NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.2833 8.2549 117.2768 55.3798 31.5389 175.1835 21 I 3.8785 7.4991 120.3538 60.5908 38.2410 173.9685 22 K 4.3928 9.3650 127.4271 55.6909 34.1335 175.5859 23 K 4.4418 8.7402 124.3083 54.5418 34.5310 175.1317 24 I 4.9132 8.1302 126.9598 59.3469 40.0947 174.8570 25 S 5.2677 8.8373 122.3408 57.3725 65.3302 173.1337 26 I 4.9776 9.1864 124.7503 60.1366 38.7040 174.6438 27 E 5.2488 10.6599 126.8777 53.8471 33.3519 175.9278 28 G 4.2177 8.6185 111.1728 44.9304 0.0000 171.2598 29 N 4.6908 7.8491 118.4180 52.6573 39.6972 173.8034 30 I 4.0198 8.3821 121.5130 62.6987 36.1120 176.3498 31 A 3.7797 9.0992 126.1374 52.5494 16.0876 178.7347 32 A 4.2010 7.8627 122.3317 56.2534 18.6137 178.6249 33 G 3.9851 7.5379 104.7793 45.9904 0.0000 176.4732 34 K 4.0798 8.6212 121.6335 59.4199 32.1210 179.1940 35 S 4.3975 8.0462 116.1865 61.3553 62.8656 176.4511 36 T 3.9758 8.1254 117.8672 66.9876 68.2994 176.1228 37 F 4.4447 8.5520 122.3997 61.4232 39.4949 177.6014 38 V 3.3832 8.1409 118.8390 64.6645 31.0804 178.1637 39 N 4.4263 8.4589 116.7900 55.8248 38.4311 177.2971 40 I 3.8306 7.5476 121.4383 64.3923 37.1529 178.2610 41 L 3.9187 7.6827 121.0270 57.6919 41.9280 178.6058 42 K 4.2086 8.0254 119.9131 59.7589 31.8492 178.2757 43 Q 4.2242 7.7420 116.3318 57.7010 28.7393 177.9135 44 L 4.0235 7.6056 122.5447 56.5891 42.0549 178.1030 45 S 4.3885 6.8233 113.1938 55.4937 65.9149 177.9834 46 E 4.0294 8.7795 125.0121 58.6092 29.5933 177.6788 47 D 4.6048 8.0228 117.1631 55.3862 41.3894 175.1320 48 W 5.5182 7.8380 119.7420 55.1107 30.9133 175.4071 49 E 5.0026 9.5717 123.2364 54.7301 33.9180 174.4485 50 V 5.0316 8.5596 120.5482 61.3032 34.6313 175.1367 51 V 4.3514 9.0704 127.5375 60.7355 32.7199 173.2610 52 P 4.9461 0.0000 0.0000 61.7721 32.4148 176.2524 53 E 3.9025 8.9996 124.2518 55.8728 30.4928 176.6728 54 P 4.3275 0.0000 0.0000 62.2782 30.5558 178.6443 55 V 2.5337 6.9027 112.6187 63.9554 31.5549 178.0148 56 A 4.0284 7.5632 119.5449 55.0541 18.6751 179.4174 57 R 4.1211 7.7955 116.2707 58.9239 29.9791 179.1091 58 W 4.9248 8.0727 121.0354 60.0924 29.2649 178.7142 59 S 5.0322 8.2861 117.1457 61.0234 62.0885 176.2710 60 N 5.2683 7.6272 117.3497 53.0616 40.6669 173.2248 61 V 3.9542 9.0821 127.2390 62.6603 32.6627 174.8077 62 Q 4.5910 8.2121 126.2174 55.1574 32.7479 173.4570 *77 N 4.4360 8.6839 115.9122 53.7769 39.7416 175.0711 78 G 4.5614 8.9430 110.4184 44.5730 0.0000 173.5330 79 G 3.7550 8.5374 106.2431 46.3483 0.0000 172.8174 80 N 5.4887 8.7007 120.2091 51.0622 39.0363 175.3164 81 V 3.4944 8.1986 126.4864 63.6234 31.8045 177.8992 82 L 3.4705 7.8470 121.2625 58.1390 41.9974 178.5909 83 Q 4.0574 8.9550 119.6960 59.6123 28.8793 178.1342 84 M 3.9255 8.0330 119.6422 58.7468 31.7588 178.4885 85 M 4.1003 7.8850 118.1275 58.5466 32.0615 177.8681 86 Y 4.2480 7.3418 116.5082 60.7674 38.2192 177.3317 87 E 4.2926 8.3163 118.7199 57.7976 31.3480 177.4402 88 K 4.7560 8.4364 117.5268 53.5039 32.9511 175.1342 89 P 4.5681 0.0000 0.0000 65.3961 31.5853 178.4845 90 E 4.4370 8.0833 118.1074 57.8807 29.4879 178.2796 91 R 3.9151 7.7897 117.6094 57.5067 30.9396 177.1181 92 W 4.8715 7.9968 115.9633 56.4248 30.1772 178.0083 93 S 4.1886 8.0210 116.1694 61.6364 62.3515 176.1551 94 F 4.0983 8.2699 122.6459 61.6505 39.1982 177.0441 95 T 3.8700 8.1976 114.8041 66.5624 68.4125 176.0539 96 F 3.9365 8.7560 122.8730 61.5338 39.2993 177.1587 97 Q 3.7011 8.2514 117.9995 58.9115 28.4290 179.0608 98 T 2.9406 7.2505 110.7652 64.6602 68.6171 176.0278 99 Y 4.0673 7.5785 122.4445 59.9606 38.8324 177.8299 100 A 3.2160 7.5757 121.9384 55.1245 18.3676 179.2317 101 C 4.3881 8.0759 118.6957 61.9442 31.6497 175.4354 102 L 4.0403 8.2351 122.2979 58.2675 41.7485 179.1857 103 S 3.9750 8.1074 114.4492 61.1308 62.8338 176.5307 104 R 3.7782 7.8882 122.0180 59.3471 29.8461 178.5260 105 I 3.5290 7.6739 119.5724 64.1646 37.1647 178.2145 106 R 3.7332 8.0025 119.3045 59.5539 29.8938 178.4350 107 A 3.9524 7.9267 120.2765 55.2569 18.2122 179.6415 108 Q 3.7572 8.3211 116.9917 58.9983 28.2786 179.0217 109 L 3.9907 8.1560 120.0630 57.5529 41.6278 179.3826 110 A 4.0327 7.9379 120.9646 55.0042 18.0797 179.8361 111 S 4.1719 7.7983 111.6863 61.4089 63.2115 176.4619 112 L 4.1775 7.5398 122.1804 57.7096 41.4506 178.7386 113 N 4.8836 7.8775 115.0901 54.8006 39.4545 176.0959 114 G 4.1246 6.7133 107.3800 43.6067 0.0000 171.6980 115 K 4.4342 8.4740 127.3165 57.3307 35.7772 174.7588 116 L 3.4839 8.6087 127.4531 54.7449 39.8992 178.3783 117 K 3.7759 9.1373 129.0144 58.0382 30.9207 175.5317 118 D 4.8117 7.7345 116.7344 51.6106 38.6432 179.7184 119 A 4.6891 7.2405 122.9852 50.3217 22.1789 175.6160 120 E 3.7848 8.6013 124.8407 59.3600 30.0989 178.2640 121 K 4.5841 8.4020 124.6283 51.2748 32.7049 174.7712 122 P 4.8023 0.0000 0.0000 62.5558 32.8882 175.9396 123 V 4.5139 9.0493 124.0897 60.6853 34.5776 173.5788 124 L 4.9002 8.6457 130.0399 53.3624 44.2471 174.7143 125 F 5.0317 9.0890 126.0809 56.1646 41.0013 174.8488 126 F 5.3311 8.9620 123.7387 56.4075 40.6865 175.1598 127 E 4.5104 9.3515 123.8532 57.1024 29.6558 178.2391 128 R 4.5116 9.6524 125.8301 55.5495 29.8907 175.6140 129 S 4.7862 8.3915 111.8945 56.4471 67.1905 174.8658 130 V 3.9461 7.8108 113.3574 63.6102 31.0671 177.9987 131 Y 4.4817 7.3301 116.9924 60.5549 38.0542 177.6446 132 S 4.0445 8.1942 115.5814 61.1736 62.8952 175.9354 133 D 4.6074 8.0641 122.7578 57.5056 40.6658 179.1175 134 R 4.1261 7.7950 117.8623 59.5395 30.1119 177.6066 135 Y 4.4764 7.9526 113.6539 59.5346 38.4835 176.0598 136 I 4.0704 7.6939 119.5397 62.8674 38.7114 177.8213 137 F 3.9896 7.7318 117.0916 60.7482 39.2601 177.8302 138 A 3.8704 8.3638 120.6519 55.1208 18.0562 179.3893 139 S 3.3397 7.9980 111.7141 61.5452 62.3339 176.0691 140 N 4.1856 7.8929 119.3911 56.3901 38.6737 176.9893 141 L 3.9845 7.8749 120.6597 57.6031 41.5836 178.8560 142 Y 3.8722 7.6112 119.4743 60.7863 38.4940 177.8656 143 E 3.5165 7.7574 117.9475 58.9528 29.5719 178.7269 144 S 4.3268 7.6285 112.7745 58.0865 63.1788 174.4253 145 E 3.7497 7.6934 120.2055 57.1949 27.2164 175.7081 146 S 4.3319 8.1113 117.8576 60.3321 63.2714 174.0463 147 M 4.9648 7.7630 119.1453 53.1369 34.3651 175.9598 148 N 4.8471 9.6474 121.8292 52.0589 40.3628 176.1120 149 E 4.2075 8.7608 118.8927 59.8810 29.3477 179.6966 150 T 3.8672 7.9591 115.2252 66.7442 68.6469 176.1961 151 E 3.7224 8.9135 120.8546 59.3191 29.4836 179.4305 152 W 4.6488 8.5817 128.3107 60.9004 30.7089 178.2115 153 T 3.6559 8.1351 115.7678 66.4955 67.8643 176.8334 154 I 3.7645 8.1066 121.9584 64.4881 37.2116 177.5876 155 Y 4.1263 8.7492 120.8515 61.1801 38.5187 178.4926 156 Q 3.8544 8.1282 118.7520 58.6638 28.6739 178.2148 157 D 4.2887 8.2200 119.1820 57.0689 41.3166 178.0394 158 W 4.2080 8.7550 129.2164 60.8016 30.6783 177.3786 159 H 3.8280 8.8093 118.4642 59.1990 29.3234 176.7861 160 D 4.4090 8.3948 121.0321 57.2118 40.8483 178.7480 161 W 3.9171 8.2450 128.5225 60.6886 30.2498 177.4347 162 M 3.6954 8.2114 118.5399 58.8114 31.3295 178.0087 163 N 4.2514 8.0900 116.4328 56.2021 38.5612 176.8738 164 N 4.2137 7.8057 117.3897 56.4660 39.2133 175.8117 165 Q 3.4113 7.4876 119.0653 57.4133 27.8183 177.7677 166 F 4.1076 5.4600 125.3776 60.4771 40.0293 176.6425 167 G 4.0270 7.7687 111.1213 45.9869 0.0000 176.3976 168 Q 3.9777 7.5180 121.1115 57.5323 28.1262 180.9667 169 S 4.3595 7.9664 110.5521 59.7378 63.3652 174.4434 170 L 4.6581 7.2618 120.5215 54.4987 41.7375 176.5399 171 E 4.1982 7.9982 119.2385 56.3952 29.8294 176.7161 172 L 4.4945 9.1037 124.1899 55.0021 42.3684 177.0179 173 D 4.6081 8.8099 123.0959 56.6789 41.8377 176.3965 174 G 4.2682 7.5893 103.3142 45.6847 0.0000 172.2687 175 I 5.2378 8.7898 120.1793 59.4348 41.4131 174.7859 176 I 4.6317 9.0595 127.8775 59.8513 39.3492 174.1321 177 Y 5.1087 9.2032 130.6800 56.2607 39.7955 174.6081 178 L 4.4647 8.6479 128.7281 54.0571 42.3467 176.5124 179 Q 4.3005 8.6052 124.1415 54.2390 30.6709 175.0313 180 A 5.0522 8.1674 123.9175 50.2498 22.5643 176.1640 181 T 3.8944 9.3659 111.5784 60.7197 69.6740 173.9140 182 P 4.2351 0.0000 0.0000 65.7121 31.0829 178.9476 183 E 3.9573 8.0578 117.2211 59.5313 29.3825 179.1067 184 T 3.8588 7.7542 115.4470 67.0061 68.5572 176.5155 185 C 4.1692 8.2188 118.5586 62.4908 27.9693 175.9300 186 L 3.9638 8.2051 122.2362 58.3716 41.6408 178.2886 187 H 4.1204 8.4708 118.4547 59.7143 29.7912 177.4441 188 R 3.8805 8.3800 119.6020 58.8285 29.8034 179.1672 189 I 3.7248 7.9286 120.1702 64.3698 36.8726 177.6489 190 Y 4.1705 7.4776 120.1657 60.1944 38.7609 177.4852 191 L 4.2079 7.9540 118.7184 58.1659 41.8653 179.4315 192 R 4.0912 7.9131 117.0644 57.8466 30.0573 177.5606 193 G 3.7780 7.9484 104.4855 45.6407 0.0000 173.3676 194 R 3.9706 7.8227 119.2108 56.0096 30.6220 177.2468 195 N 4.2664 9.0169 120.8287 56.5249 38.7091 177.1370 196 E 4.0150 8.2329 115.4577 58.5724 29.7862 177.4203 197 E 4.0389 7.8101 116.6496 56.3729 30.7636 177.9522 198 Q 3.8702 7.7761 118.5649 58.0884 28.8146 177.8246 199 G 3.9200 7.6160 104.9391 44.9439 0.0000 173.5311 200 I 3.4906 7.4582 122.2132 60.2554 37.4807 174.4448 201 P 4.5180 0.0000 0.0000 61.8627 32.5175 176.6834 202 L 3.9445 8.7963 121.8268 58.9888 41.8088 179.4647 203 E 4.3748 8.1586 118.8970 58.8626 29.5251 178.5300 204 Y 4.0232 7.9652 119.2861 60.8034 38.8260 178.2279 205 L 4.0775 8.0761 119.3971 57.7543 41.6433 179.0548 206 E 3.5772 8.4235 118.9269 59.2653 29.2105 179.6399 207 K 3.9010 7.7527 118.2510 59.4277 32.0945 179.5084 208 L 3.7968 7.5385 118.8999 57.6170 41.3541 179.0278 209 H 4.1756 8.3239 118.6150 59.6452 29.8749 176.8675 210 Y 4.3780 7.4208 118.4426 61.1807 37.5680 179.0573 211 K 4.0569 7.9056 119.4682 59.7528 32.1699 179.1334 212 H 4.2076 8.2768 116.5172 59.0066 28.6296 177.7684 213 E 4.0693 8.5511 120.6515 59.4224 29.2529 179.3825 214 S 4.3198 8.3719 113.3362 60.7339 62.0378 176.1245 215 W 4.2599 8.4690 131.3843 60.1720 30.4159 177.4592 216 L 3.9891 8.0905 115.8244 54.1382 42.3499 176.8241 217 L 4.4115 7.3767 118.3062 56.9954 43.2990 177.1239 218 H 4.4503 8.5248 113.9152 56.4427 28.9155 175.8195 219 R 4.1232 8.1406 116.0226 56.1998 27.4573 176.9924 220 T 4.1737 7.8576 108.3706 62.4369 69.6280 174.3950 221 L 4.1853 8.0613 126.9906 54.7802 42.1221 176.1708 222 K 4.4089 8.4667 128.2376 53.2436 33.1246 172.7687 223 T 3.8148 7.9358 113.6533 59.3590 70.8148 173.6888 224 N 4.6441 8.6863 116.4818 52.6328 37.3862 175.1728 225 F 4.7578 8.2333 119.3544 56.2236 39.7659 175.9208 226 D 4.4505 8.7063 127.4966 57.1262 40.8251 178.1465 227 Y 4.2408 8.3120 117.9967 60.0010 37.7573 178.2804 228 L 3.3112 7.1015 120.4022 57.2955 41.3231 179.1770 229 Q 4.1026 7.6542 116.8688 57.6760 28.6601 176.6177 230 E 4.4681 7.5725 117.5715 55.8801 29.8182 175.5503 231 V 4.0048 7.2643 120.6393 61.6037 32.2496 174.3170 232 P 4.5480 0.0000 0.0000 62.8058 32.6594 175.0992 233 I 4.8446 8.3171 123.9315 59.3919 39.7062 174.5262 234 L 4.1128 8.3588 129.8098 53.6517 43.4342 175.0165 235 T 4.8069 8.2640 123.5123 62.2860 70.0136 174.1742 236 L 4.5689 8.8372 126.5996 52.6619 44.8949 175.1160 237 D 4.7450 8.5352 123.7306 53.5062 40.6675 176.0321 238 V 4.4718 8.5635 119.7661 61.2929 32.9280 177.9265 239 N 4.4563 8.9027 121.3435 55.9085 38.5819 175.8572 240 E 4.2939 7.2385 114.5876 54.9949 30.6852 175.8770 241 D 4.2730 8.5289 120.1127 54.5047 40.9591 177.6987 242 F 3.6815 8.5605 122.1544 59.6065 37.9041 178.0558 243 K 4.3000 8.1263 122.2256 57.3283 31.9910 183.4624 244 D 4.6503 8.3654 117.3894 57.3083 40.8933 177.3897 245 K 4.7289 8.0891 113.8306 55.2747 34.5273 177.5891 246 Y 4.2147 8.1802 121.1603 61.3439 37.6661 178.8283 247 E 4.0623 8.3249 119.4002 61.1508 29.9451 182.8544 248 S 4.3649 8.1422 115.2329 61.2620 62.9286 176.3374 249 L 3.9002 7.9347 122.5793 57.5316 41.4549 179.4098 250 V 3.6859 8.0192 118.0711 66.4373 31.3431 177.9787 251 E 4.0852 8.2571 117.8852 59.3633 29.3136 179.4192 252 K 4.1934 8.5551 119.0458 59.3727 31.9832 179.5521 253 V 3.7830 8.1183 118.5523 66.0117 31.3737 178.1638 254 K 4.2074 8.3522 118.1892 59.6248 31.7087 178.8329 255 E 4.0124 8.4713 117.9288 59.6629 29.5762 178.8277 256 F 4.4681 8.7926 120.6622 61.6713 39.2131 177.2642 257 L 3.7576 8.4889 118.8941 57.3429 41.1555 179.4674 258 S 4.2130 7.7663 113.7393 61.1359 63.0257 176.2724 259 T 4.0203 7.3425 113.1050 64.3300 68.6898 174.4177 260 L 4.0414 7.2538 125.2058 54.7661 41.6568 176.4883 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 20 R 8.25 4.28 0.00 1.92 2.11 0.00 2.99 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 21 I 7.50 3.88 1.83 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 1.33 0.63 0.83 0.00 0.00 22 K 9.37 4.39 0.00 1.43 1.52 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.43 7.81 23 K 8.74 4.44 0.00 1.56 1.16 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.11 1.21 7.81 24 I 8.13 4.91 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.73 1.13 0.00 0.00 25 S 8.84 5.27 0.00 4.24 4.29 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 26 I 9.19 4.98 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 1.04 0.00 0.00 27 E 10.66 5.25 0.00 1.89 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 0.00 2.34 2.29 0.00 28 G 8.62 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.85 4.69 0.00 2.80 2.79 0.00 0.00 6.88 7.67 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 30 I 8.38 4.02 2.06 0.00 0.00 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 1.68 1.02 1.07 0.00 0.00 31 A 9.10 3.78 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.86 4.20 1.40 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 0.00 0.00 0.00 33 G 7.54 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.62 4.08 0.00 1.93 1.99 0.00 1.99 0.00 0.00 1.97 0.00 0.00 3.26 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.63 7.81 35 S 8.05 4.40 0.00 3.93 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 36 T 8.13 3.98 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 37 F 8.55 4.44 0.00 3.29 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 38 V 8.14 3.38 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 0.85 0.00 0.00 0.67 0.00 0.00 39 N 8.46 4.43 0.00 2.77 2.95 0.00 0.00 7.06 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.55 3.83 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.87 0.00 0.00 41 L 7.68 3.92 0.00 1.27 1.40 0.92 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.03 4.21 0.00 2.16 1.97 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.67 7.81 43 Q 7.74 4.22 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 44 L 7.61 4.02 0.00 0.80 1.35 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.82 4.39 0.00 3.69 3.65 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 46 E 8.78 4.03 0.00 1.85 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 2.28 2.40 0.00 47 D 8.02 4.60 0.00 2.82 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 7.84 5.52 0.00 3.31 3.31 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 49 E 9.57 5.00 0.00 1.88 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 2.31 2.44 0.00 50 V 8.56 5.03 2.19 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 0.93 0.00 0.00 1.08 0.00 0.00 51 V 9.07 4.35 2.33 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 0.87 0.00 0.00 1.19 0.00 0.00 52 P 0.00 4.95 0.00 1.93 1.96 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 53 E 9.00 3.90 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.18 0.00 54 P 0.00 4.33 0.00 1.80 1.80 0.00 3.26 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 55 V 6.90 2.53 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 0.57 0.00 0.00 0.80 0.00 0.00 56 A 7.56 4.03 1.24 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 0.00 0.00 57 R 7.80 4.12 0.00 2.02 2.14 0.00 3.10 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 58 W 8.07 4.92 0.00 3.73 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 81 V 8.20 3.49 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 0.94 0.00 0.00 0.89 0.00 0.00 82 L 7.85 3.47 0.00 2.07 2.02 0.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.96 4.06 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 84 M 8.03 3.93 0.00 1.07 1.71 0.00 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.87 0.00 85 M 7.88 4.10 0.00 1.39 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 86 Y 7.34 4.25 0.00 2.99 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 87 E 8.32 4.29 0.00 1.99 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 2.49 0.00 88 K 8.44 4.76 0.00 2.23 1.82 0.00 2.01 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 P 0.00 4.57 0.00 2.29 2.45 0.00 3.90 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 2.10 1.95 0.00 90 E 8.08 4.44 0.00 1.94 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 2.30 2.22 0.00 91 R 7.79 3.92 0.00 1.56 1.85 0.00 2.68 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 92 W 8.00 4.87 0.00 3.72 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 93 S 8.02 4.19 0.00 4.15 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 94 F 8.27 4.10 0.00 3.16 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 95 T 8.20 3.87 4.89 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 1.45 0.00 0.00 96 F 8.76 3.94 0.00 3.03 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 97 Q 8.25 3.70 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 98 T 7.25 2.94 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 99 Y 7.58 4.07 0.00 2.91 2.83 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 0.00 100 A 7.58 3.22 0.12 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 0.00 0.00 101 C 8.08 4.39 0.00 3.24 3.42 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 0.00 102 L 8.24 4.04 0.00 2.16 1.92 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.11 3.97 0.00 3.94 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.89 3.78 0.00 2.00 2.11 0.00 3.00 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 105 I 7.67 3.53 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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114 G 6.71 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 0.00 0.00 0.00 115 K 8.47 4.43 0.00 1.89 1.74 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.25 7.81 116 L 8.61 3.48 0.00 1.86 0.96 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 117 K 9.14 3.78 0.00 1.89 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.98 7.81 118 D 7.73 4.81 0.00 2.68 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 0.00 119 A 7.24 4.69 1.24 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 0.00 0.00 120 E 8.60 3.78 0.00 1.92 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 2.30 2.40 0.00 121 K 8.40 4.58 0.00 1.78 1.55 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 1.20 7.81 122 P 0.00 4.80 0.00 2.09 2.23 0.00 3.60 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 2.05 1.96 0.00 123 V 9.05 4.51 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 -0.04 0.00 0.00 0.71 0.00 0.00 124 L 8.65 4.90 0.00 1.54 1.09 1.02 0.94 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 0.00 125 F 9.09 5.03 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.96 5.33 0.00 3.10 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 0.00 127 E 9.35 4.51 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 2.44 2.56 0.00 128 R 9.65 4.51 0.00 2.13 2.26 0.00 3.50 0.00 0.00 3.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.74 0.00 129 S 8.39 4.79 0.00 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.81 3.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.15 0.00 0.00 131 Y 7.33 4.48 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.19 4.04 0.00 4.47 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.06 4.61 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.80 4.13 0.00 1.70 1.57 0.00 2.79 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.65 0.00 135 Y 7.95 4.48 0.00 2.83 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 0.00 136 I 7.69 4.07 1.52 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 1.30 1.31 0.21 0.00 0.00 137 F 7.73 3.99 0.00 3.36 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 0.00 138 A 8.36 3.87 1.10 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 0.00 139 S 8.00 3.34 0.00 4.16 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 0.00 140 N 7.89 4.19 0.00 2.85 2.80 0.00 0.00 7.21 6.53 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 0.00 141 L 7.87 3.98 0.00 1.82 1.69 0.96 0.82 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 0.00 142 Y 7.61 3.87 0.00 1.92 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 0.00 0.00 0.00 0.00 143 E 7.76 3.52 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 144 S 7.63 4.33 0.00 3.94 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 0.00 145 E 7.69 3.75 0.00 2.07 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 0.00 2.09 2.13 0.00 146 S 8.11 4.33 0.00 4.02 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 0.00 147 M 7.76 4.96 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 148 N 9.65 4.85 0.00 3.00 3.00 0.00 0.00 6.79 8.22 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 0.00 149 E 8.76 4.21 0.00 2.10 2.17 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 2.57 2.47 0.00 150 T 7.96 3.87 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 1.15 0.00 0.00 151 E 8.91 3.72 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 152 W 8.58 4.65 0.00 3.26 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 0.00 153 T 8.14 3.66 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 1.17 0.00 0.00 154 I 8.11 3.76 2.03 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 1.11 0.00 0.00 155 Y 8.75 4.13 0.00 3.38 3.32 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 0.00 156 Q 8.13 3.85 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 157 D 8.22 4.29 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 0.00 158 W 8.76 4.21 0.00 3.46 3.30 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 0.00 159 H 8.81 3.83 0.00 2.98 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.39 4.41 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.24 3.92 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 M 8.21 3.70 0.00 1.47 1.22 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.98 0.00 163 N 8.09 4.25 0.00 3.02 2.98 0.00 0.00 6.66 6.43 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 0.00 164 N 7.81 4.21 0.00 2.65 2.67 0.00 0.00 7.31 6.59 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 0.00 165 Q 7.49 3.41 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 166 F 5.46 4.11 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.77 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 7.52 3.98 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 169 S 7.97 4.36 0.00 3.98 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 0.00 170 L 7.26 4.66 0.00 1.79 1.83 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.00 4.20 0.00 1.75 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 1.79 2.28 0.00 172 L 9.10 4.49 0.00 1.88 1.76 1.33 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.81 4.61 0.00 2.45 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 7.59 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 0.00 0.00 0.00 0.00 175 I 8.79 5.24 1.76 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 1.29 0.68 0.71 0.00 0.00 176 I 9.06 4.63 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.91 0.00 0.00 177 Y 9.20 5.11 0.00 2.75 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 0.00 178 L 8.65 4.46 0.00 1.49 1.43 0.80 0.28 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 0.00 179 Q 8.61 4.30 0.00 1.70 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 180 A 8.17 5.05 1.12 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 0.00 0.00 181 T 9.37 3.89 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 182 P 0.00 4.24 0.00 2.11 2.08 0.00 3.47 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 183 E 8.06 3.96 0.00 1.98 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 2.39 2.39 0.00 184 T 7.75 3.86 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 1.21 0.00 0.00 185 C 8.22 4.17 0.00 3.13 3.25 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 0.00 186 L 8.21 3.96 0.00 1.88 1.85 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.47 4.12 0.00 3.28 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.38 3.88 0.00 2.00 2.01 0.00 3.27 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 189 I 7.93 3.72 2.06 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 1.45 1.21 0.98 0.00 0.00 190 Y 7.48 4.17 0.00 2.90 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 0.00 191 L 7.95 4.21 0.00 1.75 1.73 0.77 1.12 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 0.00 192 R 7.91 4.09 0.00 1.83 2.05 0.00 3.33 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 193 G 7.95 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 0.00 194 R 7.82 3.97 0.00 2.03 1.90 0.00 3.38 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 195 N 9.02 4.27 0.00 2.73 2.83 0.00 0.00 7.13 7.66 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 0.00 196 E 8.23 4.02 0.00 2.04 2.22 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 2.53 2.45 0.00 197 E 7.81 4.04 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 198 Q 7.78 3.87 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 199 G 7.62 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 0.00 200 I 7.46 3.49 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.00 0.94 0.00 0.00 201 P 0.00 4.52 0.00 2.40 2.18 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 202 L 8.80 3.94 0.00 1.79 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.16 4.37 0.00 2.15 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 0.00 2.44 2.48 0.00 204 Y 7.97 4.02 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.08 4.08 0.00 1.90 1.74 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.42 3.58 0.00 1.99 1.57 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 2.24 2.50 0.00 207 K 7.75 3.90 0.00 1.81 1.69 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 208 L 7.54 3.80 0.00 1.78 1.61 1.10 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 209 H 8.32 4.18 0.00 3.21 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 7.42 4.38 0.00 3.07 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 0.00 211 K 7.91 4.06 0.00 1.79 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.53 7.81 212 H 8.28 4.21 0.00 3.49 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.55 4.07 0.00 2.22 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 2.45 2.42 0.00 214 S 8.37 4.32 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 8.47 4.26 0.00 3.36 3.25 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 0.00 216 L 8.09 3.99 0.00 0.64 1.00 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.38 4.41 0.00 1.62 1.59 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 218 H 8.52 4.45 0.00 3.17 3.33 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 R 8.14 4.12 0.00 1.93 1.99 0.00 3.18 0.00 0.00 2.27 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 220 T 7.86 4.17 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 1.29 0.00 0.00 221 L 8.06 4.19 0.00 1.70 1.75 0.95 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 222 K 8.47 4.41 0.00 1.81 1.57 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 0.98 7.81 223 T 7.94 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 224 N 8.69 4.64 0.00 2.75 2.93 0.00 0.00 6.81 7.06 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 0.00 225 F 8.23 4.76 0.00 3.01 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 0.00 226 D 8.71 4.45 0.00 2.78 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 0.00 227 Y 8.31 4.24 0.00 3.27 3.25 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 0.00 228 L 7.10 3.31 0.00 1.56 1.51 0.49 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 229 Q 7.65 4.10 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 230 E 7.57 4.47 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 231 V 7.26 4.00 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 0.76 0.00 0.00 1.04 0.00 0.00 232 P 0.00 4.55 0.00 2.48 2.14 0.00 3.84 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 233 I 8.32 4.84 1.75 0.00 0.00 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 1.03 0.66 0.74 0.00 0.00 234 L 8.36 4.11 0.00 0.27 0.85 0.66 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 235 T 8.26 4.81 4.16 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 1.04 0.00 0.00 236 L 8.84 4.57 0.00 1.15 1.20 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 237 D 8.54 4.75 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 V 8.56 4.47 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 0.45 0.00 0.00 0.89 0.00 0.00 239 N 8.90 4.46 0.00 2.83 2.85 0.00 0.00 6.88 8.52 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 0.00 240 E 7.24 4.29 0.00 1.98 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 2.40 0.00 241 D 8.53 4.27 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 F 8.56 3.68 0.00 2.18 1.75 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 0.00 243 K 8.13 4.30 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.03 7.81 244 D 8.37 4.65 0.00 2.85 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 0.00 245 K 8.09 4.73 0.00 1.87 1.81 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.41 7.81 246 Y 8.18 4.21 0.00 3.44 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 E 8.32 4.06 0.00 1.97 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 2.31 1.94 0.00 248 S 8.14 4.36 0.00 4.05 4.19 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 0.00 249 L 7.93 3.90 0.00 1.83 1.66 0.30 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 250 V 8.02 3.69 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 1.09 0.00 0.00 0.87 0.00 0.00 251 E 8.26 4.09 0.00 2.40 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 2.37 2.49 0.00 252 K 8.56 4.19 0.00 1.95 1.87 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 253 V 8.12 3.78 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 1.20 0.00 0.00 1.16 0.00 0.00 254 K 8.35 4.21 0.00 2.15 2.00 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.84 1.91 7.81 255 E 8.47 4.01 0.00 2.19 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 0.00 2.41 2.49 0.00 256 F 8.79 4.47 0.00 3.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 L 8.49 3.76 0.00 1.76 1.63 0.49 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 258 S 7.77 4.21 0.00 3.99 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 T 7.34 4.02 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 1.27 0.00 0.00 260 L 7.25 4.04 0.00 1.45 1.45 0.45 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.