NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2010 8.1076 123.5814 52.2420 20.5221 178.3602 *2 S 4.4696 8.0503 114.8788 59.6083 64.5535 175.8760 3 K 4.2141 7.3816 116.8602 57.6456 32.4973 177.3386 4 I 3.9016 7.0914 120.5793 61.9354 37.4976 175.0763 5 T 4.6952 9.1685 113.8997 59.4594 72.1423 174.5317 6 F 3.9989 8.8403 118.8197 60.4302 38.9381 178.1972 7 K 4.1291 8.1749 119.4901 59.3140 31.8631 177.9018 8 D 4.5570 8.1636 117.5152 55.7773 41.0435 176.6459 9 I 4.2562 7.3608 121.0575 60.6216 37.8349 175.3399 10 Y 4.2091 9.1871 126.5514 57.4688 39.6487 174.9616 11 I 4.3163 6.9424 125.1421 59.5828 40.6640 175.7936 12 D 5.0353 8.6175 127.2781 53.9454 40.3898 174.2316 13 G 4.3723 7.5261 107.3941 43.4539 0.0000 171.2227 14 N 4.6600 8.5665 116.8081 52.3212 39.8445 175.0411 15 K 3.2949 8.4226 125.5314 56.3440 32.1728 176.4209 16 I 3.9470 8.4178 129.7176 64.0032 37.7006 176.7956 17 T 4.6050 7.2455 116.9744 61.7256 73.0402 172.7212 18 E 4.8175 8.5394 125.0258 54.5258 32.5943 174.0555 19 D 4.7902 8.4401 125.5801 52.1217 42.1471 175.7123 20 S 4.2563 8.7560 112.2751 60.9088 63.2383 175.0160 21 R 4.6125 8.7068 117.3584 56.7499 30.4856 175.9790 22 K 4.6589 7.6708 115.3634 55.8074 36.2626 174.2622 23 A 4.9732 8.8005 124.1443 50.2686 21.8716 175.3786 24 I 4.3240 8.1076 123.1520 59.5374 39.6137 174.4077 25 Y 5.4701 8.9834 124.4377 55.4217 41.3358 174.8153 26 L 5.1700 8.3195 121.0238 53.5158 47.0732 174.9043 27 L 4.9532 9.4873 123.4302 52.3752 42.3880 174.7763 28 P 4.7774 0.0000 0.0000 64.0095 31.6639 176.1761 29 P 4.3959 0.0000 0.0000 64.0829 32.3777 175.8799 30 Q 4.5274 8.3077 119.6252 54.0861 28.5937 173.9457 31 P 4.4329 0.0000 0.0000 64.4490 32.2685 177.8338 32 L 4.1964 7.5576 117.7961 55.5964 41.9280 176.7028 33 K 3.9336 7.7098 119.1265 55.9501 31.7653 177.3531 34 Y 4.1575 8.9815 123.9671 61.0406 37.9086 178.9057 35 A 4.1616 8.1715 120.7133 54.3397 18.6719 177.9175 36 S 4.5848 7.6832 109.7281 58.7996 63.4536 174.2024 37 N 5.2359 7.5026 117.8953 51.4980 39.6266 173.3274 38 T 4.4061 9.0880 116.6829 61.1135 72.1574 171.2671 39 W 5.0962 8.3343 124.8453 55.1597 31.5341 175.4353 40 I 4.6351 8.6889 126.2394 59.7282 38.1740 174.8283 41 Y 4.6997 8.8182 126.0648 58.2350 37.9275 176.1780 42 K 4.5476 10.0657 123.0195 57.4865 34.3826 177.6753 43 T 4.4127 8.0789 105.3075 61.0466 68.3000 174.6684 *45 P 4.4647 0.0000 0.0000 62.2716 33.7797 177.0749 46 T 4.3991 7.7129 113.9632 61.5983 68.3101 175.7215 *48 N 4.6837 9.0913 116.5613 53.3704 40.4844 175.8983 49 Q 4.0395 8.2820 117.0687 59.0492 28.7373 178.9614 50 W 4.1969 8.6537 129.4074 60.5397 30.2985 177.9426 51 L 3.5777 7.8550 118.3397 57.6247 41.0939 179.4400 52 K 3.9439 7.8179 117.9545 59.5731 31.9229 179.1794 53 D 4.3074 8.1004 119.2151 56.9581 40.5991 178.6654 54 I 3.4718 7.3059 120.7819 64.2629 36.9755 178.3187 55 E 3.8274 7.6030 118.9120 59.3743 29.1869 179.0226 56 V 3.5895 7.2024 116.4782 66.5372 31.5938 177.5531 57 Q 4.0688 7.8398 117.5874 58.9134 29.1854 177.4269 58 K 4.0022 8.2358 121.0976 59.5318 32.0300 179.0294 59 K 4.1961 7.8859 116.3128 57.2191 31.8447 178.7087 *61 H 4.7025 8.1182 118.0325 55.9961 30.7543 175.8667 62 L 3.9954 7.9256 119.0055 57.6671 41.6640 179.0298 63 N 4.2887 8.3367 116.9525 55.9696 39.0197 175.2507 64 Q 4.4353 7.9565 113.8235 55.3376 28.9087 175.5534 65 S 3.6360 7.5867 112.3174 59.9827 60.7247 171.8284 66 S 4.3516 7.7890 115.8451 58.0801 63.7139 173.9242 67 Y 5.0435 8.4268 119.5550 57.8495 40.0752 174.2395 68 H 5.1812 8.1160 115.0469 53.6935 31.9462 172.9065 69 L 5.0925 8.5620 116.9437 53.4058 46.1347 176.1865 70 S 5.3601 8.8782 115.4755 57.7791 66.7244 173.5331 71 F 5.2792 9.2094 119.2897 56.3507 43.6552 173.6003 72 S 5.3405 9.0257 117.7534 57.1569 65.8849 173.6092 73 F 5.3306 8.8211 121.6080 55.0286 41.9647 173.6470 74 P 4.5171 0.0000 0.0000 62.1354 32.4400 176.3683 75 A 3.7920 8.4923 124.7960 54.0488 18.3838 177.1040 76 N 3.1400 8.2188 119.7489 53.5837 36.7483 173.7318 77 E 4.7263 7.5051 117.0694 54.2015 31.5967 176.4547 78 K 4.2142 8.7210 123.5121 56.2794 32.9259 176.6412 79 I 3.8177 7.3530 123.4502 60.0575 38.2775 176.1114 80 D 4.3429 8.0255 122.9335 53.7272 43.1417 176.6073 81 E 3.7533 8.6451 125.3857 59.7717 29.5690 179.6084 82 V 3.5970 8.2224 118.1389 65.7980 31.4304 177.7074 83 L 3.8287 7.5644 119.5852 57.6152 41.9862 178.3924 84 L 3.6323 7.7724 119.2823 57.7900 41.5638 179.1244 85 E 3.8639 8.4194 119.3787 59.1134 29.5502 178.7590 86 K 3.9858 7.9120 119.5192 59.4926 32.1787 178.5885 87 I 3.6195 7.7572 120.4243 64.5891 37.0257 178.4625 88 R 3.9920 8.2642 118.9694 59.4732 29.7399 178.8668 89 E 4.0750 8.0777 117.4933 58.6195 29.6524 177.7525 90 L 4.6252 8.1490 116.9724 53.8631 42.2363 176.3320 91 G 3.8241 8.2928 106.7289 46.7089 0.0000 174.0472 92 F 4.6647 8.0708 116.7843 56.2831 40.9312 176.1523 93 Q 4.5473 9.3946 121.1343 55.3813 30.2359 174.8128 94 I 4.9832 8.5129 124.2710 59.9371 39.5300 175.0802 95 G 4.2656 9.2171 112.8714 45.1407 0.0000 170.8548 96 V 4.9658 8.2492 117.9562 61.0230 34.8508 174.5418 97 L 4.9322 9.5401 128.5127 53.8158 43.8567 175.3285 98 E 5.2545 9.3902 122.1440 54.5252 33.1342 174.6511 99 L 4.3491 8.5220 127.2439 54.2343 43.5396 174.7561 100 Y 5.2618 8.6688 124.4943 56.2391 40.8781 175.2535 101 V 5.0230 9.1295 121.9356 60.3577 35.3236 174.1526 102 I 4.7011 8.4936 121.1617 59.6529 42.1078 173.8161 103 E 4.3502 8.6557 126.3117 55.7031 30.5812 177.3906 104 A 3.9391 8.0337 124.7149 55.6370 18.3377 180.0759 105 K 3.7303 8.1877 116.9258 59.8947 31.8559 178.4975 106 A 3.9530 7.6501 119.5121 54.9005 18.5072 179.1525 107 L 4.1509 7.9893 117.5506 57.1971 41.9355 179.5356 108 K 3.8861 7.8848 118.1981 59.6320 31.9001 178.4844 109 E 3.9527 8.1142 118.0086 59.5255 29.4142 178.6583 110 L 4.1321 7.7187 117.0063 55.9209 42.1711 177.3405 111 S 4.4261 7.3970 113.7157 58.5792 61.7797 173.7311 112 R 4.5858 9.3514 123.6055 54.9428 31.5947 175.8091 113 K 3.8184 8.4060 115.3889 57.1270 29.5504 175.9973 114 R 4.0409 7.3629 113.7212 56.4804 30.4740 177.2647 115 D 4.5769 8.3315 120.0811 53.4162 39.7424 174.3876 116 V 4.5299 7.8335 122.8728 60.8513 34.7057 173.2121 117 D 4.9039 9.2814 128.6397 52.8743 42.9612 174.8483 118 I 4.9576 8.4410 126.2205 59.6419 39.7595 174.8719 119 Q 4.7583 8.7704 125.4921 53.5559 32.5205 175.1449 120 L 4.5384 8.5758 122.5990 55.1025 42.4087 177.2429 121 V 4.4034 8.3439 117.1670 61.3757 32.6995 175.7834 122 S 4.7959 9.7173 118.2611 56.7042 66.1086 174.4802 123 S 4.8383 8.8879 113.3852 60.8169 62.4319 175.4420 124 N 4.5760 7.9765 117.8270 55.0635 38.6796 175.4037 125 N 5.0339 7.8387 112.0310 51.5938 38.7348 175.4166 126 I 3.4411 8.0539 120.7821 64.8891 37.6446 177.3411 127 N 4.4224 8.1165 116.5285 56.1616 38.2921 176.9862 128 D 4.3199 8.3699 120.6743 57.1691 40.8511 178.1044 129 Y 3.9247 7.8149 119.6427 60.8257 38.8893 178.0530 130 L 4.0041 8.0843 119.8547 57.7705 41.4057 178.8562 131 H 4.0198 8.1804 117.9642 59.3030 30.0535 177.2045 132 V 3.5588 7.4047 120.0121 65.9756 31.3569 177.0108 133 Y 2.7624 7.4763 119.2734 60.7954 38.2083 178.0928 134 D 4.2712 8.0261 118.1559 57.2478 40.9354 178.3493 135 A 4.1446 7.6981 119.8518 53.2449 18.8290 177.9881 136 F 4.1309 7.4715 115.7853 56.7779 39.5894 175.0280 137 A 3.9898 8.2511 125.5640 53.1628 18.7312 178.3087 138 R 4.5235 8.0536 119.6795 53.3031 30.3651 174.5836 139 P 4.1482 0.0000 0.0000 64.3097 31.7732 178.1095 140 F 4.7444 7.7006 116.3509 56.8894 39.6000 175.9909 141 G 4.0835 7.9908 107.9998 45.5719 0.0000 175.2170 142 D 4.3177 8.6002 117.5505 57.5944 40.5991 179.1104 143 S 4.2394 8.0907 111.6270 61.3566 62.4409 175.1550 144 Y 3.9957 8.0943 120.8405 60.6340 38.9394 177.0168 145 A 4.5002 8.2307 121.6869 55.5556 18.4080 180.5747 146 N 4.6314 8.6745 113.1641 53.7959 38.5388 177.4093 *148 V 3.9726 7.8127 122.3567 62.9521 33.6765 177.4087 149 K 3.7883 8.4494 119.3953 59.7533 31.6702 179.0664 150 Q 4.0763 7.9465 116.5955 59.2840 29.0334 178.4467 151 H 4.3582 8.1466 118.5010 59.4141 29.9283 177.0955 152 I 3.6173 7.6801 121.5789 64.6266 36.7853 177.6401 153 Y 4.3231 8.2415 118.5608 59.2240 38.6902 176.1263 154 S 4.5455 7.8053 111.5247 58.1782 64.2242 174.3389 155 S 4.6081 7.8462 114.9315 58.0818 63.8142 175.4616 156 Y 4.0817 7.9133 121.3624 60.0869 38.5877 177.0368 157 N 4.0119 7.0199 117.0604 53.3440 37.9034 179.1497 158 L 3.2321 7.2473 121.2126 57.3945 43.8318 176.6827 159 D 4.6530 7.7454 116.8929 53.0377 40.4014 175.9308 160 D 4.5114 8.4563 118.7534 55.9982 41.6046 177.5696 161 I 3.5398 7.2226 117.9682 60.9124 37.6120 174.5034 162 E 4.7730 8.9920 124.7193 54.9482 32.2896 175.2628 163 R 5.1568 8.3011 119.5274 54.5101 34.7971 174.1187 164 L 5.3256 9.1560 121.9502 52.9613 45.4279 175.5895 165 V 4.8538 8.4546 121.4966 61.0907 34.5456 174.0657 166 A 5.2004 8.8159 129.8279 50.8204 21.2705 175.2694 167 Y 5.3433 9.3107 118.3430 55.1150 41.8729 174.8594 168 V 4.4245 8.0082 122.3486 61.6269 34.4654 175.1597 169 N 4.2699 9.5203 125.2943 55.2680 35.9314 173.7913 170 H 4.0862 7.8718 108.3393 56.4086 27.5180 174.5986 171 Q 4.6673 7.9076 121.3781 53.2338 30.5068 173.2654 172 P 4.0039 0.0000 0.0000 62.7833 32.1762 176.0267 173 V 4.2436 8.4328 117.6214 62.7829 35.6438 174.6355 174 G 4.4137 7.6713 106.5035 44.4487 0.0000 171.6595 175 I 5.8249 8.7763 115.9322 58.3219 41.7751 174.2179 176 V 4.8441 8.1671 119.6155 61.1743 34.4633 171.6649 177 D 5.5696 9.2201 122.9908 52.9530 43.3048 175.5234 178 I 5.1597 9.0507 115.4237 59.3304 40.9880 174.4008 179 I 4.7585 8.7478 125.6897 59.6009 41.2896 174.5922 *181 T 4.2719 8.1195 112.7494 61.6208 69.7606 173.6725 182 D 4.4584 8.6549 120.1073 57.5258 41.0346 178.1581 183 K 4.1024 8.1086 118.7869 58.7676 32.4378 175.8438 184 T 4.9612 7.7574 106.0737 59.9017 72.6652 172.8833 185 I 4.7863 8.8124 121.2204 59.1411 41.2719 173.3140 186 E 5.8798 9.5799 130.3429 53.8302 31.9271 174.7819 187 I 5.0273 8.2032 119.7383 60.1120 40.1962 174.1528 188 D 4.4938 9.1539 120.6793 54.2388 45.0826 175.7096 189 G 4.3047 9.1888 111.7365 46.3880 0.0000 173.1980 190 F 4.5752 8.6125 122.0660 58.1396 40.0143 174.5324 191 G 3.8742 8.1762 110.8938 45.2055 0.0000 172.0502 192 V 4.8402 7.8528 121.0579 60.2308 34.4973 175.4877 193 L 4.1061 8.6646 127.2704 54.7233 42.3753 177.5401 194 E 3.8308 8.9471 123.6688 59.4530 29.5885 178.9236 195 E 3.8525 8.1549 115.1142 58.6541 29.3308 177.5845 196 F 4.8545 8.2839 117.0552 57.2540 39.1892 175.5727 197 Q 4.2105 8.2189 121.3685 56.2392 29.3008 175.5241 198 H 4.6130 8.6626 113.4192 57.1036 26.1479 175.3562 199 Q 4.5432 7.9759 114.0560 55.9481 29.1566 176.2408 200 G 4.0842 8.4985 107.2923 46.0483 0.0000 176.2487 201 I 3.8340 8.0183 120.9049 64.4561 37.1908 178.2392 202 G 3.9993 8.2211 106.3178 48.0114 0.0000 175.6810 203 S 4.4230 8.1728 116.0085 60.8380 63.1859 176.2694 204 E 4.0405 8.4035 122.6345 59.6065 29.3106 179.2814 205 I 3.8532 7.8710 119.5738 64.2847 37.0340 178.4344 206 Q 4.0625 8.4263 120.3061 59.2861 28.9332 177.9642 207 A 4.6155 8.2425 123.1980 54.7378 18.0983 178.8223 208 Y 3.8642 8.0086 117.3724 61.0338 39.0302 177.9771 209 V 4.0088 7.9598 117.8925 66.3676 31.6076 177.8869 210 G 3.8356 8.1325 104.3280 47.6482 0.0000 176.4682 211 R 4.0764 8.0996 120.1715 56.0615 30.2521 178.5367 *213 A 4.3544 8.0859 123.5237 50.5620 21.8526 179.2618 214 N 4.1800 7.3713 110.5700 55.0775 37.3223 175.0192 215 E 4.5270 8.9409 125.7172 56.8327 30.3508 175.5953 216 R 4.0834 7.8314 120.2802 55.6118 31.0434 174.7766 217 P 4.7238 0.0000 0.0000 62.9385 32.9865 175.3077 218 V 5.1224 8.7695 122.3465 60.0421 34.0493 174.6514 219 I 5.3943 9.0474 116.8588 59.7235 41.5339 173.6399 220 L 4.7387 8.3306 121.2672 55.0043 44.0254 173.7827 221 V 4.9394 8.3758 119.0543 61.1307 34.1770 174.4350 222 A 5.0272 9.3247 128.5963 50.5092 22.6584 175.5919 223 D 5.2624 8.0164 119.8009 51.0920 42.2416 176.0976 224 G 3.7052 8.8151 106.6959 48.7359 0.0000 174.7002 225 K 4.3029 7.7479 120.3975 55.5212 31.6040 177.2546 226 D 4.6927 7.5568 118.3931 52.7507 43.5224 175.4717 227 T 4.1733 8.3921 116.4195 62.6533 69.5584 175.7204 228 A 3.8144 7.7380 124.6531 53.9137 18.8576 178.6157 229 K 3.6836 7.2946 114.9477 59.7167 32.4280 179.2938 230 D 4.4159 7.7642 113.9604 55.6916 40.6183 177.5093 *232 Y 4.8417 7.9937 118.7227 58.3330 39.9469 177.5220 233 L 3.9865 8.0253 119.3605 57.9413 41.8687 179.4908 234 R 4.0766 7.7220 117.2412 59.5399 29.9611 177.6090 235 Q 4.0994 7.9433 114.9093 56.9219 28.9378 176.6747 236 G 4.1044 8.4672 105.5391 44.8724 0.0000 173.6574 237 Y 4.1499 7.9208 117.8783 58.2334 38.7420 175.9605 238 V 4.5171 9.1093 117.2491 59.6998 33.8029 174.9120 239 Y 4.0898 9.0023 127.2985 57.4881 39.3614 175.4770 240 Q 4.2704 8.6494 129.3499 55.5148 29.8151 173.7141 241 G 4.0514 6.1657 102.0975 42.8382 0.0000 172.8832 242 F 5.7884 8.6540 114.1857 55.0113 42.0576 173.8739 243 K 4.7978 9.2309 118.0401 54.6417 36.0165 175.9705 244 Y 4.6994 8.9360 121.9120 58.6351 39.5545 174.3377 245 H 5.6871 9.2509 116.8990 54.6463 32.5891 172.4407 246 I 5.8738 9.3843 114.2707 58.4233 41.5916 173.9482 247 L 5.2768 8.7419 124.2418 53.7283 45.8987 174.1511 248 K 4.5680 8.7864 127.3697 54.5108 33.8520 176.6769 249 E 3.6847 8.9304 127.5951 58.3745 29.8354 176.9111 250 N 5.1010 7.6919 115.1771 51.1729 41.8081 174.2657 251 I 3.8412 9.0917 124.4127 61.7923 37.1329 175.9586 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 A 8.11 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 S 8.05 4.47 0.00 4.04 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 3 K 7.38 4.21 0.00 1.94 1.98 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.41 7.81 4 I 7.09 3.90 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.89 0.00 0.00 5 T 9.17 4.70 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 1.26 0.00 0.00 6 F 8.84 4.00 0.00 3.16 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 7 K 8.17 4.13 0.00 1.79 1.91 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.47 7.81 8 D 8.16 4.56 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.36 4.26 2.12 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.62 1.01 0.00 0.00 10 Y 9.19 4.21 0.00 2.96 2.99 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 11 I 6.94 4.32 1.20 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.55 0.26 0.00 0.00 12 D 8.62 5.04 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 13 G 7.53 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 0.00 0.00 0.00 0.00 14 N 8.57 4.66 0.00 2.81 2.71 0.00 0.00 7.10 7.04 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 15 K 8.42 3.29 0.00 1.47 1.46 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.00 0.32 7.81 16 I 8.42 3.95 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.81 0.00 0.00 17 T 7.25 4.61 4.01 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 0.96 0.00 0.00 18 E 8.54 4.82 0.00 1.71 1.67 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 2.13 2.21 0.00 19 D 8.44 4.79 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.76 4.26 0.00 4.02 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 21 R 8.71 4.61 0.00 2.20 2.32 0.00 3.23 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 22 K 7.67 4.66 0.00 1.54 1.94 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.30 1.37 7.81 23 A 8.80 4.97 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 24 I 8.11 4.32 1.46 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 0.73 0.00 0.00 25 Y 8.98 5.47 0.00 2.93 2.80 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 26 L 8.32 5.17 0.00 1.58 1.50 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 L 9.49 4.95 0.00 1.69 1.48 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.78 0.00 2.06 2.09 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 29 P 0.00 4.40 0.00 2.03 2.09 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 30 Q 8.31 4.53 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 31 P 0.00 4.43 0.00 2.28 2.13 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 32 L 7.56 4.20 0.00 1.49 1.56 1.03 0.89 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 33 K 7.71 3.93 0.00 1.79 1.75 0.00 1.43 0.00 0.00 1.45 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.20 7.81 34 Y 8.98 4.16 0.00 2.85 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 35 A 8.17 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.68 4.58 0.00 3.91 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.50 5.24 0.00 2.63 2.68 0.00 0.00 6.70 7.42 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 38 T 9.09 4.41 4.31 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 1.23 0.00 0.00 39 W 8.33 5.10 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.69 4.64 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.93 0.00 0.00 41 Y 8.82 4.70 0.00 2.99 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 42 K 10.07 4.55 0.00 1.62 1.90 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.42 7.81 43 T 8.08 4.41 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 1.25 0.00 0.00 *45 P 0.00 4.46 0.00 2.24 2.05 0.00 3.48 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.92 0.00 46 T 7.71 4.40 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 1.21 0.00 0.00 *48 N 9.09 4.68 0.00 2.82 2.96 0.00 0.00 6.82 7.30 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 49 Q 8.28 4.04 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 50 W 8.65 4.20 0.00 3.21 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 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0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *61 H 8.12 4.70 0.00 3.24 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.93 4.00 0.00 1.81 1.77 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.34 4.29 0.00 2.74 2.86 0.00 0.00 7.12 6.99 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 64 Q 7.96 4.44 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.11 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 65 S 7.59 3.64 0.00 3.96 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 66 S 7.79 4.35 0.00 3.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.43 5.04 0.00 2.97 2.89 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 68 H 8.12 5.18 0.00 2.84 3.17 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 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0.00 0.00 77 E 7.51 4.73 0.00 2.12 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 2.23 2.36 0.00 78 K 8.72 4.21 0.00 1.75 1.66 0.00 2.02 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.45 7.81 79 I 7.35 3.82 1.29 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.25 0.20 0.00 0.00 80 D 8.03 4.34 0.00 2.58 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 81 E 8.65 3.75 0.00 1.98 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 2.32 0.00 82 V 8.22 3.60 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 0.90 0.00 0.00 0.88 0.00 0.00 83 L 7.56 3.83 0.00 1.58 1.47 0.30 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.77 3.63 0.00 1.72 1.54 0.74 0.74 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 85 E 8.42 3.86 0.00 2.06 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 2.29 2.29 0.00 86 K 7.91 3.99 0.00 1.99 1.96 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.89 1.83 7.81 87 I 7.76 3.62 1.73 0.00 0.00 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 0.29 0.04 0.81 0.00 0.00 88 R 8.26 3.99 0.00 1.82 2.01 0.00 3.12 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 89 E 8.08 4.08 0.00 2.02 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 0.00 2.39 2.39 0.00 90 L 8.15 4.63 0.00 2.18 2.02 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.29 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.07 4.66 0.00 3.20 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 93 Q 9.39 4.55 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 94 I 8.51 4.98 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 1.07 0.00 0.00 95 G 9.22 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 96 V 8.25 4.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.28 0.00 0.00 97 L 9.54 4.93 0.00 1.88 1.86 0.95 -0.23 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 98 E 9.39 5.25 0.00 2.28 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 0.00 2.66 2.44 0.00 99 L 8.52 4.35 0.00 0.27 0.86 0.53 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.67 5.26 0.00 2.72 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 0.00 101 V 9.13 5.02 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 0.83 0.00 0.00 0.92 0.00 0.00 102 I 8.49 4.70 1.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.28 0.32 0.00 0.00 103 E 8.66 4.35 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 104 A 8.03 3.94 1.45 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 0.00 0.00 105 K 8.19 3.73 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 106 A 7.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.99 4.15 0.00 1.94 1.72 0.76 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.88 3.89 0.00 1.97 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.68 7.81 109 E 8.11 3.95 0.00 2.07 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 2.33 2.52 0.00 110 L 7.72 4.13 0.00 1.90 1.76 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.40 4.43 0.00 4.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 9.35 4.59 0.00 1.88 1.88 0.00 3.40 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 113 K 8.41 3.82 0.00 1.92 1.91 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 114 R 7.36 4.04 0.00 1.82 1.91 0.00 3.34 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 115 D 8.33 4.58 0.00 2.65 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 0.00 116 V 7.83 4.53 2.12 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 0.89 0.00 0.00 0.96 0.00 0.00 117 D 9.28 4.90 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.44 4.96 1.62 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.24 0.00 0.00 119 Q 8.77 4.76 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 120 L 8.58 4.54 0.00 1.55 1.64 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.34 4.40 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 0.68 0.00 0.00 0.69 0.00 0.00 122 S 9.72 4.80 0.00 3.95 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 0.00 123 S 8.89 4.84 0.00 4.09 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 0.00 124 N 7.98 4.58 0.00 2.75 2.93 0.00 0.00 6.76 8.72 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 0.00 125 N 7.84 5.03 0.00 3.08 3.07 0.00 0.00 5.88 7.80 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 0.00 126 I 8.05 3.44 1.31 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 1.02 0.88 0.00 0.00 127 N 8.12 4.42 0.00 2.82 2.84 0.00 0.00 7.17 8.08 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 0.00 128 D 8.37 4.32 0.00 2.95 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 0.00 129 Y 7.81 3.92 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.08 4.00 0.00 1.75 1.70 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.18 4.02 0.00 3.22 3.50 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.40 3.56 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 0.91 0.00 0.00 0.80 0.00 0.00 133 Y 7.48 2.76 0.00 2.58 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 0.00 134 D 8.03 4.27 0.00 2.87 2.65 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 0.00 135 A 7.70 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.47 4.13 0.00 2.60 2.80 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 0.00 137 A 8.25 3.99 1.16 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 0.00 0.00 138 R 8.05 4.52 0.00 1.81 1.84 0.00 3.23 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 139 P 0.00 4.15 0.00 1.18 1.82 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.65 0.00 140 F 7.70 4.74 0.00 2.26 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 0.00 141 G 7.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.60 4.32 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.09 4.24 0.00 3.90 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 0.00 144 Y 8.09 4.00 0.00 3.13 3.26 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 0.00 145 A 8.23 4.50 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.67 4.63 0.00 2.86 2.86 0.00 0.00 6.67 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *148 V 7.81 3.97 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 1.06 0.00 0.00 0.90 0.00 0.00 149 K 8.45 3.79 0.00 2.06 1.85 0.00 2.11 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.69 7.81 150 Q 7.95 4.08 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 151 H 8.15 4.36 0.00 3.19 3.47 0.00 5.88 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 0.00 152 I 7.68 3.62 1.91 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.95 0.78 0.00 0.00 153 Y 8.24 4.32 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 0.00 154 S 7.81 4.55 0.00 3.97 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 0.00 155 S 7.85 4.61 0.00 3.83 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 0.00 156 Y 7.91 4.08 0.00 3.00 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 0.00 157 N 7.02 4.01 0.00 2.39 2.42 0.00 0.00 7.02 7.85 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 0.00 158 L 7.25 3.23 0.00 1.70 1.79 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.75 4.65 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.46 4.51 0.00 2.68 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 0.00 161 I 7.22 3.54 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.23 0.82 0.00 0.00 162 E 8.99 4.77 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 163 R 8.30 5.16 0.00 1.43 1.53 0.00 2.74 0.00 0.00 2.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 164 L 9.16 5.33 0.00 1.51 1.37 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.45 4.85 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 0.40 0.00 0.00 1.05 0.00 0.00 166 A 8.82 5.20 1.13 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 0.00 0.00 167 Y 9.31 5.34 0.00 2.69 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 0.00 168 V 8.01 4.42 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 1.08 0.00 0.00 0.81 0.00 0.00 169 N 9.52 4.27 0.00 2.88 2.84 0.00 0.00 7.12 8.16 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 0.00 170 H 7.87 4.09 0.00 3.30 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 7.91 4.67 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 172 P 0.00 4.00 0.00 1.90 1.37 0.00 3.70 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 1.87 2.02 0.00 173 V 8.43 4.24 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 0.63 0.00 0.00 -0.18 0.00 0.00 174 G 7.67 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.78 5.82 1.62 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.33 0.60 0.00 0.00 176 V 8.17 4.84 2.30 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 0.93 0.00 0.00 1.25 0.00 0.00 177 D 9.22 5.57 0.00 2.94 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 0.00 178 I 9.05 5.16 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.34 1.01 0.00 0.00 179 I 8.75 4.76 1.83 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 0.64 0.43 0.81 0.00 0.00 *181 T 8.12 4.27 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 1.27 0.00 0.00 182 D 8.65 4.46 0.00 2.68 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 0.00 183 K 8.11 4.10 0.00 1.73 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 184 T 7.76 4.96 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 1.21 0.00 0.00 185 I 8.81 4.79 1.89 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 1.16 1.31 0.99 0.00 0.00 186 E 9.58 5.88 0.00 2.07 1.79 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 2.25 2.14 0.00 187 I 8.20 5.03 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 1.02 0.00 0.00 188 D 9.15 4.49 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 9.19 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.61 4.58 0.00 3.26 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 0.00 191 G 8.18 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.85 4.84 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 0.90 0.00 0.00 0.81 0.00 0.00 193 L 8.66 4.11 0.00 1.95 1.84 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 194 E 8.95 3.83 0.00 1.95 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 2.34 2.26 0.00 195 E 8.15 3.85 0.00 1.75 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 2.27 2.13 0.00 196 F 8.28 4.85 0.00 3.05 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 0.00 197 Q 8.22 4.21 0.00 1.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.28 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 198 H 8.66 4.61 0.00 3.31 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 7.98 4.54 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 200 G 8.50 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 I 8.02 3.83 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.15 0.88 0.00 0.00 202 G 8.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.17 4.42 0.00 4.12 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 E 8.40 4.04 0.00 2.24 2.12 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 2.56 2.56 0.00 205 I 7.87 3.85 2.29 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 1.15 0.00 0.00 206 Q 8.43 4.06 0.00 2.47 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 207 A 8.24 4.62 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 0.00 208 Y 8.01 3.86 0.00 3.20 3.26 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 0.00 209 V 7.96 4.01 2.41 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 0.97 0.00 0.00 1.18 0.00 0.00 210 G 8.13 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 8.10 4.08 0.00 1.78 1.81 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 *213 A 8.09 4.35 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 214 N 7.37 4.18 0.00 2.91 1.95 0.00 0.00 6.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.94 4.53 0.00 1.93 1.94 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 2.21 2.29 0.00 216 R 7.83 4.08 0.00 1.95 1.87 0.00 3.36 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.62 0.00 217 P 0.00 4.72 0.00 2.06 1.96 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 218 V 8.77 5.12 2.15 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 0.80 0.00 0.00 1.04 0.00 0.00 219 I 9.05 5.39 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.91 0.00 0.00 220 L 8.33 4.74 0.00 1.62 1.58 0.54 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 221 V 8.38 4.94 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 0.99 0.00 0.00 0.90 0.00 0.00 222 A 9.32 5.03 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 0.00 223 D 8.02 5.26 0.00 2.91 2.85 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 0.00 224 G 8.82 3.71 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 0.00 0.00 0.00 225 K 7.75 4.30 0.00 1.74 1.76 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.34 7.81 226 D 7.56 4.69 0.00 2.68 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 0.00 227 T 8.39 4.17 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 1.13 0.00 0.00 228 A 7.74 3.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 K 7.29 3.68 0.00 2.00 1.79 0.00 1.89 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.39 1.49 7.81 230 D 7.76 4.42 0.00 2.60 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 *232 Y 7.99 4.84 0.00 2.78 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 0.00 0.00 0.00 0.00 233 L 8.03 3.99 0.00 1.85 1.74 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 234 R 7.72 4.08 0.00 1.79 2.06 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 235 Q 7.94 4.10 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 236 G 8.47 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 Y 7.92 4.15 0.00 3.04 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 0.00 238 V 9.11 4.52 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 0.79 0.00 0.00 0.99 0.00 0.00 239 Y 9.00 4.09 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 Q 8.65 4.27 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.35 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 241 G 6.17 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 0.00 0.00 0.00 242 F 8.65 5.79 0.00 3.26 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 K 9.23 4.80 0.00 1.35 1.57 0.00 1.17 0.00 0.00 1.54 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.21 7.81 244 Y 8.94 4.70 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 H 9.25 5.69 0.00 3.43 3.49 0.00 5.20 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 I 9.38 5.87 2.26 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 1.10 0.00 0.00 247 L 8.74 5.28 0.00 1.91 1.65 0.51 0.56 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 0.00 248 K 8.79 4.57 0.00 0.79 1.08 0.00 1.21 0.00 0.00 1.32 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.21 7.81 249 E 8.93 3.68 0.00 2.02 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 0.00 2.20 2.33 0.00 250 N 7.69 5.10 0.00 2.63 2.68 0.00 0.00 6.94 7.45 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 0.00 251 I 9.09 3.84 1.93 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 1.15 0.68 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.