NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7338 8.2833 118.1301 53.5453 41.0602 176.3524 3 D 4.1501 8.1340 117.6904 57.1427 40.6388 176.8879 4 I 3.8321 8.2107 119.8302 65.4172 37.6698 178.7061 5 V 3.7743 7.8092 119.1078 66.0062 31.3750 179.9529 6 A 4.2579 7.8875 120.9779 54.6945 18.2421 178.9886 7 S 4.5482 8.2630 110.2938 57.9263 63.4794 173.8021 8 T 4.6233 7.1197 118.7481 62.2235 70.8992 173.8428 9 Q 4.1021 8.8785 127.9840 58.4446 29.5319 175.5931 10 L 4.9542 7.4251 115.3403 51.6141 45.5320 174.5316 11 P 4.7844 0.0000 0.0000 63.1720 32.2562 175.7763 12 N 4.8359 9.0797 120.1200 53.5588 40.1681 174.2137 13 T 4.8340 9.7075 112.4273 59.1974 72.9567 174.7412 14 I 3.6109 8.5894 121.6244 64.5455 36.9454 178.3732 15 K 3.9115 7.9861 119.7327 59.6396 32.0897 178.6821 16 T 3.8347 7.8712 109.8957 65.0074 68.6407 176.2096 17 I 3.6290 8.0955 123.7501 64.1739 36.7783 178.4202 18 T 3.8225 7.9552 116.2738 66.6722 68.2084 176.1684 19 N 4.3414 8.1850 118.1972 56.5424 38.6173 177.0109 20 D 4.3427 8.1862 120.0263 57.5584 40.9801 178.9383 21 L 3.9671 8.2162 119.6556 57.9182 41.5861 179.9460 22 R 4.2790 7.9552 121.7230 59.0522 29.8590 179.6742 23 K 3.9538 8.1461 122.9984 59.8125 31.7474 180.6203 24 L 4.3232 7.7239 120.3693 56.3496 42.0969 177.1350 25 G 3.8810 7.5013 104.4310 45.0404 0.0000 174.2242 26 L 4.0138 8.1271 121.9642 54.5387 42.1660 176.3221 27 K 4.4406 8.0055 120.2021 54.6282 35.4983 175.5454 28 K 3.8459 8.5474 120.4461 58.7547 32.5625 176.4295 29 G 3.5843 8.5374 114.4448 45.6936 0.0000 172.2611 *31 T 4.5617 7.4203 115.4426 63.6931 70.8830 174.5043 32 V 5.0611 8.8897 125.5827 60.1611 35.3782 173.7352 33 I 4.8256 9.0306 125.0734 59.5037 39.8156 174.2141 34 V 4.8984 8.3742 128.9251 61.3910 34.1482 174.3274 35 H 5.1113 9.1224 124.0271 54.1242 32.4102 172.6268 36 S 5.0545 8.5662 115.5958 57.1452 66.1114 173.2699 37 S 4.5387 8.5705 116.7379 56.3963 63.2973 174.0840 38 L 4.0659 8.7576 129.7122 58.3514 41.8801 178.9102 39 S 4.1392 8.0371 113.9599 61.3810 63.1130 176.3119 40 S 4.0966 7.9878 117.2415 61.2734 62.4697 176.6318 41 I 3.9350 7.4987 123.5894 62.2936 36.7222 175.9251 42 G 3.9268 7.9574 104.6282 43.6139 0.0000 172.5369 43 W 4.0808 8.8860 128.5816 57.2563 31.1424 174.8691 44 I 4.4842 6.7043 125.3202 59.0268 39.3651 174.7447 45 S 3.6750 8.4788 120.6354 61.7266 61.2233 173.7109 46 G 4.0035 8.9128 115.9194 44.2383 0.0000 173.7007 47 G 3.7157 7.4419 109.7354 45.4628 0.0000 175.9502 48 A 3.9301 8.6839 123.4861 55.1983 17.8793 179.6639 49 V 3.5907 7.5756 116.3038 66.0191 31.6051 178.1408 50 A 3.9033 7.7819 120.0698 55.1785 18.2184 179.8135 51 V 3.4463 7.5888 116.2912 65.9222 31.4112 178.2707 52 V 3.3096 7.4740 117.1021 66.0471 31.4542 177.6457 53 E 3.9033 8.0696 116.9527 58.9897 29.5268 178.8854 54 A 4.2172 7.8750 122.2320 54.4948 18.3749 180.3653 55 L 3.6695 7.3897 113.6129 55.8458 41.2055 178.7128 *57 E 4.2118 8.0669 121.7345 56.2349 31.3924 177.2479 58 V 3.8168 7.8555 117.3623 65.7824 32.0663 177.2716 59 I 3.8044 8.2015 121.0573 62.7726 37.3726 176.7148 60 T 4.0522 8.1846 111.7832 60.3737 68.9179 172.3881 61 E 3.4645 8.7001 120.1661 58.8075 29.1310 178.3034 62 E 4.0638 8.2267 117.6522 57.2567 30.1248 176.1934 63 G 4.2717 8.1462 107.3223 44.9663 0.0000 172.4564 64 T 5.4432 8.2982 114.3856 61.8843 72.9848 173.3568 65 I 4.9870 9.4226 126.5303 59.8293 40.4883 174.8889 66 I 5.6908 8.9120 126.9971 57.7950 41.5281 172.2193 *68 P 3.9177 0.0000 0.0000 62.5159 32.2887 176.9555 69 T 4.7370 7.9331 110.5664 60.6266 67.8629 173.3006 70 Q 4.5030 7.7329 122.4097 55.8042 31.1662 177.6229 71 S 4.9447 8.5206 115.9022 56.8641 62.8717 174.9331 72 S 4.4472 7.9253 118.5382 60.7125 63.9468 176.6986 73 D 4.5022 8.3147 120.7952 57.5238 40.5535 177.3159 74 L 4.6456 7.9121 116.1774 54.7314 41.8097 176.6691 75 S 4.9197 8.0997 114.1869 56.4450 64.5109 173.5654 76 D 4.3140 8.5656 120.9845 54.1803 41.3278 175.2461 77 P 2.9700 0.0000 0.0000 62.6945 31.9051 177.9519 78 K 2.0000 6.7201 119.0926 59.7204 31.9215 177.4653 79 H 4.7129 6.8131 113.7342 54.8691 28.4794 175.2530 80 W 4.7456 7.8276 121.3369 56.6415 29.2252 174.6486 81 S 4.5682 8.5983 118.0441 60.3953 64.1134 176.1009 82 R 3.6453 7.2487 117.9636 57.2922 29.7290 175.9139 83 P 4.9047 0.0000 0.0000 59.9756 33.5907 173.5028 84 P 5.1485 0.0000 0.0000 61.7034 33.7946 174.4143 85 V 4.2569 8.1667 109.2248 59.2735 35.4661 172.5770 86 P 3.8740 0.0000 0.0000 62.7657 31.6007 177.4345 87 E 2.0000 8.2384 124.2768 59.3080 29.5388 179.8266 88 E 3.9904 7.8740 113.8383 58.6662 30.2061 182.9798 89 W 4.5113 8.7568 119.5159 59.3584 29.0218 178.3239 90 W 4.4003 7.9331 119.3752 60.3322 28.7273 178.4175 91 Q 3.8999 8.1735 118.4416 58.9115 28.4788 178.1005 92 I 3.6493 7.7010 120.5731 64.3066 37.1830 177.9464 93 I 3.6448 8.1087 121.0023 64.7193 36.7611 178.5640 94 R 2.9333 7.3825 117.0034 58.9551 29.8325 178.2989 95 D 4.5711 7.5971 115.6777 55.4903 41.1537 176.7365 96 N 4.9792 7.6554 114.0832 52.5001 40.9675 175.3328 97 V 3.8090 8.0171 119.0042 60.6865 31.8928 174.4254 98 P 4.3485 0.0000 0.0000 62.0961 31.8269 176.0794 99 A 4.3634 8.5644 124.3774 52.0876 19.1795 176.9143 100 F 4.3006 8.9720 123.5228 58.5339 40.3716 174.7996 101 E 4.0867 8.9310 125.3272 54.7907 32.6590 174.5353 102 P 3.7527 0.0000 0.0000 65.9135 31.4983 177.8409 103 H 4.3666 7.8167 112.7707 57.8027 29.1392 176.3799 104 I 4.1450 7.8790 119.2868 62.9889 38.1782 176.6331 105 T 3.9712 7.4182 116.5145 62.8054 68.5511 172.7442 106 P 4.5077 0.0000 0.0000 62.3744 32.1625 176.2345 107 T 4.5065 8.2646 111.1960 60.9904 69.9685 174.1804 108 R 4.3506 8.2728 122.0443 55.6038 33.0479 174.5795 109 A 3.2961 8.5629 126.5355 52.9582 14.8784 177.4021 *111 G 3.7689 7.3087 108.8189 43.5927 0.0000 171.6927 112 K 3.9290 8.4627 120.3702 59.5458 32.0609 179.7615 113 V 3.5717 7.7262 117.8747 65.9241 31.3396 178.1529 114 V 3.7151 7.5975 117.5903 65.8987 31.2992 177.6302 115 E 3.9899 8.1326 117.5034 59.4799 29.6814 178.8096 116 C 4.2915 8.5446 119.0004 62.5023 31.8476 174.9883 117 F 4.1956 8.3311 122.5892 61.6474 38.6705 177.3117 118 R 3.9618 8.3649 113.9235 58.3968 29.3907 177.7536 119 T 4.2817 7.5426 108.4612 61.4159 69.8765 174.7142 120 Y 3.8682 7.3056 120.9785 57.2369 38.5766 174.1740 121 P 4.3721 0.0000 0.0000 64.0402 32.0088 176.7424 122 N 4.3758 8.8045 115.4409 53.6338 36.6934 174.2925 123 V 4.3011 7.4779 119.3679 62.1825 32.3222 175.5643 124 V 4.5853 8.7833 121.0127 59.5429 34.7583 174.5426 125 R 5.2481 8.4126 123.6315 54.4191 32.4199 175.5759 126 S 4.6824 9.2400 120.6746 57.3289 64.2590 173.2401 127 N 4.8510 8.6424 117.0562 53.9269 37.2418 173.6254 128 H 4.3211 7.8639 117.7154 53.9926 30.7490 174.3446 129 P 3.0664 0.0000 0.0000 64.3811 31.7180 176.7591 130 L 4.7376 7.7178 117.6304 54.3740 44.7580 177.7320 131 G 4.3558 7.7614 105.2698 45.5269 0.0000 173.5443 132 S 4.7119 8.1049 114.1922 58.1465 64.9868 172.8432 133 F 5.4000 9.8954 118.0454 54.5605 43.5229 173.9104 134 A 5.4876 8.8740 121.4633 50.4915 22.3062 175.1141 135 A 5.5284 9.1775 120.9788 50.4721 23.5180 175.0957 136 W 5.1301 9.9605 129.4084 57.1480 34.5803 174.0287 137 G 3.3333 8.3339 110.4533 43.7010 0.0000 174.3393 138 R 3.6499 8.2943 120.0348 59.6076 30.1953 179.0323 139 H 4.8802 8.3186 113.3137 55.3135 29.4559 176.2557 140 A 4.0359 7.8028 125.0832 55.6255 17.9727 180.1324 141 E 3.8271 8.0747 116.5573 59.5416 29.6632 178.3586 142 E 3.9381 8.1342 117.3481 59.5289 29.7466 178.4280 143 I 3.8800 7.9901 119.4115 63.7771 37.2472 177.5575 144 T 4.3489 7.8543 108.6292 60.9886 69.4478 174.7458 145 V 4.0811 6.9393 122.1412 61.8962 32.8957 175.3658 146 N 4.1595 8.6382 117.5298 54.4530 35.2697 174.6198 147 Q 4.4123 8.2462 118.1670 55.0329 30.0927 175.4453 148 S 4.3252 8.3897 119.8737 57.7947 63.9502 173.9029 149 L 3.6541 8.1474 124.4562 58.3860 42.1719 178.9865 150 S 5.4360 7.7593 116.6019 58.4429 60.2335 173.6946 *152 S 4.4919 8.0275 117.3113 57.6679 64.8520 175.8255 153 L 4.6703 8.3860 118.5710 54.1927 42.1216 177.2392 154 G 4.1593 7.6557 110.9060 45.0089 0.0000 174.8915 155 E 3.9499 8.7535 118.3038 58.8608 29.4136 177.1790 156 E 4.4698 8.1625 118.1570 56.0395 29.7267 175.5135 157 S 4.6646 7.8071 114.3696 55.5462 65.7217 173.2205 158 P 4.1846 0.0000 0.0000 65.2622 30.6694 178.9253 159 L 3.8540 7.3413 117.8388 57.7344 41.5126 179.4458 160 R 3.9383 7.7486 118.5401 59.2486 29.8882 178.7129 161 K 4.0373 7.9189 117.9009 59.2757 32.0262 179.2794 162 I 3.7438 7.7038 120.4412 64.1501 37.0215 177.4077 163 Y 4.0070 7.9715 121.8243 60.3496 38.3917 178.3982 164 D 4.5472 8.2058 117.6515 56.6926 40.9795 177.7385 165 L 4.2616 7.3776 117.4240 53.5689 42.2532 175.7562 166 D 4.0543 7.9013 117.7106 55.0636 40.3157 173.3184 167 G 4.1209 7.6569 105.8601 45.5683 0.0000 172.8045 168 Y 5.0894 9.0746 116.4740 56.1222 41.4677 175.1420 169 I 5.0156 8.3394 121.0807 59.4922 40.6860 174.2382 170 L 5.1845 9.1591 128.4385 53.2199 45.0202 174.7590 171 L 4.9750 8.7760 126.3008 53.1084 44.2744 175.4907 172 I 4.2492 8.9636 126.2115 59.9240 38.8601 176.3522 173 G 4.4285 8.6005 113.9158 45.9406 0.0000 172.3454 174 V 4.4940 7.4501 110.8341 59.3172 35.8301 175.3895 175 G 4.3003 8.0262 110.3861 44.3117 0.0000 173.6110 176 Y 3.9845 8.6893 115.5035 60.3754 38.0438 177.4907 177 D 4.6232 8.3127 118.0580 55.1914 39.5328 176.8097 178 S 4.5934 7.9031 114.9515 58.5973 63.8378 175.0638 179 N 4.3620 8.0533 121.2298 52.1994 37.0942 174.7922 180 T 4.0260 8.0890 123.0106 66.3880 68.8482 175.4733 181 S 4.1291 8.4014 116.5375 61.7052 62.8137 176.4120 182 V 3.7280 7.6114 119.5611 64.5706 31.0951 178.0341 183 G 3.7858 8.2681 105.9068 47.7848 0.0000 175.4568 184 L 4.2179 8.0906 122.4081 57.8175 41.8997 179.2465 185 S 4.2210 7.9375 115.1127 61.3952 62.4347 176.0271 186 E 3.5564 8.1221 121.2884 59.3921 28.8388 179.6647 187 V 3.6131 7.9272 118.0088 66.1672 31.4626 178.2081 188 R 4.0615 8.0156 116.1549 57.8840 29.9935 177.8798 189 S 4.7122 7.5917 111.9478 56.8709 63.1485 173.9923 190 G 3.7401 7.9259 110.3601 46.7538 0.0000 176.0514 191 A 4.0671 7.8673 124.7792 53.8722 18.5742 178.3509 192 C 4.9126 6.9589 108.9360 57.5029 31.7994 173.7999 193 E 4.1603 8.3501 120.4346 56.2303 29.7666 176.9644 194 L 4.5016 8.0315 120.9354 54.2701 43.0715 176.3945 195 I 4.7075 8.5170 114.2614 58.9666 41.4737 174.3431 196 K 4.4000 8.5964 123.6640 56.4437 32.7715 176.2827 197 V 4.3689 8.8404 124.8001 61.2667 35.6225 173.6083 198 G 4.0826 7.7745 107.4646 45.2685 0.0000 171.5592 199 A 4.2181 6.8602 119.9817 50.4746 23.5048 173.3071 200 P 5.4343 0.0000 0.0000 61.3002 33.6622 174.5687 201 I 4.9787 8.9686 116.7460 59.0622 41.7574 174.8305 202 I 4.5320 8.4706 124.1848 60.5861 37.3378 175.1763 203 E 4.3075 9.1562 129.9449 55.0472 30.1918 175.6207 204 N 4.1218 8.7405 125.9444 56.4174 35.2057 174.5268 205 G 4.0159 7.9941 98.5591 46.3067 0.0000 172.7958 206 E 4.5383 7.6335 118.6966 53.6371 32.7839 174.5090 207 R 4.2996 8.8762 126.9807 57.4549 30.6950 175.5937 208 V 4.5613 9.1761 125.2099 61.0298 35.6440 173.7475 209 W 4.9697 9.0459 135.0000 56.6159 31.1845 174.8070 210 K 4.4734 8.5363 130.0650 54.7852 33.5748 174.9203 211 E 4.9872 8.5681 126.7980 55.5281 31.3468 175.0152 212 F 4.8392 8.4866 117.5538 56.5888 42.2456 172.4852 213 V 4.8434 8.3511 117.8158 59.2879 34.3047 172.5110 214 D 4.5177 8.8105 125.0198 54.0974 46.4466 176.6870 *216 D 4.4250 8.8273 108.4445 53.5569 41.1008 173.3168 217 Y 4.2022 7.5356 118.6617 58.0085 38.8504 176.3026 218 D 4.4345 8.9923 123.0795 52.7848 42.8425 175.2012 219 S 2.7900 8.1585 120.7808 58.1557 63.4119 175.6803 220 D 4.3648 7.8515 121.9193 57.1715 40.7826 177.6739 221 K 4.4775 7.8742 115.9770 56.7137 33.6590 178.1800 222 F 4.2671 8.2227 118.8813 60.6562 38.7325 177.5104 223 V 3.6241 7.8853 117.1158 66.0620 31.5341 177.2298 224 E 3.8146 8.1561 118.4339 59.5852 29.3721 178.7697 225 I 2.9185 7.3986 119.7954 63.9210 36.9274 178.7338 226 G 2.3067 7.6069 106.6891 47.0211 0.0000 176.0483 227 V 3.4093 7.3254 119.8239 65.7897 31.7358 177.5269 228 E 4.0490 7.9053 118.7243 58.8921 29.4714 178.2511 229 F 2.9869 8.2432 121.1495 61.1052 39.3345 176.9639 230 E 3.6374 8.0309 117.2806 58.4855 28.9353 179.0372 231 Q 3.9430 7.2928 117.7067 58.2777 28.7811 177.9586 232 K 4.1627 7.5429 117.7338 55.9717 32.3078 177.0443 233 G 3.7867 7.6660 107.5533 46.9942 0.0000 174.4002 234 T 4.3521 7.6470 106.5291 60.6895 69.1910 173.4802 235 V 4.5156 7.2943 121.7277 61.9352 33.5034 175.6995 236 T 4.2265 8.9087 125.2536 62.7185 70.9368 173.4580 *238 G 3.9618 8.2799 108.9554 46.4942 0.0000 171.7671 239 K 5.4449 8.3447 118.0049 54.1792 33.6793 176.8605 240 I 4.4174 8.1623 124.1644 60.2301 38.4887 176.3999 241 G 3.7777 8.4018 118.3425 47.1650 0.0000 174.6286 242 N 4.5282 9.6595 122.8327 53.5937 38.9729 174.5179 243 A 4.4725 7.8834 121.9825 50.7299 20.6515 176.8699 244 K 4.4359 8.6499 122.0155 56.5886 33.1279 176.1193 245 C 5.4234 8.8195 122.4639 58.0906 31.9969 173.8037 246 R 4.9152 8.6665 118.2201 54.8607 34.3171 174.2944 247 L 5.4201 8.9482 125.3125 52.0413 45.8890 175.4572 *249 K 3.7669 8.4087 122.7180 55.9308 33.0406 176.7100 250 Q 3.8638 8.8765 124.9359 59.4388 29.0490 178.7260 251 R 3.5967 7.6799 118.4839 59.2771 29.8716 178.1250 252 D 4.2931 7.6445 117.6607 57.4861 41.2481 178.1766 253 I 2.6807 7.3409 118.5211 63.5371 38.0082 178.0270 254 V 3.7162 8.0297 121.0349 65.5180 31.4523 177.8230 255 D 4.4134 8.1782 118.6367 57.2028 40.6826 178.3560 256 F 4.0975 8.3976 121.3446 61.3884 39.4024 177.3105 257 G 3.7429 8.4281 105.5151 48.1337 0.0000 175.6203 258 T 4.0545 8.2158 118.0940 66.5784 68.5301 176.5869 259 E 3.9370 8.0808 120.1913 59.0206 29.2495 178.8244 260 W 3.8962 8.0223 127.5320 60.8402 30.7320 177.5856 261 F 4.5365 8.2447 116.0190 60.6758 38.7835 177.8467 262 R 4.1224 8.1167 120.1968 60.0022 29.7808 179.6617 263 K 3.8574 7.7424 121.9591 59.6984 31.5279 178.3854 264 K 4.1726 7.1558 120.2490 56.8667 31.9106 176.6883 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 2 N 8.28 4.73 0.00 2.85 2.92 0.00 0.00 7.01 7.19 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 3 D 8.13 4.15 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.21 3.83 2.00 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 1.55 0.51 1.07 0.00 0.00 5 V 7.81 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 6 A 7.89 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 7 S 8.26 4.55 0.00 4.01 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 8 T 7.12 4.62 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 1.36 0.00 0.00 9 Q 8.88 4.10 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 10 L 7.43 4.95 0.00 1.65 1.54 0.93 1.02 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 11 P 0.00 4.78 0.00 2.39 2.54 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 12 N 9.08 4.84 0.00 2.71 2.72 0.00 0.00 6.46 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 9.71 4.83 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 I 8.59 3.61 1.85 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 1.48 0.70 0.88 0.00 0.00 15 K 7.99 3.91 0.00 1.91 1.80 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.07 7.81 16 T 7.87 3.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 17 I 8.10 3.63 1.87 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 1.47 0.73 0.84 0.00 0.00 18 T 7.96 3.82 4.41 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 1.19 0.00 0.00 19 N 8.19 4.34 0.00 2.93 2.86 0.00 0.00 7.07 7.60 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 20 D 8.19 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 175 G 8.03 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 0.00 0.00 0.00 0.00 176 Y 8.69 3.98 0.00 3.05 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 0.00 177 D 8.31 4.62 0.00 2.79 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 0.00 178 S 7.90 4.59 0.00 3.97 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 0.00 179 N 8.05 4.36 0.00 2.54 2.78 0.00 0.00 7.15 6.77 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 0.00 180 T 8.09 4.03 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 1.28 0.00 0.00 181 S 8.40 4.13 0.00 4.01 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 0.00 182 V 7.61 3.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.66 0.00 0.00 183 G 8.27 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.09 4.22 0.00 1.80 1.90 0.90 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 0.00 185 S 7.94 4.22 0.00 4.18 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 0.00 186 E 8.12 3.56 0.00 2.36 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 1.88 2.68 0.00 187 V 7.93 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.16 0.00 0.00 188 R 8.02 4.06 0.00 1.92 1.96 0.00 3.08 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 189 S 7.59 4.71 0.00 4.05 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 0.00 190 G 7.93 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 0.00 191 A 7.87 4.07 0.57 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 0.00 0.00 192 C 6.96 4.91 0.00 2.73 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 0.00 193 E 8.35 4.16 0.00 1.89 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 2.28 2.24 0.00 194 L 8.03 4.50 0.00 1.58 1.53 0.89 0.66 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 0.00 195 I 8.52 4.71 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.81 0.79 0.00 0.00 196 K 8.60 4.40 0.00 1.64 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.41 7.81 197 V 8.84 4.37 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 0.82 0.00 0.00 0.80 0.00 0.00 198 G 7.77 4.08 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 0.00 199 A 6.86 4.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 5.43 0.00 2.28 2.53 0.00 3.69 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 201 I 8.97 4.98 1.87 0.00 0.00 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 1.18 1.14 0.81 0.00 0.00 202 I 8.47 4.53 1.90 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 1.26 0.84 0.97 0.00 0.00 203 E 9.16 4.31 0.00 1.97 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 2.21 2.24 0.00 204 N 8.74 4.12 0.00 2.94 2.92 0.00 0.00 7.38 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 7.99 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 0.00 0.00 0.00 206 E 7.63 4.54 0.00 2.26 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 2.21 2.30 0.00 207 R 8.88 4.30 0.00 1.91 1.92 0.00 3.31 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 208 V 9.18 4.56 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.01 0.00 0.00 209 W 9.05 4.97 0.00 3.55 3.11 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 0.00 210 K 8.54 4.47 0.00 1.70 1.49 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.37 7.81 211 E 8.57 4.99 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 212 F 8.49 4.84 0.00 3.03 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 0.00 213 V 8.35 4.84 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 0.77 0.00 0.00 0.94 0.00 0.00 214 D 8.81 4.52 0.00 2.80 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *216 D 8.83 4.43 0.00 2.56 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 0.00 217 Y 7.54 4.20 0.00 3.03 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 0.00 218 D 8.99 4.43 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 S 8.16 2.79 0.00 3.46 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 0.00 220 D 7.85 4.36 0.00 2.94 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 0.00 221 K 7.87 4.48 0.00 2.10 1.86 0.00 2.14 0.00 0.00 2.05 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.63 1.75 7.81 222 F 8.22 4.27 0.00 3.19 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 0.00 223 V 7.89 3.62 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 1.13 0.00 0.00 1.04 0.00 0.00 224 E 8.16 3.81 0.00 2.04 1.92 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 2.42 2.47 0.00 225 I 7.40 2.92 1.57 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.58 0.00 0.00 226 G 7.61 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 7.33 3.41 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 0.78 0.00 0.00 0.92 0.00 0.00 228 E 7.91 4.05 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 229 F 8.24 2.99 0.00 2.39 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 0.00 230 E 8.03 3.64 0.00 1.97 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 2.22 2.27 0.00 231 Q 7.29 3.94 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 232 K 7.54 4.16 0.00 1.49 1.70 0.00 2.06 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.38 7.81 233 G 7.67 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 T 7.65 4.35 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 1.16 0.00 0.00 235 V 7.29 4.52 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 236 T 8.91 4.23 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 1.25 0.00 0.00 *238 G 8.28 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 0.00 0.00 0.00 239 K 8.34 5.44 0.00 1.74 1.95 0.00 1.87 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 240 I 8.16 4.42 1.84 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 1.31 1.00 0.87 0.00 0.00 241 G 8.40 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 0.00 242 N 9.66 4.53 0.00 2.96 2.88 0.00 0.00 6.88 7.83 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 0.00 243 A 7.88 4.47 1.25 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 0.00 0.00 0.00 244 K 8.65 4.44 0.00 1.73 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.47 7.81 245 C 8.82 5.42 0.00 2.93 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 0.00 246 R 8.67 4.92 0.00 1.65 1.75 0.00 2.99 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 247 L 8.95 5.42 0.00 1.69 1.48 1.00 0.36 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 *249 K 8.41 3.77 0.00 1.75 1.44 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.60 1.26 7.81 250 Q 8.88 3.86 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 251 R 7.68 3.60 0.00 1.56 1.63 0.00 2.97 0.00 0.00 2.80 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 252 D 7.64 4.29 0.00 2.76 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 0.00 253 I 7.34 2.68 1.36 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.86 0.00 0.00 254 V 8.03 3.72 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 1.44 0.00 0.00 1.09 0.00 0.00 255 D 8.18 4.41 0.00 3.09 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 8.40 4.10 0.00 3.21 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 0.00 257 G 8.43 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 0.00 258 T 8.22 4.05 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 259 E 8.08 3.94 0.00 2.06 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 2.31 2.41 0.00 260 W 8.02 3.90 0.00 2.94 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 261 F 8.24 4.54 0.00 3.35 3.11 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 0.00 262 R 8.12 4.12 0.00 1.97 1.95 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 263 K 7.74 3.86 0.00 1.86 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.41 1.40 7.81 264 K 7.16 4.17 0.00 1.89 1.67 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.72 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.31 1.20 7.81 * Residues marked with a * may have inaccurate shift predictions.