2.74 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 0.00 164 A 7.77 4.26 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 0.00 165 S 7.88 4.32 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 0.00 166 C 7.85 4.72 0.00 3.00 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 0.00 167 R 8.24 4.34 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.19 4.71 0.00 2.80 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 *170 L 8.65 4.10 0.00 1.74 1.92 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.87 3.79 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 1.16 0.00 0.00 172 V 7.71 3.50 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 0.97 0.00 0.00 0.96 0.00 0.00 173 L 7.57 3.96 0.00 1.46 1.51 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.74 3.93 0.00 1.69 1.73 0.00 1.51 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.51 1.07 7.81 175 T 7.22 4.44 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 1.23 0.00 0.00 176 V 7.05 3.87 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 0.68 0.00 0.00 0.89 0.00 0.00 177 D 8.39 4.36 0.00 2.71 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 0.00 178 Q 8.72 4.14 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 179 D 9.64 4.48 0.00 2.64 2.68 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 0.00 180 L 7.89 3.87 0.00 1.71 1.83 0.84 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.67 3.90 0.00 1.65 1.85 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.99 3.95 0.00 2.01 1.89 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 183 A 7.84 3.96 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 0.00 184 A 7.93 3.97 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 0.00 185 I 6.90 3.67 0.56 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.75 0.19 0.00 0.00 186 A 7.45 4.22 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 0.00 187 G 7.93 3.91 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 0.00 0.00 0.00 188 E 9.03 3.47 0.00 2.11 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 0.00 2.39 2.35 0.00 189 K 8.04 4.47 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.13 7.81 190 F 9.50 4.10 0.00 3.22 3.24 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 0.00 191 A 8.35 4.29 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 0.00 0.00 192 E 8.30 3.99 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 193 L 7.51 4.40 0.00 1.20 1.44 0.28 0.87 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 0.00 194 F 8.24 3.97 0.00 2.18 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 0.00 0.00 0.00 0.00 195 Y 7.92 4.19 0.00 3.12 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 0.00 196 P 0.00 4.42 0.00 2.04 2.14 0.00 3.58 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 2.26 2.23 0.00 197 N 8.10 4.71 0.00 2.55 2.61 0.00 0.00 6.46 7.62 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 0.00 198 C 6.80 3.76 0.00 1.46 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 0.00 199 K 8.88 4.28 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 200 D 7.66 4.77 0.00 2.70 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 0.00 201 D 8.60 4.46 0.00 2.77 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 0.00 202 A 8.13 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.91 3.88 2.17 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 1.51 0.75 1.09 0.00 0.00 204 A 8.33 4.54 1.74 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 0.00 205 N 9.17 4.38 0.00 2.87 2.95 0.00 0.00 6.65 8.14 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 0.00 206 Y 8.08 4.00 0.00 3.13 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 0.00 207 L 8.28 4.20 0.00 2.10 1.78 0.67 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.19 4.04 0.00 2.02 1.96 0.00 3.43 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 209 S 7.80 4.19 0.00 3.88 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 0.00 210 L 7.24 4.13 0.00 1.70 1.53 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.