NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2527 8.4444 118.8015 55.8775 31.7433 175.6994 5 R 3.7148 8.1144 119.9510 54.3160 30.0714 173.6986 6 P 4.6627 0.0000 0.0000 62.0131 33.8676 175.1264 7 T 4.3717 8.2039 114.9238 63.7458 69.5034 174.1616 8 F 5.4155 9.0273 123.1786 56.0858 42.2810 174.2278 9 Y 5.1304 9.3054 117.6482 55.7486 41.4796 174.2936 10 R 5.4640 8.7907 119.3049 54.2182 33.3242 175.2520 11 Q 4.6396 8.3093 116.1978 55.4644 31.6986 172.3863 12 E 4.9228 8.9704 123.4249 55.1610 30.7193 175.0763 13 L 4.5999 9.3950 130.3623 54.9505 44.5639 177.4289 14 N 4.0688 10.0204 124.3112 54.0079 34.6550 172.2532 15 K 4.2765 8.3857 117.5326 55.1608 30.2447 177.6530 16 T 4.8243 8.1193 113.5752 61.1730 70.9358 172.9926 17 I 4.6138 8.5341 128.9824 61.1321 38.3778 175.2775 18 W 4.6351 9.5438 127.5192 55.3760 31.0917 174.5229 19 E 4.8919 9.2791 128.0741 53.7834 28.4501 175.2700 20 V 4.2122 7.5254 117.6857 58.0508 35.6751 173.0921 21 P 4.0964 0.0000 0.0000 62.0492 32.0988 177.6116 22 E 4.0336 8.5173 120.7719 59.6963 29.7167 178.6842 23 R 3.8041 7.7190 118.6014 58.1782 30.9830 175.6910 24 Y 5.1999 7.3726 115.2399 56.5766 39.4218 175.5049 25 Q 4.9653 9.3622 122.5209 53.1462 33.6528 174.4316 26 N 4.2495 8.7929 112.4107 54.5094 35.2402 171.4726 27 L 4.8520 7.9582 119.3149 53.1163 43.3410 175.5063 28 S 4.6049 8.8061 119.5262 55.4931 65.1404 171.2138 29 P 4.6949 0.0000 0.0000 63.0393 30.9953 176.5810 30 V 4.1562 8.4740 117.7613 61.2883 33.8677 176.0965 *37 S 4.3276 7.7069 114.3882 58.1208 64.6360 172.8588 38 V 4.9888 8.3590 122.0506 61.6277 34.0914 173.8817 39 C 5.2046 9.4989 124.0845 57.7816 31.8038 173.1247 40 A 4.9317 9.1839 125.4108 51.0750 19.4658 175.9649 41 A 5.6292 9.0619 124.1820 49.8666 22.5995 174.6672 42 F 4.8774 9.3494 124.4590 57.3366 41.1895 173.9951 43 D 4.9642 8.4601 127.2001 53.5655 41.4392 177.2267 44 T 3.8571 9.1055 117.4817 64.5464 69.3679 176.4992 45 K 3.7457 7.5605 122.4496 59.3059 32.1641 177.6863 46 T 4.0003 7.8641 106.9726 62.0960 69.3713 175.4024 47 G 3.5331 7.9778 109.2450 45.7797 0.0000 172.7812 48 L 4.6680 7.1225 118.5378 52.5978 44.8901 175.3393 49 R 4.7825 8.3253 118.9183 55.5956 31.6690 176.3983 50 V 4.6364 9.2912 116.4310 59.4633 36.3009 174.1712 51 A 5.1517 8.9732 124.9876 50.4297 21.1824 176.0232 52 V 4.6805 8.9669 123.1765 60.9070 34.6736 174.0372 53 K 4.7685 9.1824 130.0360 54.6851 34.0589 174.6330 54 K 3.7052 8.2051 129.9626 54.3471 32.5907 176.1739 55 L 3.7465 7.3705 128.4874 54.6200 42.1349 177.3350 56 S 3.8258 8.4840 118.7979 58.4504 62.4224 174.2554 57 R 3.5030 8.3188 128.8926 56.2507 27.3100 174.4283 58 P 3.9315 0.0000 0.0000 64.2827 31.6000 178.6411 59 F 4.9696 7.1991 115.9881 57.2958 39.5411 175.4890 60 Q 4.5980 7.8786 116.7585 55.1934 29.1678 176.1650 61 S 4.6605 7.3241 111.2251 56.9548 66.0946 177.2542 62 I 3.9455 7.8962 124.1166 64.5180 36.8467 178.9687 63 I 3.7609 7.6697 120.2416 64.6993 37.2285 177.6545 64 H 4.1108 8.3940 117.0492 58.9787 28.5712 177.5408 65 A 4.3148 8.0980 123.5129 54.4811 18.3146 179.4923 66 K 2.6548 7.9121 117.9382 59.2606 32.2052 178.5228 67 R 3.8040 8.0851 119.3250 60.0792 29.3591 177.9690 68 T 3.6867 8.1644 115.3148 66.9456 68.4598 175.4621 69 Y 4.1247 8.0593 120.7779 61.1033 38.8333 177.8950 70 R 3.7054 7.8435 119.0376 59.7574 30.0323 177.4518 71 E 3.7713 8.2975 118.4988 59.6172 29.6214 179.0555 72 L 3.8383 7.5684 119.6535 57.8712 41.8296 179.2278 73 R 3.7458 7.4072 117.4891 59.0256 30.3363 178.5128 74 L 4.0855 8.4053 119.0881 57.9989 41.5581 179.7429 75 L 4.1445 8.1074 118.8628 57.5898 41.3591 179.0801 76 K 4.4136 8.0019 115.0214 57.7021 31.8773 176.6877 77 H 4.6647 7.7904 118.8391 57.6581 31.6921 173.6876 78 M 4.5628 8.0659 119.7414 55.6812 30.7806 176.0739 79 K 4.5521 9.1736 125.4957 54.3287 32.3437 175.2903 80 H 4.5267 7.2822 119.9386 53.6505 33.3083 173.9808 81 E 4.0339 8.3529 123.6635 58.4749 29.7002 177.4897 82 N 5.6295 8.0112 114.0923 51.9045 39.4223 173.4958 83 V 4.5848 7.2926 118.4673 60.6346 33.5117 174.8987 84 I 3.6105 7.9764 127.8859 61.6827 38.1114 175.0756 85 G 4.2891 8.6998 115.4583 44.2903 0.0000 172.5656 86 L 4.4155 8.4485 123.2557 54.2554 42.5712 176.1675 87 L 4.6041 8.6792 126.7288 56.8379 42.7946 176.9957 88 D 5.2978 7.8767 117.2068 52.7767 45.0344 174.1187 89 V 4.8780 8.3898 124.3221 59.9100 33.9854 174.5083 90 F 5.3276 8.7441 119.2767 55.6835 41.6669 173.2012 91 T 5.3888 8.8253 112.7275 60.1276 70.1726 172.8952 92 P 3.0294 0.0000 0.0000 64.6625 31.6892 176.8914 93 A 4.0009 7.2375 120.7700 53.2205 18.4422 177.5321 94 R 4.4203 8.7477 121.0360 56.9722 31.3097 176.3279 95 S 4.6631 7.5394 111.0701 56.5790 66.0913 174.8245 96 L 2.7970 8.0434 123.0558 57.9530 41.7545 179.1269 97 E 3.9859 7.9461 116.2098 58.3126 29.5145 176.9014 98 E 4.3764 7.7075 117.4196 55.6063 30.1825 175.8265 99 F 4.7703 7.8074 120.0512 58.9640 37.8854 174.0356 100 N 5.0305 8.5127 122.5568 52.1906 40.6913 174.5362 101 D 4.6819 7.9159 117.3145 52.0866 44.4719 174.8368 102 V 4.6545 7.7519 122.2095 61.2833 34.8883 173.6006 103 Y 4.8505 8.7659 124.2233 55.9828 41.7606 174.3332 104 L 5.0066 8.2732 122.0112 52.8072 45.3692 175.5706 105 V 4.9770 9.0593 123.0944 61.3944 34.6994 174.4095 106 T 4.9977 8.7993 116.4233 60.0566 72.9316 172.6063 107 H 4.6188 8.7301 118.5853 55.8710 29.2867 175.5320 108 L 4.3783 8.1213 123.1905 55.2355 43.0322 175.5451 109 M 4.6318 8.5209 122.7140 53.8603 34.8818 176.1912 110 G 3.9430 8.7735 105.9160 48.5186 0.0000 173.9997 111 A 4.9812 8.3407 122.0000 49.9831 22.8056 174.8096 112 D 5.1613 8.5167 118.5359 51.9375 41.3301 177.5993 113 L 4.1404 8.7513 119.6041 56.7861 41.6546 179.1929 114 N 4.3495 7.7445 117.1310 56.0882 38.9377 177.1666 115 N 4.4325 8.2717 117.0387 56.3376 39.1780 177.0215 116 I 3.8504 7.9562 118.2581 64.4404 37.2564 177.4166 117 V 4.2699 7.1779 120.3280 65.1765 32.1091 177.8498 118 K 4.1482 7.8527 124.4853 54.7763 29.3776 181.5901 *120 Q 4.1204 7.7636 121.8403 54.9073 29.1308 177.1602 121 K 4.4773 8.4380 127.2756 54.5661 32.6127 173.6443 122 L 4.7721 8.1083 122.3792 53.5167 43.3508 176.9818 123 T 4.2765 8.4204 113.0336 61.1787 70.7320 175.2378 124 D 4.3789 8.8774 120.1999 57.8068 41.2964 177.6760 125 D 4.6505 8.1318 117.8829 57.2360 41.3587 177.5238 126 H 4.2593 7.7983 115.9836 59.2498 29.8623 177.4151 127 V 3.6462 8.0885 120.0830 66.1946 31.4454 177.7672 128 Q 4.1708 8.6697 118.1908 59.2694 28.6566 178.8462 129 F 3.9466 8.3318 121.0349 60.3110 39.3956 177.6260 130 L 3.8678 7.8343 118.6952 57.7854 41.5515 179.3589 131 I 3.7342 8.1289 120.1157 64.2122 36.9604 177.6740 132 Y 3.1403 7.9230 120.4193 60.6169 38.4910 178.2482 133 Q 3.5270 7.1496 117.1545 58.9596 28.8387 179.0629 134 I 3.5451 7.3086 120.3523 64.5335 37.2749 178.5758 135 L 3.9168 7.6626 119.5666 57.3231 40.0635 179.5494 136 R 3.7014 7.6771 119.2868 59.1066 29.9421 178.8151 137 G 3.5349 8.1509 105.9269 47.5715 0.0000 175.4895 138 L 3.7515 7.4903 121.1427 57.5470 41.6784 179.3548 139 K 4.4302 7.6296 118.8335 59.7245 31.6360 177.8345 140 Y 3.9774 7.3113 119.3846 60.3088 39.0465 177.2955 141 I 3.4738 7.5362 120.6684 64.6885 37.2214 178.1513 142 H 4.4271 9.7698 118.5614 58.4114 28.4009 178.0636 143 S 4.2345 7.7474 113.4970 60.3284 62.6866 175.0785 144 A 4.4629 7.1933 123.4202 50.7832 19.8526 176.1357 145 D 4.3621 7.9770 117.1750 57.0360 40.6013 173.6856 146 I 4.6318 7.7231 119.3728 59.9626 40.8442 175.8634 147 I 4.7415 8.0157 120.7290 58.0506 38.8876 174.6126 148 H 4.2520 9.6994 127.5975 57.8396 29.9409 179.2569 149 R 4.1255 8.3252 116.6843 57.1092 29.2544 177.4459 150 D 5.0423 8.3034 115.3119 53.6848 41.5562 175.6639 151 L 4.0198 8.0429 120.6933 54.6826 42.9767 175.5390 152 K 3.7708 8.3853 122.6943 54.8104 35.3016 174.5443 153 P 4.0740 0.0000 0.0000 66.0062 31.2484 178.3688 154 S 4.6091 8.1700 109.0588 59.2029 63.1315 173.7895 155 N 5.0239 8.5697 117.7421 52.3183 39.4518 173.3335 156 L 5.0698 7.9172 119.8078 53.4214 44.1230 175.1671 157 A 5.2137 8.7287 126.0437 50.1627 22.1063 175.2784 158 V 5.4559 9.1360 113.7804 58.8251 36.7523 175.6552 159 N 5.2700 8.2643 120.2537 51.6506 39.8202 175.0013 160 E 4.0278 8.9564 117.1304 60.7841 29.7760 178.1877 161 D 4.5149 8.1094 115.1272 53.4437 39.9896 177.8181 162 C 3.9065 7.8922 115.7690 62.2413 26.2510 173.3175 *163 E 4.2712 8.6052 119.1514 56.2741 30.4380 178.3778 164 L 5.0685 8.9363 127.6281 52.3514 44.7726 175.2170 165 K 4.8804 9.1934 124.4761 54.6322 35.8154 175.2545 166 I 4.4475 8.9665 126.2000 60.5032 38.1080 174.9420 167 L 4.4978 8.7258 127.6015 53.3631 43.9368 175.9767 168 D 4.1209 8.4490 118.7604 54.9444 38.2947 174.3573 169 F 3.8420 7.0559 112.5318 57.2934 38.5262 175.4569 170 G 4.0618 8.6138 108.2094 46.2542 0.0000 174.0273 171 L 3.8566 7.2723 118.5545 55.0379 41.1456 177.3603 172 A 3.8744 8.3019 122.3808 53.7480 19.3076 178.6425 173 R 4.3243 8.1022 116.6582 55.9671 31.5636 173.3067 *184 A 3.3570 8.4314 124.6452 51.1529 20.3587 177.8574 185 T 4.2416 7.2934 108.8307 63.1196 68.7413 176.5802 186 R 3.8074 8.2001 117.6763 59.0406 29.5068 179.0951 187 W 4.4701 7.6523 117.5615 59.3196 29.1603 176.0305 188 Y 4.9125 7.5979 112.3338 57.4962 38.5100 175.4273 189 R 4.2675 8.9628 122.5511 55.0259 30.8994 175.9355 190 A 3.0043 8.6194 128.4136 51.4667 19.0652 176.3922 191 P 4.0742 0.0000 0.0000 65.2585 31.5239 178.0585 192 E 4.2210 7.8377 113.8609 57.8850 29.5557 176.9409 193 I 4.6560 7.5862 120.0842 61.5918 38.5487 175.1918 194 M 4.5280 7.9972 118.8768 56.0818 33.4986 175.2050 *201 N 4.6056 7.7486 113.8958 52.1727 39.5214 179.6746 202 Q 3.9052 8.5455 116.6832 60.2417 28.8758 179.5292 203 T 4.2085 7.4607 101.8345 62.8826 68.5985 176.3239 204 V 3.7387 8.1188 118.3773 64.5643 31.4462 177.7204 205 D 4.7364 8.1712 117.5547 56.2642 40.9450 178.5956 206 I 3.7713 7.8195 120.7154 63.8512 37.2845 177.5066 207 W 4.0772 7.9181 128.8690 60.8821 30.5529 177.9717 208 S 4.5015 8.0408 113.3893 62.2293 62.3058 176.3697 209 V 3.6125 8.3686 120.9389 66.2043 31.1431 177.8759 210 G 3.7321 8.3499 104.7783 48.4358 0.0000 175.0844 211 C 4.0387 7.8750 118.2966 62.5128 28.1346 176.2733 212 I 3.9510 7.9034 121.4979 64.3392 36.9353 177.9416 213 M 3.9639 8.4534 119.3211 58.4757 31.9898 178.0696 214 A 3.6699 7.8582 120.7540 55.2366 18.5210 179.2364 215 E 4.4938 7.6322 118.3060 58.9929 29.7870 179.0507 216 L 4.0637 7.9743 119.0481 57.4453 41.4135 179.4567 217 L 4.0778 7.5662 118.2507 58.3990 41.7817 178.4340 218 T 4.3105 8.4727 109.5543 60.1204 69.0681 174.1825 219 G 4.1057 7.4822 112.5726 44.7231 0.0000 173.4059 220 R 4.6655 7.8532 116.9931 54.1442 34.3610 174.7780 221 T 4.6430 8.0446 116.7258 62.6021 69.1980 174.8034 222 L 3.8087 8.4290 128.5723 57.6982 42.5903 177.3604 223 F 5.0669 7.2134 115.0379 55.3724 39.1237 174.4990 224 P 2.9700 0.0000 0.0000 60.6536 30.3156 177.0808 225 G 3.9363 8.0018 111.0770 46.0428 0.0000 172.3059 226 T 4.2654 9.2991 113.4324 63.5089 69.5163 174.6669 227 D 4.8241 7.6567 120.3657 51.0963 43.4860 175.5377 228 H 4.0441 8.8319 116.0971 58.5336 28.5517 178.1953 229 I 3.6363 7.6081 121.9512 64.0738 37.2272 177.4293 230 D 4.3300 8.2757 118.3075 57.5284 40.9506 177.5934 231 Q 3.9349 8.2548 120.1758 59.5569 28.9450 179.0691 232 L 3.8721 7.3789 119.8260 57.6667 41.6151 179.2352 233 K 3.9074 7.9425 119.0777 59.5267 31.8230 178.8275 234 L 3.9205 7.8018 118.9133 57.7901 41.6131 179.1796 235 I 2.9495 6.9518 119.2966 64.4418 36.9749 178.5285 236 L 4.0261 8.3692 119.7532 57.7432 41.1991 179.5517 237 R 3.8357 8.0713 117.9690 58.2894 30.1488 177.0247 238 L 4.3694 7.3956 118.5592 56.9438 43.0934 178.7171 239 V 3.7288 8.3151 111.3733 62.6594 31.8255 177.9947 240 G 4.1064 8.3594 107.1015 45.6950 0.0000 174.0251 241 T 4.0037 7.8438 112.8217 59.6064 69.0450 173.8482 242 P 4.4164 0.0000 0.0000 62.1869 32.1053 177.3755 243 G 3.8026 8.4760 107.3804 44.4893 0.0000 174.7918 244 A 3.6224 8.4954 122.9120 54.1986 18.3740 180.0089 245 E 3.8678 8.0333 118.0337 59.4251 29.9849 178.3951 246 L 4.0058 7.8519 119.8571 58.1374 41.9694 178.7403 247 L 4.0528 8.5524 119.2318 57.5896 41.5672 179.2809 248 K 4.1636 7.6093 116.9620 59.0045 32.0283 179.3557 249 K 4.0874 7.6722 117.8265 58.5140 32.4712 177.8003 250 I 3.6266 6.9681 118.0335 61.9021 37.5668 175.9913 251 S 4.3645 8.6223 118.3214 59.7413 64.0228 174.8147 252 S 4.6222 7.7153 115.5131 56.5743 64.1307 174.0422 253 E 3.9200 8.6531 129.7847 59.4914 29.5452 179.0672 254 S 4.1287 8.0640 113.6823 61.2839 63.0616 176.2150 255 A 4.0720 7.9827 124.0612 54.9626 18.2009 179.7353 256 R 3.8394 8.1929 116.7551 59.6729 29.9194 179.1438 257 N 4.4315 8.5584 115.8684 55.7359 38.2020 176.4066 258 Y 4.3794 7.3404 121.7799 59.1062 39.2551 177.0792 259 I 3.6385 7.7478 123.4728 64.6665 36.9512 178.8991 260 Q 3.9486 7.8951 120.7786 60.3584 28.2517 180.4789 261 S 4.3236 7.5936 116.0878 59.7652 62.7193 174.1720 262 L 4.5727 6.6122 121.6119 52.6513 43.0208 176.4523 263 T 3.8226 8.1740 111.8770 61.9413 68.9625 173.9107 264 Q 4.1918 8.3001 123.6945 55.4660 28.4918 174.6831 265 M 4.5604 8.1980 125.7810 53.7846 33.9994 174.7493 266 P 4.8018 0.0000 0.0000 61.7698 34.0501 174.5151 267 K 4.4192 8.3851 121.5003 56.1513 32.7035 176.1597 268 M 4.2261 8.5858 128.1307 54.8629 32.9979 176.4213 269 N 4.5232 8.7936 121.4572 53.6095 39.8773 175.5868 270 F 4.1690 9.4023 127.9873 60.5314 38.8129 177.3408 271 A 4.1412 8.3382 119.4898 55.2010 18.3079 178.7340 272 N 4.4863 8.0542 113.3761 55.1864 38.8425 177.4110 273 V 3.6008 7.4650 118.7130 64.0542 33.6300 176.5013 274 F 4.6937 8.3081 118.7684 55.4276 37.6424 175.0317 275 I 3.5866 7.4366 120.2506 65.4512 37.0332 176.8185 276 G 3.9918 8.9415 113.7739 44.8428 0.0000 172.5660 277 A 4.1506 7.5049 121.8381 51.2723 19.1853 176.8428 278 N 4.2787 8.8847 118.4407 53.5817 39.4093 173.8854 279 P 4.2551 0.0000 0.0000 66.5231 30.9511 178.0828 280 L 4.0319 8.5165 117.8192 56.8408 41.5118 179.3302 281 A 2.6686 8.1402 121.5739 54.6568 18.0800 179.8058 282 V 3.3749 7.3899 114.9411 65.9687 31.9926 177.1840 283 D 4.2908 8.0039 117.7681 57.1398 40.6658 177.7974 284 L 3.5880 7.5231 120.8819 58.2796 41.9325 179.1113 285 L 3.8450 7.5796 118.2262 57.3113 41.1551 179.3927 286 E 3.0583 7.2285 118.2584 58.7928 29.7011 178.8093 287 K 4.1526 7.7475 116.7465 58.1806 32.1762 178.3609 288 M 4.2821 7.2670 117.5921 55.3166 33.9073 176.6304 289 L 4.1772 7.7115 120.0986 52.7394 40.7686 175.1370 290 V 4.6896 7.7926 111.5495 59.3099 35.2147 176.4807 291 L 4.0077 8.8373 124.7187 57.2649 41.6733 176.4958 292 D 4.4526 8.0790 118.2115 54.0522 40.3481 176.4761 293 S 4.4364 8.5588 121.8441 60.1088 63.5360 174.9287 294 D 4.6136 8.1951 119.8297 55.2871 41.2341 177.0175 295 K 4.4487 8.0830 116.1472 55.9583 33.1608 176.5656 296 R 4.1769 7.4303 118.8675 55.8456 30.7861 176.0799 297 I 4.0781 8.1134 125.9683 61.7684 38.7511 175.8998 298 T 4.4254 9.0931 119.6052 60.8559 70.6039 175.8968 299 A 3.8979 8.7653 122.6686 55.3057 18.1724 179.5643 300 A 3.9554 7.9343 117.3181 55.3793 18.8594 179.3371 301 Q 4.1145 7.9102 116.2940 59.3007 28.3719 179.1341 302 A 4.2025 8.0099 121.3093 55.1157 18.1045 179.6371 303 L 4.0183 7.6659 116.8179 57.3924 41.8527 178.0034 304 A 4.1872 7.7660 119.3173 52.9079 19.4021 177.1307 305 H 4.3370 7.9695 115.9596 55.4762 30.7555 175.8521 306 A 3.9798 8.5750 128.4997 55.7118 18.1998 179.1764 307 Y 4.1148 8.0451 115.0131 59.7316 39.0856 176.1406 308 F 4.9038 8.1327 116.7673 58.0946 39.2471 178.4622 309 A 3.9433 7.7443 124.3270 55.2592 18.6487 179.7585 310 Q 3.9673 7.9365 113.4735 59.0378 28.8934 177.5172 311 Y 4.1924 7.7523 114.5804 60.0050 38.3933 176.0818 312 H 4.4226 7.2303 117.0433 56.6654 30.3897 174.3959 313 D 4.4649 9.2036 125.8823 51.9470 42.0933 173.6558 314 P 4.4319 0.0000 0.0000 65.1791 31.4555 177.2859 315 D 4.6957 8.0006 116.6134 54.9108 41.2585 175.6665 316 D 5.0226 7.9770 119.1715 54.1810 42.0380 175.8430 317 E 4.7253 8.0722 114.4659 53.5008 29.9368 173.8516 318 P 4.5312 0.0000 0.0000 62.4811 32.7366 177.3218 319 V 4.1347 8.1015 112.7133 60.2305 33.2635 175.1947 320 A 4.3336 7.9199 124.0990 50.1717 20.2584 176.9883 321 D 4.3917 8.7665 121.1308 54.5281 41.0981 174.5756 322 P 3.8976 0.0000 0.0000 61.9783 31.1765 174.8187 323 Y 4.1867 8.4671 125.5460 55.7969 38.5875 174.6733 324 D 4.4220 8.2951 128.5005 54.0218 40.5721 176.2001 325 Q 4.7240 8.0025 129.0794 55.4408 29.2874 177.8893 326 S 4.1829 8.1384 114.8717 61.9928 63.5140 176.1654 327 F 4.5022 8.5400 115.9776 59.5839 37.6666 177.1799 328 E 3.6722 6.9515 120.0379 59.0971 29.1560 178.1202 329 S 4.3413 7.8682 110.9456 59.2713 63.5205 173.9913 330 R 4.6075 7.5845 120.6558 55.0368 31.1887 176.3506 331 D 5.0399 8.3570 122.2952 52.4861 41.1443 175.6523 332 L 4.1371 7.4738 122.9409 53.4091 44.1249 176.0849 333 L 4.5926 8.3259 119.1310 53.6186 43.4802 177.7343 334 I 3.8192 8.3168 120.4610 65.4655 36.9743 178.1285 335 D 4.3001 8.1167 118.6376 57.4606 40.6920 178.8391 336 E 3.8531 8.0028 119.0449 58.8790 29.3682 179.3100 337 W 4.4923 7.8249 118.4815 59.7226 29.2210 177.8740 338 K 3.1279 8.3210 119.9041 59.7363 31.4532 178.2458 339 S 4.0967 8.1026 112.9047 61.5948 62.3341 176.2648 340 L 4.3278 7.6702 122.2712 57.7315 40.8434 179.6379 341 T 4.2827 8.7424 116.1826 66.7473 68.2547 176.2091 342 Y 3.0439 8.5077 121.9298 60.3838 38.5363 177.4455 343 D 4.3802 8.2067 119.8284 57.7239 40.7833 178.9054 344 E 4.1228 7.9094 118.3174 58.6050 29.4701 179.2559 345 V 3.6937 7.1585 116.8510 65.9346 31.6394 177.7829 346 I 3.7262 7.3424 120.0648 64.0485 36.6792 178.2514 347 S 4.2483 8.1737 114.9092 59.6769 62.6175 174.1868 348 F 4.4342 7.5412 125.5870 58.3880 39.4318 174.2166 349 V 3.9015 7.6373 127.8122 59.7718 32.2382 173.2158 350 P 3.7324 0.0000 0.0000 61.6754 31.6513 174.4806 351 P 4.4003 0.0000 0.0000 61.8156 32.1592 174.5110 352 P 4.3881 0.0000 0.0000 63.1578 31.3138 176.0550 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 E 8.44 4.25 0.00 2.11 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 2.20 2.33 0.00 5 R 8.11 3.71 0.00 1.95 1.99 0.00 3.30 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 6 P 0.00 4.66 0.00 2.09 1.98 0.00 3.97 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 7 T 8.20 4.37 4.42 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 1.29 0.00 0.00 8 F 9.03 5.42 0.00 2.76 2.97 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 9 Y 9.31 5.13 0.00 2.93 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 10 R 8.79 5.46 0.00 1.79 1.94 0.00 3.63 0.00 0.00 4.01 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 11 Q 8.31 4.64 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 12 E 8.97 4.92 0.00 2.06 1.96 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 2.31 2.39 0.00 13 L 9.40 4.60 0.00 1.78 1.53 0.42 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 N 10.02 4.07 0.00 2.81 2.67 0.00 0.00 6.84 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.39 4.28 0.00 1.95 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 0.98 7.81 16 T 8.12 4.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 17 I 8.53 4.61 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 1.00 0.00 0.00 18 W 9.54 4.64 0.00 3.19 3.18 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 0.00 0.00 0.00 19 E 9.28 4.89 0.00 2.08 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 2.40 2.29 0.00 20 V 7.53 4.21 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 0.89 0.00 0.00 0.66 0.00 0.00 21 P 0.00 4.10 0.00 1.61 1.29 0.00 2.88 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.00 22 E 8.52 4.03 0.00 1.89 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 2.30 2.42 0.00 23 R 7.72 3.80 0.00 1.51 1.18 0.00 2.84 0.00 0.00 2.34 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.18 0.00 24 Y 7.37 5.20 0.00 3.02 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 25 Q 9.36 4.97 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.03 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 26 N 8.79 4.25 0.00 2.94 2.80 0.00 0.00 6.75 6.74 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 27 L 7.96 4.85 0.00 1.32 1.18 1.01 0.42 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 28 S 8.81 4.60 0.00 3.79 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 29 P 0.00 4.69 0.00 1.97 2.01 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 30 V 8.47 4.16 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 0.72 0.00 0.00 0.98 0.00 0.00 *37 S 7.71 4.33 0.00 4.10 4.11 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 38 V 8.36 4.99 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 1.02 0.00 0.00 0.94 0.00 0.00 39 C 9.50 5.20 0.00 2.12 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 40 A 9.18 4.93 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 41 A 9.06 5.63 1.22 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 42 F 9.35 4.88 0.00 3.14 2.97 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 43 D 8.46 4.96 0.00 2.75 2.37 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 44 T 9.11 3.86 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 1.32 0.00 0.00 45 K 7.56 3.75 0.00 1.56 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.32 7.81 46 T 7.86 4.00 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 1.17 0.00 0.00 47 G 7.98 3.53 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 0.00 0.00 0.00 48 L 7.12 4.67 0.00 1.53 1.57 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.33 4.78 0.00 1.84 1.92 0.00 3.14 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 50 V 9.29 4.64 2.21 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 0.71 0.00 0.00 1.07 0.00 0.00 51 A 8.97 5.15 1.23 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 0.00 0.00 0.00 52 V 8.97 4.68 2.26 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 1.19 0.00 0.00 0.75 0.00 0.00 53 K 9.18 4.77 0.00 1.81 1.57 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.27 7.81 54 K 8.21 3.71 0.00 0.79 0.74 0.00 0.86 0.00 0.00 0.69 0.00 0.00 2.53 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.59 0.21 7.81 55 L 7.37 3.75 0.00 1.13 1.22 0.68 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.48 3.83 0.00 3.68 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 57 R 8.32 3.50 0.00 1.90 1.86 0.00 3.25 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 58 P 0.00 3.93 0.00 0.49 1.62 0.00 3.44 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.00 59 F 7.20 4.97 0.00 3.01 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 60 Q 7.88 4.60 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 61 S 7.32 4.66 0.00 3.97 3.85 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 0.00 0.00 0.00 62 I 7.90 3.95 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.05 1.06 0.00 0.00 63 I 7.67 3.76 1.87 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 1.66 0.92 0.91 0.00 0.00 64 H 8.39 4.11 0.00 3.08 3.53 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.10 4.31 1.77 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 0.00 0.00 66 K 7.91 2.65 0.00 1.70 1.78 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.56 0.00 0.00 0.00 0.00 1.24 0.68 7.81 67 R 8.09 3.80 0.00 1.98 2.08 0.00 3.15 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 1.51 1.65 0.00 68 T 8.16 3.69 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 1.02 0.00 0.00 69 Y 8.06 4.12 0.00 3.01 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 70 R 7.84 3.71 0.00 2.16 2.08 0.00 3.30 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.24 0.00 71 E 8.30 3.77 0.00 2.00 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 2.16 2.16 0.00 72 L 7.57 3.84 0.00 1.66 1.64 0.75 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.41 3.75 0.00 1.69 1.88 0.00 2.95 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 74 L 8.41 4.09 0.00 1.84 1.98 0.99 0.52 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 75 L 8.11 4.14 0.00 1.61 1.67 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.00 4.41 0.00 1.84 1.95 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.52 1.47 7.81 77 H 7.79 4.66 0.00 3.34 3.44 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.07 4.56 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.94 0.00 79 K 9.17 4.55 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 80 H 7.28 4.53 0.00 1.40 2.48 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.35 4.03 0.00 1.86 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 2.23 2.17 0.00 82 N 8.01 5.63 0.00 2.71 2.65 0.00 0.00 7.00 7.68 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 83 V 7.29 4.58 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 0.57 0.00 0.00 0.73 0.00 0.00 84 I 7.98 3.61 1.92 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 1.18 0.84 0.99 0.00 0.00 85 G 8.70 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 0.00 0.00 0.00 86 L 8.45 4.42 0.00 1.62 1.70 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.68 4.60 0.00 1.75 1.79 0.78 0.77 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 88 D 7.88 5.30 0.00 3.01 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 89 V 8.39 4.88 1.73 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 0.21 0.00 0.00 0.84 0.00 0.00 90 F 8.74 5.33 0.00 3.25 3.22 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 91 T 8.83 5.39 4.66 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 0.00 0.00 0.00 1.34 0.00 0.00 92 P 0.00 3.03 0.00 2.05 1.92 0.00 4.03 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.57 0.00 93 A 7.24 4.00 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 94 R 8.75 4.42 0.00 1.93 2.01 0.00 3.23 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 95 S 7.54 4.66 0.00 4.08 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 96 L 8.04 2.80 0.00 0.61 1.27 0.56 0.72 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 97 E 7.95 3.99 0.00 1.93 1.96 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 2.26 2.28 0.00 98 E 7.71 4.38 0.00 1.94 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 2.26 2.23 0.00 99 F 7.81 4.77 0.00 3.21 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 0.00 100 N 8.51 5.03 0.00 2.69 2.76 0.00 0.00 6.94 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 0.00 101 D 7.92 4.68 0.00 2.71 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 0.00 0.00 0.00 0.00 102 V 7.75 4.65 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 1.04 0.00 0.00 1.01 0.00 0.00 103 Y 8.77 4.85 0.00 1.43 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 0.00 104 L 8.27 5.01 0.00 1.45 1.38 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.06 4.98 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 0.93 0.00 0.00 0.97 0.00 0.00 106 T 8.80 5.00 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 0.00 107 H 8.73 4.62 0.00 3.08 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.12 4.38 0.00 1.59 1.67 0.93 0.92 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 0.00 109 M 8.52 4.63 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 110 G 8.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.34 4.98 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 0.00 112 D 8.52 5.16 0.00 3.09 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 0.00 113 L 8.75 4.14 0.00 1.68 1.72 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.74 4.35 0.00 3.07 2.83 0.00 0.00 6.91 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.27 4.43 0.00 2.69 2.91 0.00 0.00 7.20 7.34 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 0.00 116 I 7.96 3.85 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.91 0.00 0.00 117 V 7.18 4.27 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 1.10 0.00 0.00 0.93 0.00 0.00 118 K 7.85 4.15 0.00 1.84 1.63 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *120 Q 7.76 4.12 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.04 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 121 K 8.44 4.48 0.00 1.53 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.05 7.81 122 L 8.11 4.77 0.00 1.77 1.59 0.90 0.50 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 0.00 123 T 8.42 4.28 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 1.26 0.00 0.00 124 D 8.88 4.38 0.00 2.88 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 0.00 125 D 8.13 4.65 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.26 0.00 3.30 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.09 3.65 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 1.21 0.00 0.00 1.01 0.00 0.00 128 Q 8.67 4.17 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 1.16 2.30 0.00 129 F 8.33 3.95 0.00 2.40 2.90 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 0.00 130 L 7.83 3.87 0.00 1.91 1.63 0.85 0.52 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 0.00 131 I 8.13 3.73 2.30 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 1.70 0.97 1.12 0.00 0.00 132 Y 7.92 3.14 0.00 2.86 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 0.00 133 Q 7.15 3.53 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 134 I 7.31 3.55 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 0.82 0.00 0.00 135 L 7.66 3.92 0.00 1.55 1.51 0.86 0.83 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 0.00 136 R 7.68 3.70 0.00 1.27 1.83 0.00 2.84 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.31 0.00 137 G 8.15 3.53 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 0.00 0.00 0.00 138 L 7.49 3.75 0.00 1.68 1.36 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.63 4.43 0.00 1.95 1.89 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 140 Y 7.31 3.98 0.00 2.92 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 0.00 141 I 7.54 3.47 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.52 0.89 0.00 0.00 142 H 9.77 4.43 0.00 3.27 3.42 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 7.75 4.23 0.00 3.95 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 0.00 144 A 7.19 4.46 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 0.00 145 D 7.98 4.36 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 4.63 1.86 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 1.12 1.06 0.91 0.00 0.00 147 I 8.02 4.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.91 0.00 0.00 148 H 9.70 4.25 0.00 3.22 3.68 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.33 4.13 0.00 1.99 1.91 0.00 3.26 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 150 D 8.30 5.04 0.00 2.60 2.66 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 0.00 0.00 0.00 0.00 151 L 8.04 4.02 0.00 1.47 1.53 0.72 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.39 3.77 0.00 1.54 1.50 0.00 1.41 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.30 7.81 153 P 0.00 4.07 0.00 2.33 2.21 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 154 S 8.17 4.61 0.00 3.95 4.13 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 0.00 155 N 8.57 5.02 0.00 2.96 2.98 0.00 0.00 6.72 6.37 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 0.00 156 L 7.92 5.07 0.00 1.53 1.55 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.73 5.21 1.20 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 0.00 158 V 9.14 5.46 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 0.58 0.00 0.00 0.98 0.00 0.00 159 N 8.26 5.27 0.00 2.87 2.99 0.00 0.00 5.76 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 0.00 160 E 8.96 4.03 0.00 2.11 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 0.00 2.29 2.26 0.00 161 D 8.11 4.51 0.00 2.72 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 0.00 162 C 7.89 3.91 0.00 3.48 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 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3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 190 A 8.62 3.00 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 0.00 191 P 0.00 4.07 0.00 1.88 1.88 0.00 2.59 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 192 E 7.84 4.22 0.00 2.03 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 2.22 2.24 0.00 193 I 7.59 4.66 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.97 0.00 0.00 194 M 8.00 4.53 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 *201 N 7.75 4.61 0.00 2.72 2.73 0.00 0.00 6.82 7.51 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 0.00 202 Q 8.55 3.91 0.00 1.95 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 203 T 7.46 4.21 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 1.26 0.00 0.00 204 V 8.12 3.74 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 1.13 0.00 0.00 1.05 0.00 0.00 205 D 8.17 4.74 0.00 2.77 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 0.00 206 I 7.82 3.77 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 1.04 0.00 0.00 207 W 7.92 4.08 0.00 3.73 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.04 4.50 0.00 4.21 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 0.00 209 V 8.37 3.61 2.23 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 1.02 0.00 0.00 0.95 0.00 0.00 210 G 8.35 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 0.00 0.00 0.00 0.00 211 C 7.87 4.04 0.00 3.49 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 0.00 212 I 7.90 3.95 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.87 0.00 0.00 213 M 8.45 3.96 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 214 A 7.86 3.67 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 0.00 215 E 7.63 4.49 0.00 2.23 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 0.00 2.36 2.38 0.00 216 L 7.97 4.06 0.00 1.90 1.69 0.91 0.61 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 0.00 217 L 7.57 4.08 0.00 1.74 1.73 0.73 0.69 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 0.00 218 T 8.47 4.31 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 219 G 7.48 4.11 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 0.00 0.00 0.00 220 R 7.85 4.67 0.00 1.78 1.68 0.00 3.07 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 221 T 8.04 4.64 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 0.51 0.00 0.00 222 L 8.43 3.81 0.00 1.27 0.99 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 223 F 7.21 5.07 0.00 3.12 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 P 0.00 2.97 0.00 1.72 0.98 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 225 G 8.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.30 4.27 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 1.29 0.00 0.00 227 D 7.66 4.82 0.00 2.93 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 0.00 228 H 8.83 4.04 0.00 3.18 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 I 7.61 3.64 2.05 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 1.29 1.10 1.01 0.00 0.00 230 D 8.28 4.33 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 Q 8.25 3.93 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 232 L 7.38 3.87 0.00 1.97 1.84 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 233 K 7.94 3.91 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 234 L 7.80 3.92 0.00 1.77 1.74 0.92 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 0.00 235 I 6.95 2.95 1.76 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 0.00 0.64 -0.20 0.96 0.00 0.00 236 L 8.37 4.03 0.00 1.58 1.68 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 237 R 8.07 3.84 0.00 2.07 2.12 0.00 3.21 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 238 L 7.40 4.37 0.00 1.78 1.87 0.51 0.86 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 0.00 239 V 8.32 3.73 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 1.16 0.00 0.00 1.05 0.00 0.00 240 G 8.36 4.11 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 0.00 0.00 0.00 241 T 7.84 4.00 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 1.21 0.00 0.00 242 P 0.00 4.42 0.00 2.02 2.03 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 243 G 8.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 A 8.50 3.62 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 0.00 245 E 8.03 3.87 0.00 2.06 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 2.38 2.37 0.00 246 L 7.85 4.01 0.00 1.81 1.90 0.93 0.65 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 0.00 247 L 8.55 4.05 0.00 1.69 1.71 0.97 -0.08 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 0.00 248 K 7.61 4.16 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.64 7.81 249 K 7.67 4.09 0.00 1.87 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.67 7.81 250 I 6.97 3.63 1.87 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 1.58 0.72 0.94 0.00 0.00 251 S 8.62 4.36 0.00 3.97 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 0.00 252 S 7.72 4.62 0.00 3.90 3.76 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 0.00 253 E 8.65 3.92 0.00 2.04 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 0.00 2.38 2.31 0.00 254 S 8.06 4.13 0.00 4.09 4.11 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 0.00 255 A 7.98 4.07 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 0.00 256 R 8.19 3.84 0.00 2.11 2.00 0.00 3.13 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 257 N 8.56 4.43 0.00 2.90 2.90 0.00 0.00 6.71 7.40 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 0.00 258 Y 7.34 4.38 0.00 2.92 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 0.00 259 I 7.75 3.64 1.92 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 1.29 1.15 0.84 0.00 0.00 260 Q 7.90 3.95 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 261 S 7.59 4.32 0.00 4.04 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 0.00 262 L 6.61 4.57 0.00 1.56 1.45 0.24 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 263 T 8.17 3.82 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 1.18 0.00 0.00 264 Q 8.30 4.19 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 265 M 8.20 4.56 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 266 P 0.00 4.80 0.00 2.12 2.19 0.00 3.67 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 2.05 1.95 0.00 267 K 8.39 4.42 0.00 1.92 1.82 0.00 1.92 0.00 0.00 1.82 0.00 0.00 3.43 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.56 1.82 7.81 268 M 8.59 4.23 0.00 1.78 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 269 N 8.79 4.52 0.00 2.79 2.75 0.00 0.00 7.21 7.71 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 0.00 270 F 9.40 4.17 0.00 3.13 3.33 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 0.00 271 A 8.34 4.14 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 0.00 272 N 8.05 4.49 0.00 2.77 2.85 0.00 0.00 6.98 6.96 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 0.00 273 V 7.47 3.60 1.53 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 -0.07 0.00 0.00 0.64 0.00 0.00 274 F 8.31 4.69 0.00 3.08 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 0.00 275 I 7.44 3.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.92 0.00 0.00 276 G 8.94 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 0.00 277 A 7.50 4.15 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 0.00 278 N 8.88 4.28 0.00 2.95 2.90 0.00 0.00 6.63 7.71 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 0.00 279 P 0.00 4.26 0.00 2.29 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 280 L 8.52 4.03 0.00 2.01 1.83 0.94 0.55 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 0.00 281 A 8.14 2.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 V 7.39 3.37 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 0.96 0.00 0.00 1.09 0.00 0.00 283 D 8.00 4.29 0.00 2.87 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 0.00 284 L 7.52 3.59 0.00 1.42 1.35 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 285 L 7.58 3.84 0.00 1.61 1.56 0.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 286 E 7.23 3.06 0.00 1.92 1.72 0.00 0.00 0.00 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 2.13 0.00 287 K 7.75 4.15 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.47 7.81 288 M 7.27 4.28 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 289 L 7.71 4.18 0.00 1.81 1.61 0.99 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 290 V 7.79 4.69 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 0.83 0.00 0.00 1.06 0.00 0.00 291 L 8.84 4.01 0.00 1.67 1.71 0.95 1.01 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 0.00 292 D 8.08 4.45 0.00 2.71 2.64 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 0.00 293 S 8.56 4.44 0.00 4.04 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 0.00 294 D 8.20 4.61 0.00 2.78 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 0.00 295 K 8.08 4.45 0.00 1.85 1.85 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 296 R 7.43 4.18 0.00 2.14 1.92 0.00 3.57 0.00 0.00 3.61 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 297 I 8.11 4.08 1.95 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 1.32 0.97 0.97 0.00 0.00 298 T 9.09 4.43 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 1.29 0.00 0.00 299 A 8.77 3.90 1.33 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 0.00 0.00 0.00 300 A 7.93 3.96 1.33 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 0.00 0.00 0.00 301 Q 7.91 4.11 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 302 A 8.01 4.20 1.50 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 0.00 303 L 7.67 4.02 0.00 1.79 1.91 0.85 0.35 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 0.00 304 A 7.77 4.19 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 0.00 305 H 7.97 4.34 0.00 3.30 3.51 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 306 A 8.57 3.98 1.23 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 0.00 0.00 0.00 307 Y 8.05 4.11 0.00 2.66 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 0.00 308 F 8.13 4.90 0.00 3.42 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 0.00 309 A 7.74 3.94 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 0.00 310 Q 7.94 3.97 0.00 1.48 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 311 Y 7.75 4.19 0.00 2.61 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 0.00 0.00 0.00 0.00 312 H 7.23 4.42 0.00 3.26 3.30 0.00 5.92 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 0.00 313 D 9.20 4.46 0.00 2.77 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 0.00 314 P 0.00 4.43 0.00 2.25 2.25 0.00 3.72 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 315 D 8.00 4.70 0.00 2.70 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 0.00 316 D 7.98 5.02 0.00 2.61 2.64 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 0.00 317 E 8.07 4.73 0.00 2.02 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 2.20 2.45 0.00 318 P 0.00 4.53 0.00 2.33 2.11 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 319 V 8.10 4.13 2.06 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 0.74 0.00 0.00 0.95 0.00 0.00 320 A 7.92 4.33 0.41 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 0.00 321 D 8.77 4.39 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 322 P 0.00 3.90 0.00 2.08 2.01 0.00 3.69 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 2.05 2.15 0.00 323 Y 8.47 4.19 0.00 2.68 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 0.00 324 D 8.30 4.42 0.00 2.59 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 0.00 0.00 0.00 0.00 325 Q 8.00 4.72 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 326 S 8.14 4.18 0.00 4.06 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 0.00 327 F 8.54 4.50 0.00 3.66 3.63 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 0.00 328 E 6.95 3.67 0.00 1.82 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 1.47 1.99 0.00 329 S 7.87 4.34 0.00 4.02 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 0.00 330 R 7.58 4.61 0.00 2.11 1.89 0.00 3.23 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 331 D 8.36 5.04 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 332 L 7.47 4.14 0.00 0.45 1.29 -0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 333 L 8.33 4.59 0.00 1.94 1.53 0.96 0.76 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 0.00 334 I 8.32 3.82 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.81 1.07 0.00 0.00 335 D 8.12 4.30 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 336 E 8.00 3.85 0.00 1.80 1.61 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 2.12 2.23 0.00 337 W 7.82 4.49 0.00 3.59 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 0.00 338 K 8.32 3.13 0.00 1.19 1.74 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 0.21 7.81 339 S 8.10 4.10 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 0.00 340 L 7.67 4.33 0.00 1.83 1.12 0.75 0.62 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 0.00 341 T 8.74 4.28 4.96 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 1.74 0.00 0.00 342 Y 8.51 3.04 0.00 2.70 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 0.00 343 D 8.21 4.38 0.00 3.01 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 0.00 344 E 7.91 4.12 0.00 2.00 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 2.67 2.32 0.00 345 V 7.16 3.69 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 0.81 0.00 0.00 1.00 0.00 0.00 346 I 7.34 3.73 1.91 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.08 0.88 0.00 0.00 347 S 8.17 4.25 0.00 4.13 4.18 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 0.00 0.00 0.00 348 F 7.54 4.43 0.00 2.85 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 0.00 349 V 7.64 3.90 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 0.79 0.00 0.00 0.91 0.00 0.00 350 P 0.00 3.73 0.00 2.15 2.12 0.00 3.54 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 351 P 0.00 4.40 0.00 2.24 2.14 0.00 4.04 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 352 P 0.00 4.39 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.