NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2561 8.2544 120.8634 55.9851 30.8896 174.2650 9 L 4.3110 8.4008 118.5343 54.7698 43.1815 175.4588 10 A 5.1232 9.6371 127.5254 50.4198 24.0281 173.7634 11 C 5.1707 9.1144 119.4962 57.6689 34.8564 172.8057 12 Y 4.6855 9.1532 125.7102 57.9885 38.7334 174.9082 13 S 4.9101 9.1744 118.8500 56.4581 66.6757 172.4469 14 D 5.1732 9.0355 125.9997 51.9149 41.0255 175.1017 15 P 4.2898 0.0000 0.0000 64.9472 31.4480 176.9766 16 A 4.3612 8.3477 120.8161 52.7472 19.7124 176.8805 17 D 4.9625 7.8693 116.2299 52.8911 43.8053 176.9366 18 H 4.3553 8.7601 122.2460 58.9204 28.6102 177.4993 19 Y 4.1616 7.9321 119.7623 61.0101 37.6519 178.3369 20 S 4.2337 8.3626 115.8389 61.7059 62.9867 175.8739 21 H 4.1868 8.4217 121.1088 59.1812 29.5749 177.2317 22 R 4.1291 8.1394 119.9784 59.7081 29.9661 179.2077 23 V 3.7125 7.5093 117.0843 66.0223 31.5160 178.2835 24 R 4.0006 8.2962 117.9640 58.9544 29.7554 179.1726 25 I 3.6459 7.9921 119.9239 64.3664 37.1729 178.4505 26 V 3.6168 7.7194 118.9419 66.1369 30.8072 177.9937 27 L 3.9396 8.3765 118.8052 57.7535 41.2987 179.4480 28 A 3.9858 7.9965 120.7174 55.1048 18.0842 179.4919 29 E 3.9188 8.3607 116.6285 59.4808 29.6737 179.2965 30 K 4.3166 8.1725 116.3863 56.1471 32.9219 176.9042 31 G 3.8370 7.4456 107.1424 46.8605 0.0000 174.5039 32 V 3.7878 7.3008 108.0284 60.1943 31.9608 176.8605 33 S 3.6713 7.9135 113.9736 59.3447 60.1268 171.9233 34 A 4.3483 7.8400 120.7826 51.8267 19.3423 178.0925 35 E 4.0722 9.0516 121.9083 56.3058 30.7265 175.9693 36 I 4.5654 8.2909 125.9257 60.0342 38.7321 175.3596 37 I 4.2363 8.5713 129.4798 59.3037 38.6302 175.3586 38 S 4.6771 8.5981 124.1022 58.4864 63.2052 174.2605 39 V 4.2854 9.1520 124.5695 60.9142 33.9963 175.0502 40 E 4.4983 8.7062 128.5589 56.3139 30.1460 176.2765 *44 Q 4.0940 7.8286 115.9157 54.0190 29.2515 172.9659 45 P 4.2975 0.0000 0.0000 62.3005 33.4866 174.9070 46 P 4.2343 0.0000 0.0000 65.4278 31.1853 179.0195 47 K 3.9919 7.9754 118.2390 59.0143 32.1080 178.6111 48 L 3.3394 7.2918 120.2673 58.0807 41.8815 178.8825 49 I 3.8016 7.2963 118.2061 64.0890 36.9863 177.6167 50 E 3.9940 8.2383 120.0514 59.1495 29.5265 178.6366 51 V 4.3710 7.3184 110.1959 61.1388 32.9700 175.4599 52 N 4.0790 8.2323 117.1547 50.2645 39.1872 172.6255 53 P 4.1447 0.0000 0.0000 64.4529 31.1286 177.5984 54 Y 3.9445 7.8321 117.4420 58.6210 37.9903 176.4220 55 G 3.6748 7.7264 107.5719 46.2423 0.0000 173.9230 56 S 4.5802 6.9307 110.0600 56.9370 64.4985 173.1076 57 L 5.0552 8.0135 120.1948 52.3417 44.7300 174.8173 58 P 4.9886 0.0000 0.0000 62.8788 33.0395 175.4208 59 T 5.0303 8.9465 117.2881 61.9299 72.2364 172.5589 60 L 5.1561 9.3786 128.8175 53.6799 44.3503 175.2887 61 V 5.0603 9.0438 125.2573 61.6359 35.3761 173.5523 62 D 5.0513 8.8267 127.2601 53.0309 45.0920 176.2783 63 R 3.9655 8.5174 118.8886 55.6760 29.3892 173.2565 *65 L 3.9696 7.9435 119.8405 55.4422 43.0230 175.0477 66 A 5.0196 8.3447 126.8678 50.8284 21.7460 175.0385 67 L 4.7203 9.3742 122.5645 53.2022 46.2162 176.0049 68 W 5.4450 7.6243 117.5532 56.0633 32.0428 169.3002 69 E 3.8737 9.3086 128.4275 55.3542 29.7388 174.6841 70 S 4.2848 8.9650 121.3271 61.7081 63.1880 175.8845 71 T 4.0592 8.0477 110.3395 64.2572 69.0895 175.9340 72 V 3.6786 8.1601 121.6548 65.9233 31.8240 178.6798 73 V 4.0573 7.8472 117.1995 63.5002 30.8609 177.2836 *75 E 4.2806 8.2461 120.0150 56.0555 31.6612 177.5110 76 Y 4.0794 8.3337 119.3452 60.8733 38.8057 178.3510 77 L 3.9900 8.1757 119.7791 57.8644 41.4877 179.0995 78 D 4.3418 7.9314 116.6554 57.1853 41.3028 177.6101 79 E 4.0401 7.9657 118.5642 59.0315 29.6101 178.7683 80 R 3.8461 7.7576 118.3698 57.5097 29.8521 175.6406 81 Y 4.6320 7.5619 117.2159 55.1751 38.5056 174.2015 82 P 4.4992 0.0000 0.0000 64.4266 31.9666 176.5123 83 H 4.8183 7.4054 114.7396 53.3353 31.3585 172.4085 84 P 4.0835 0.0000 0.0000 61.0350 32.2002 174.2312 85 P 4.3544 0.0000 0.0000 63.3022 31.7997 176.0788 86 L 4.6158 9.1346 120.5747 54.3163 42.3830 175.8283 87 L 4.9899 7.3209 117.3856 51.8909 45.5125 174.2964 88 P 4.3989 0.0000 0.0000 62.9298 31.8937 176.6564 89 V 3.7342 8.0651 118.4564 64.5611 32.2271 176.2635 90 Y 4.8537 7.3549 116.2894 55.7478 40.9598 174.7050 91 P 4.2924 0.0000 0.0000 65.6977 31.4210 179.3678 92 V 3.5369 7.7937 116.3317 66.0516 31.6153 177.8196 93 A 3.9867 8.0185 120.0140 55.2007 18.1546 179.6397 94 R 3.8557 8.2386 116.4538 59.3193 30.1000 179.1604 95 A 3.9730 8.3025 120.8274 55.1573 18.3107 179.3799 96 N 4.2686 8.4660 115.3606 56.5505 38.6083 177.8404 97 S 4.0430 8.1834 116.4758 61.6268 62.9502 176.9099 98 R 3.9319 8.2393 121.0595 59.2186 29.7387 178.9010 99 L 3.9738 8.3600 120.5112 58.0336 42.0034 178.9472 100 L 3.8444 8.0633 119.1013 57.7673 41.4672 179.4766 101 I 3.7289 7.8001 119.6548 64.7277 36.9984 177.9039 102 H 4.1547 8.3239 118.9173 59.4363 29.6000 177.5572 103 R 3.7216 8.1724 119.9904 59.0427 29.7884 179.0271 104 I 3.2719 7.9458 120.0921 64.1888 37.0504 178.1471 105 Q 4.0470 8.2265 120.3701 59.2744 28.7266 178.3925 106 R 3.8374 7.9452 118.4118 59.4168 30.2593 177.4736 107 D 4.6716 8.0253 116.5419 54.9798 41.7485 177.7438 108 W 4.9632 7.7423 117.4694 58.8210 30.7331 177.9969 109 C 4.4195 8.7858 117.0680 62.6407 27.4996 176.3712 110 G 3.7309 8.1255 107.3012 47.9504 0.0000 175.8425 111 Q 4.0827 8.0417 119.8792 58.5276 28.8947 178.5041 112 V 3.5864 7.9459 119.2958 66.3029 31.6471 177.8421 113 D 4.4935 8.5277 118.8651 57.2693 40.4239 178.5985 114 L 3.9973 7.8143 119.9674 58.2518 42.1989 178.7999 115 I 3.8787 7.7493 118.6782 64.3745 37.1690 178.0608 116 L 4.2767 7.8977 117.8849 55.4186 42.0982 176.9891 117 D 4.4812 7.7187 120.5643 53.2717 41.4637 175.0867 118 P 4.4607 0.0000 0.0000 64.8351 31.4730 177.0645 119 R 4.2900 8.5182 117.5766 57.0236 30.5695 176.7683 120 T 4.0787 7.5943 116.2022 62.5674 69.1998 174.9998 121 K 3.9578 8.6382 126.8671 56.5378 33.8268 176.9442 122 E 3.9085 8.9274 126.4197 59.5573 29.5756 178.7937 123 A 3.9846 8.1147 119.8842 55.3738 18.3545 179.3391 124 A 4.0095 7.9852 118.5384 55.2189 18.3849 179.9406 125 R 3.8717 8.0627 116.8524 59.3418 30.1221 179.3615 126 V 3.5579 7.9405 118.1162 66.0035 31.5161 177.9042 127 Q 3.9417 8.1489 119.1173 59.1792 28.8987 178.0544 128 A 4.1304 8.2544 121.9180 55.0935 18.2768 179.8022 129 R 3.8318 8.2847 116.9524 59.1844 30.0605 179.0890 130 K 3.8831 8.0326 119.3060 59.6919 32.2418 178.6897 131 E 3.9726 8.2940 118.8093 59.2759 29.2736 179.2198 132 L 3.9377 8.1362 120.4826 57.9917 42.1923 178.8022 133 R 3.7477 8.1599 118.9843 59.6511 29.9400 178.4063 134 E 3.9754 8.4366 118.5305 59.2846 29.5601 179.3224 135 S 4.2092 8.2726 113.3192 61.4138 62.3211 176.2086 136 L 3.6439 7.7509 120.8769 57.9786 41.5399 179.3206 137 T 4.0437 8.0626 115.8813 66.4464 68.1008 177.0238 138 G 3.6711 8.1134 107.3472 47.4330 0.0000 175.4402 139 V 4.2098 7.8460 119.5046 62.2171 31.8608 177.9876 140 S 4.1814 7.8209 115.7747 61.5443 62.5484 174.7234 141 P 4.3592 0.0000 0.0000 65.1775 30.8747 178.2675 142 L 4.1700 8.3078 117.6162 57.0112 41.2922 178.4783 143 F 4.2468 8.2992 115.8615 58.4069 39.0937 175.9601 144 A 4.3476 7.8421 121.2673 53.5474 19.0139 178.1963 145 D 4.6603 7.6695 114.9156 55.6901 41.5852 176.9764 146 K 4.7436 7.5151 115.9515 54.0091 36.0494 174.5043 147 P 4.3298 0.0000 0.0000 64.2812 31.7547 175.5345 148 F 5.1009 7.7745 116.5386 54.9920 42.1890 174.4151 149 F 4.1473 9.5500 124.0144 58.7072 38.2068 174.7017 150 L 3.5956 8.3075 130.1645 54.8911 39.3218 174.7356 151 S 4.6344 7.5111 108.7157 57.5489 65.1479 174.7529 152 E 4.4665 8.8334 124.9757 57.8825 29.8294 176.6437 153 E 4.4185 7.9064 117.3805 53.6083 33.4088 175.1889 154 Q 3.4474 7.0241 122.3219 56.6546 29.5529 176.4241 155 S 4.7646 9.0901 118.5905 55.9376 67.9553 174.9271 156 L 4.0919 9.0216 121.2122 57.6428 41.0851 180.0766 157 V 3.6918 7.7922 118.4305 66.2939 31.4641 177.7011 158 D 4.7690 8.3775 118.0351 57.9053 40.5182 178.5607 159 C 4.3916 8.0220 116.0995 62.7351 28.1194 175.4302 160 C 4.4538 7.8928 117.3979 62.1204 28.2564 175.4467 161 L 4.3697 8.2404 122.1390 58.1225 41.7321 178.8447 162 L 4.2449 8.6183 119.4481 57.5240 41.3432 177.7191 163 P 4.5011 0.0000 0.0000 65.5803 31.6746 178.4737 164 I 3.8853 7.8032 118.2172 64.4907 37.3102 178.3566 165 L 4.0690 8.2093 119.8419 57.4630 41.1919 179.3295 166 W 4.0211 8.7865 128.1632 60.0506 30.8645 177.2477 167 R 4.3152 7.8613 115.7334 56.1531 29.6184 178.0633 168 L 3.9156 7.6567 121.0325 57.4502 41.6215 177.5664 169 P 4.1547 0.0000 0.0000 65.7009 31.1295 179.0393 170 V 3.7279 7.5425 108.7762 63.6420 31.7315 176.9459 171 L 4.1736 7.8941 118.2283 54.5690 41.6787 176.9189 172 G 3.8372 7.8890 106.7899 46.6987 0.0000 173.6425 173 I 4.3698 7.8843 120.2083 58.9531 39.3577 175.1151 174 E 4.5543 8.5336 124.9227 54.1458 31.1194 175.9610 175 L 4.1014 8.2455 124.5635 53.6577 42.5577 175.3354 176 P 4.5224 0.0000 0.0000 62.1449 32.5699 177.5437 177 R 3.8267 8.4530 117.8723 59.1772 30.1866 178.8756 178 Q 3.8996 8.2127 117.7938 58.9618 29.1390 176.5029 179 A 4.6359 8.0602 119.7077 51.3893 19.1039 178.8478 180 K 3.7576 7.9712 122.5424 61.1492 32.0566 176.7345 181 P 4.4350 0.0000 0.0000 65.3195 30.9920 178.3943 182 L 3.3091 7.5591 118.1746 57.7054 42.1162 178.3381 183 L 3.9639 7.5449 118.0028 57.8394 41.7989 178.9996 184 D 4.4540 8.5465 119.1913 57.2401 40.6417 178.4729 185 Y 3.6838 7.7553 117.4914 58.3565 38.4578 177.4517 *187 E 4.1193 8.0987 119.8272 55.8282 31.4419 178.0575 188 R 3.8471 7.6904 117.5399 59.3866 30.1407 179.1777 189 Q 3.8888 7.7585 118.1578 58.8847 28.3889 178.8143 190 F 4.1726 7.0015 114.1609 59.8882 39.0013 176.8317 191 A 4.3891 7.5380 117.3735 52.3557 19.2747 177.9372 192 R 4.0667 7.4814 117.7666 55.7655 31.0848 176.9771 193 E 3.9183 9.2865 122.9906 59.8184 29.2350 179.3864 194 A 3.9642 7.9393 118.4385 55.0344 18.9542 178.8774 195 F 4.1108 8.2209 118.7299 61.4780 39.5379 177.0822 196 Q 3.8061 8.4116 117.5266 59.0369 28.3261 178.9340 197 A 3.9922 7.9863 120.7520 54.7402 18.4208 179.4366 198 S 4.1092 7.3277 111.5760 59.6344 63.3680 174.7734 199 L 3.7570 6.5895 123.4197 54.0537 41.8293 177.7361 200 S 4.4738 8.8906 119.7064 57.3251 65.3469 175.6447 201 G 3.6097 8.4480 108.5767 48.0895 0.0000 175.7770 202 V 3.6312 7.7636 119.1321 65.9416 31.5273 177.5109 203 E 4.2935 8.0859 117.0460 59.4445 29.3513 179.0878 204 R 4.3868 8.1281 117.6298 59.0714 30.9338 179.1016 205 D 4.6243 7.9100 119.9181 53.9347 38.8101 176.7123 *207 R 3.8888 7.8178 122.4900 56.4821 30.4694 176.1611 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 8 R 8.25 4.26 0.00 1.80 1.85 0.00 3.20 0.00 0.00 3.22 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 9 L 8.40 4.31 0.00 1.99 1.56 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.64 5.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 9.11 5.17 0.00 2.93 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 12 Y 9.15 4.69 0.00 2.99 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 13 S 9.17 4.91 0.00 3.86 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 14 D 9.04 5.17 0.00 2.80 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 15 P 0.00 4.29 0.00 2.21 2.16 0.00 3.93 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 2.00 1.97 0.00 16 A 8.35 4.36 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.87 4.96 0.00 3.07 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 18 H 8.76 4.36 0.00 3.42 3.54 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.93 4.16 0.00 3.25 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 20 S 8.36 4.23 0.00 4.20 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 21 H 8.42 4.19 0.00 3.45 3.50 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.14 4.13 0.00 2.17 2.09 0.00 3.40 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 23 V 7.51 3.71 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 1.17 0.00 0.00 1.03 0.00 0.00 24 R 8.30 4.00 0.00 2.02 2.01 0.00 3.10 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 25 I 7.99 3.65 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 1.03 0.00 0.00 26 V 7.72 3.62 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 1.07 0.00 0.00 1.05 0.00 0.00 27 L 8.38 3.94 0.00 1.81 1.66 0.93 0.73 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 28 A 8.00 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.36 3.92 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 2.56 2.52 0.00 30 K 8.17 4.32 0.00 1.62 1.75 0.00 2.09 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.63 7.81 31 G 7.45 3.84 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 0.00 0.00 0.00 32 V 7.30 3.79 1.43 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 -0.37 0.00 0.00 0.67 0.00 0.00 33 S 7.91 3.67 0.00 3.96 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 34 A 7.84 4.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.05 4.07 0.00 1.82 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 2.29 2.39 0.00 36 I 8.29 4.57 1.82 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 1.29 0.75 0.87 0.00 0.00 37 I 8.57 4.24 1.29 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 0.85 0.00 0.00 38 S 8.60 4.68 0.00 3.75 3.81 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 39 V 9.15 4.29 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 0.97 0.00 0.00 1.13 0.00 0.00 40 E 8.71 4.50 0.00 1.92 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 2.18 2.35 0.00 *44 Q 7.83 4.09 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 45 P 0.00 4.30 0.00 2.08 2.07 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 46 P 0.00 4.23 0.00 2.14 2.07 0.00 3.60 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 2.10 2.11 0.00 47 K 7.98 3.99 0.00 1.91 1.88 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.81 7.81 48 L 7.29 3.34 0.00 0.41 1.37 0.54 0.89 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 1.13 0.00 0.00 0.92 0.00 0.00 93 A 8.02 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.24 3.86 0.00 2.09 1.98 0.00 3.24 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 95 A 8.30 3.97 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 96 N 8.47 4.27 0.00 2.86 2.81 0.00 0.00 7.03 7.95 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 97 S 8.18 4.04 0.00 4.00 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 98 R 8.24 3.93 0.00 1.96 1.97 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 99 L 8.36 3.97 0.00 1.75 1.82 0.93 0.56 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 0.00 100 L 8.06 3.84 0.00 1.77 1.52 0.57 0.46 0.00 0.00 0.00 0.00 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0.00 3.37 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 126 V 7.94 3.56 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 0.99 0.00 0.00 0.98 0.00 0.00 127 Q 8.15 3.94 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 128 A 8.25 4.13 1.48 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 0.00 129 R 8.28 3.83 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 130 K 8.03 3.88 0.00 1.83 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 131 E 8.29 3.97 0.00 2.09 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 2.42 0.00 132 L 8.14 3.94 0.00 1.76 1.68 0.66 0.66 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 0.00 133 R 8.16 3.75 0.00 1.93 2.02 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 134 E 8.44 3.98 0.00 2.10 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 2.32 2.48 0.00 135 S 8.27 4.21 0.00 4.17 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 0.00 136 L 7.75 3.64 0.00 1.51 1.30 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.06 4.04 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 138 G 8.11 3.67 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 0.00 0.00 0.00 139 V 7.85 4.21 2.48 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 1.20 0.00 0.00 1.36 0.00 0.00 140 S 7.82 4.18 0.00 3.99 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 0.00 141 P 0.00 4.36 0.00 2.23 2.18 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 142 L 8.31 4.17 0.00 1.83 1.69 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.30 4.25 0.00 3.09 3.14 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 0.00 144 A 7.84 4.35 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 145 D 7.67 4.66 0.00 2.65 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 0.00 146 K 7.52 4.74 0.00 1.79 1.92 0.00 1.88 0.00 0.00 2.11 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.35 7.81 147 P 0.00 4.33 0.00 1.80 2.08 0.00 3.92 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 148 F 7.77 5.10 0.00 3.36 3.54 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 0.00 149 F 9.55 4.15 0.00 2.76 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 0.00 150 L 8.31 3.60 0.00 1.41 1.51 0.53 0.75 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 0.00 151 S 7.51 4.63 0.00 3.83 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 0.00 152 E 8.83 4.47 0.00 2.06 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 2.36 2.32 0.00 153 E 7.91 4.42 0.00 1.79 1.58 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 2.23 2.32 0.00 154 Q 7.02 3.45 0.00 1.25 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 155 S 9.09 4.76 0.00 4.20 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 0.00 156 L 9.02 4.09 0.00 1.69 1.82 0.95 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 0.00 157 V 7.79 3.69 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 1.14 0.00 0.00 0.91 0.00 0.00 158 D 8.38 4.77 0.00 3.10 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 0.00 159 C 8.02 4.39 0.00 3.23 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 0.00 160 C 7.89 4.45 0.00 3.31 3.14 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 0.00 161 L 8.24 4.37 0.00 2.13 2.09 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.62 4.24 0.00 1.92 1.82 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.50 0.00 2.11 2.23 0.00 3.86 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 2.17 2.06 0.00 164 I 7.80 3.89 2.10 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 1.56 1.16 0.86 0.00 0.00 165 L 8.21 4.07 0.00 1.94 1.80 0.86 0.35 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 0.00 166 W 8.79 4.02 0.00 3.48 3.41 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 0.00 167 R 7.86 4.32 0.00 2.10 1.94 0.00 3.43 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 168 L 7.66 3.92 0.00 1.64 1.85 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.15 0.00 1.98 1.97 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 170 V 7.54 3.73 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 0.65 0.00 0.00 0.96 0.00 0.00 171 L 7.89 4.17 0.00 1.75 1.68 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 172 G 7.89 3.84 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 0.00 0.00 0.00 173 I 7.88 4.37 1.80 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 1.25 0.82 0.82 0.00 0.00 174 E 8.53 4.55 0.00 1.88 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 2.15 2.24 0.00 175 L 8.25 4.10 0.00 1.53 1.48 0.72 0.94 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 0.00 176 P 0.00 4.52 0.00 2.18 2.14 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 177 R 8.45 3.83 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 178 Q 8.21 3.90 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.64 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 179 A 8.06 4.64 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 0.00 180 K 7.97 3.76 0.00 1.99 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.48 7.81 181 P 0.00 4.43 0.00 2.49 2.15 0.00 3.56 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 2.14 2.15 0.00 182 L 7.56 3.31 0.00 1.04 1.55 -0.51 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.54 3.96 0.00 1.74 1.62 0.84 0.77 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 0.00 184 D 8.55 4.45 0.00 2.76 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 0.00 185 Y 7.76 3.68 0.00 3.14 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 *187 E 8.10 4.12 0.00 1.96 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 2.23 2.32 0.00 188 R 7.69 3.85 0.00 1.76 1.78 0.00 3.06 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 189 Q 7.76 3.89 0.00 1.30 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 190 F 7.00 4.17 0.00 3.07 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 0.00 191 A 7.54 4.39 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 4.07 0.00 2.24 1.97 0.00 3.36 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 193 E 9.29 3.92 0.00 2.15 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 2.39 1.98 0.00 194 A 7.94 3.96 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 0.00 195 F 8.22 4.11 0.00 3.24 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.41 3.81 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 197 A 7.99 3.99 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 0.00 198 S 7.33 4.11 0.00 3.91 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 0.00 199 L 6.59 3.76 0.00 1.38 1.26 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 200 S 8.89 4.47 0.00 3.97 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 0.00 201 G 8.45 3.61 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 0.00 202 V 7.76 3.63 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 0.93 0.00 0.00 0.94 0.00 0.00 203 E 8.09 4.29 0.00 1.97 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 2.37 2.44 0.00 204 R 8.13 4.39 0.00 1.96 2.08 0.00 3.15 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 205 D 7.91 4.62 0.00 2.90 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 *207 R 7.82 3.89 0.00 1.36 1.55 0.00 2.21 0.00 0.00 2.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.63 0.00 * Residues marked with a * may have inaccurate shift predictions.