NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5255 8.1927 115.4202 57.6357 64.6925 174.1049 3 L 3.2377 8.5326 121.6953 57.3613 41.6124 177.2453 4 R 3.5223 7.8779 118.5371 59.3178 30.4685 177.9459 5 S 4.0180 7.8713 113.9602 61.7062 62.9698 176.1883 6 D 4.3563 8.3125 122.9680 56.6214 40.4173 178.5935 7 L 3.9062 8.1405 121.1674 58.1748 42.1918 178.8866 8 I 3.6285 7.7046 118.5583 64.0317 37.8363 177.3994 9 N 4.2509 8.1641 117.1649 56.3546 38.3258 177.1696 10 A 4.0118 8.0711 121.8597 55.1216 18.4951 179.6710 11 L 3.9717 8.2108 117.7355 58.2684 41.6462 179.0895 12 Y 3.9796 8.6300 119.7377 60.6524 38.6372 177.8479 13 D 4.4269 8.5764 119.0900 57.4682 41.4762 177.7374 14 E 4.1609 8.5517 120.1349 59.3438 29.3262 178.2237 15 N 4.4474 8.2840 116.3157 57.0518 39.1223 176.6760 16 Q 4.1523 7.7944 120.5975 58.5579 28.9076 178.3100 17 K 4.2871 7.9217 122.0531 55.8633 32.7097 179.4117 18 Y 5.1215 7.6476 114.9798 57.3614 41.8016 174.4623 19 D 4.9346 8.7730 123.7684 52.1069 42.3110 176.1796 20 V 3.8317 8.3632 124.7670 63.3579 31.9404 175.5509 21 C 4.6435 8.2805 117.6106 57.4235 31.6835 173.0680 22 G 4.0144 7.4836 105.6289 46.1655 0.0000 172.5077 23 I 4.5819 8.5598 121.4756 59.7188 38.9356 175.1464 24 I 5.1117 8.4358 126.6604 59.2878 40.5516 174.7856 25 S 4.8659 8.9361 122.8355 56.6622 65.1142 175.0810 26 A 3.9801 8.6891 122.8985 54.8979 18.1995 178.3957 27 E 4.2012 8.1875 113.1757 56.7548 29.9424 177.3143 28 G 3.9303 8.4026 107.9925 44.8025 0.0000 173.3038 29 K 4.2597 8.2838 122.1404 55.7041 33.8126 175.4666 30 I 4.9881 8.5050 127.7242 59.8017 40.0356 173.9180 31 Y 4.8867 9.1278 125.2884 55.4222 39.7751 173.9318 32 P 4.5752 0.0000 0.0000 62.8981 32.3603 176.1680 33 L 4.3580 8.3804 122.3049 54.2282 43.1523 176.1293 34 G 4.0728 8.3775 108.7803 44.2940 0.0000 173.6187 35 S 4.6243 8.3681 113.0235 57.9456 63.7222 174.4544 36 D 4.7292 7.4551 121.8202 52.8637 42.1513 177.2386 37 T 4.0377 8.4605 119.3419 67.3046 68.3061 177.4731 38 K 3.9285 8.1090 125.2132 59.8917 31.5997 181.2466 39 V 3.6429 7.5153 118.7530 65.9303 31.6970 178.0578 40 L 3.2753 7.5678 118.9217 57.3575 41.3773 179.7328 41 S 4.2829 8.3370 115.9587 61.2193 63.0143 176.7730 42 T 3.8475 7.3397 118.9229 66.2423 68.0735 176.7648 43 I 3.5928 7.3389 121.5988 64.5119 37.1440 178.4656 44 F 4.1593 7.9389 118.8084 60.4851 38.5574 177.5115 45 E 4.1197 8.1957 118.6707 59.4301 29.3209 178.9170 46 L 4.1445 7.7193 117.4753 57.6517 41.6722 179.0002 47 F 4.3192 8.4406 120.5169 61.3581 39.5851 177.1724 48 S 4.3177 8.3807 114.9543 61.0222 62.6505 176.1103 49 R 3.6740 8.1326 122.0249 59.3085 29.7522 176.6619 50 P 4.2226 0.0000 0.0000 65.7571 31.2603 178.4334 51 I 3.6181 7.4561 119.1035 64.1428 37.0474 178.0910 52 I 3.5569 7.6390 120.6627 64.5442 36.9009 178.2014 53 N 4.2461 8.0148 117.1131 56.1810 38.3373 177.1515 54 K 3.8782 8.1175 120.9121 59.6897 32.2100 178.7379 55 I 3.7206 7.9064 119.5652 64.2839 37.0861 178.2668 56 A 4.0965 8.3570 124.1182 56.0107 18.2058 180.1173 57 E 4.0136 8.3088 116.7527 61.2476 29.5305 181.0988 58 K 4.2067 8.1481 119.3892 58.8297 32.1845 177.6075 59 H 4.9042 7.7273 114.4071 54.7484 29.1016 174.7709 60 G 3.8460 8.1607 108.3778 46.6561 0.0000 173.2691 61 Y 4.5794 8.3937 119.3753 56.8166 39.6707 176.2731 62 I 4.2128 8.2736 123.3688 59.5285 37.5642 173.5611 63 V 4.8710 8.1938 124.2719 60.9005 33.8235 174.4361 64 E 4.8078 9.3500 127.8310 54.6918 32.8110 174.2519 65 E 5.0819 8.7088 125.3834 53.0535 32.0212 174.1853 66 P 4.3152 0.0000 0.0000 63.7549 31.8531 177.4730 67 K 4.4047 8.5421 123.4437 55.2927 32.1872 177.6384 68 Q 4.6620 7.4157 118.2886 55.0865 31.8353 181.2013 69 Q 3.9861 8.6639 118.0719 57.7722 28.3055 177.3847 70 N 5.0860 7.9084 112.9540 53.9705 39.2185 174.2655 71 H 5.1822 7.6552 114.3281 54.2052 32.0001 172.8135 72 Y 4.8000 8.9649 125.1637 55.7498 41.0690 172.9840 73 P 4.2828 0.0000 0.0000 60.8662 33.6059 174.7682 74 D 4.2734 8.8529 118.7814 56.9563 41.7611 177.3316 75 F 5.0436 8.3614 116.2883 55.9845 43.5918 173.9962 76 T 5.1277 9.3020 120.4544 61.9118 71.0173 173.1010 77 L 5.7162 9.2103 127.2310 52.4690 44.4599 175.2503 78 Y 5.2054 8.0817 119.1886 56.0311 41.3407 173.4472 79 K 4.3353 8.3832 120.6063 54.5591 33.5892 176.0881 80 P 4.3923 0.0000 0.0000 65.7122 31.4644 178.1319 81 S 4.2526 7.9517 111.3020 60.1864 63.9402 174.0592 82 E 4.6956 7.8082 120.7145 53.8759 29.1540 174.8278 83 P 4.0685 0.0000 0.0000 64.9238 31.9998 177.8344 84 N 4.8968 7.9209 114.7799 52.8819 39.0053 174.6424 85 K 4.7253 7.5602 115.9463 55.8401 32.0839 177.0002 86 K 4.3179 8.2634 119.5244 56.4226 34.0064 177.4057 87 I 4.6525 8.7723 123.2786 59.4375 40.2553 174.4164 88 A 4.8715 8.6405 129.6869 50.8475 20.5944 175.8144 89 I 4.9967 8.9211 123.8373 59.5100 40.4671 174.0994 90 D 5.3203 9.3087 127.2113 52.4310 44.0716 174.5387 91 I 4.8926 9.1110 127.3656 60.5860 38.3719 175.5201 92 K 4.9629 9.1565 125.5190 55.0788 36.3044 175.5180 93 T 5.6455 8.6930 118.5971 62.7517 73.4697 172.5264 94 T 4.7085 8.8006 117.8057 61.5452 71.7042 171.0394 95 Y 4.9842 7.9850 121.2554 55.1745 41.5786 174.2392 96 T 4.2889 8.3563 112.3920 60.6103 70.5787 174.5599 97 N 4.4626 9.3042 127.7680 55.9625 39.2847 176.4188 98 K 4.6657 8.4149 121.3526 52.6035 34.9645 177.9507 99 E 4.1073 8.7110 121.0781 57.5803 30.0960 176.4032 100 N 4.5719 8.8670 116.8020 52.4280 35.2709 174.3283 101 E 4.4261 7.4507 116.5318 56.4566 30.4123 176.5861 102 K 4.4038 8.1129 119.4423 56.6853 33.0232 176.5466 103 I 4.7323 8.9327 117.8884 60.2872 41.5877 174.5192 104 K 5.2953 8.0043 123.8966 54.1833 35.6855 175.2887 105 F 5.0572 9.5452 120.3668 55.8489 43.4763 174.3561 106 T 4.7136 8.7081 111.5028 60.1591 69.6980 174.5537 107 L 4.5453 8.9349 130.1990 54.7068 41.8765 178.4692 108 G 4.0506 8.6176 102.6926 45.1216 0.0000 173.8830 109 G 3.6676 8.0690 107.8286 45.5219 0.0000 173.2777 110 Y 4.4761 7.9860 117.8346 56.5939 38.4007 176.8101 111 T 4.6992 7.3488 108.4610 61.4563 71.4012 173.7182 112 S 4.4212 7.3176 117.1348 58.1851 60.6709 177.1113 113 F 4.4446 8.5212 118.7180 59.3537 37.7716 177.2446 114 I 3.1695 6.6391 113.2033 62.1869 37.6399 176.4475 115 R 4.3550 6.9858 115.8346 55.8456 31.9457 175.3666 116 N 4.7612 8.1650 116.4151 51.6879 41.0193 173.9462 117 N 4.3552 8.8626 125.9826 56.5337 39.1576 175.7427 118 T 4.7423 8.2038 105.3794 60.8789 69.2283 173.0257 119 K 4.2946 8.3672 123.7867 56.6232 32.8012 175.9696 120 N 4.4461 8.9171 124.0232 54.2298 36.2233 173.4699 121 I 5.1568 7.4718 114.9425 58.9918 41.5797 174.8220 122 V 3.7378 8.9864 127.0307 65.5879 31.5382 175.8543 123 Y 4.7690 7.5381 113.9570 54.8476 41.4473 173.5772 124 P 4.6137 0.0000 0.0000 63.1058 32.2906 177.1767 125 F 4.3558 9.9036 125.8010 61.7635 39.3191 176.4355 126 D 4.6570 8.9013 116.5090 54.3438 39.1876 176.5215 127 Q 4.3231 8.5542 119.0228 56.1807 29.4715 174.3978 128 Y 4.8774 7.7125 116.7660 56.2698 39.4704 175.4904 129 I 4.4508 8.3541 116.7719 61.0035 39.1163 175.4331 130 A 4.7735 7.5566 124.0274 50.9267 23.1036 174.9952 131 H 5.0744 8.9746 116.8691 54.0700 31.8991 172.3863 132 W 5.5153 9.3889 124.0134 55.2785 31.9107 175.5689 133 I 4.9454 9.1453 123.4071 59.7984 40.0819 174.8270 134 I 4.3514 8.9719 129.4117 59.9340 38.0171 174.6653 135 G 3.1646 7.1803 115.3552 44.5418 0.0000 170.5612 136 Y 5.1311 9.1207 122.4471 55.9225 41.2399 174.8957 137 V 5.4317 9.0658 123.2280 60.1572 34.8217 173.7873 138 Y 5.3784 8.4552 124.7642 55.5291 41.8798 174.2343 139 T 4.9725 8.8138 120.4062 62.8866 70.1426 175.4347 140 R 4.5357 8.8992 127.8426 56.8862 29.8694 173.6303 141 V 4.2841 8.3423 124.9943 62.4425 32.6714 175.7311 *145 K 4.1665 8.4282 117.8978 53.7999 33.2447 173.9099 146 S 4.2490 8.8558 117.6112 61.2335 62.6567 176.7693 147 S 4.3458 8.0688 114.6316 60.2374 62.6019 174.7119 148 L 4.3029 8.0404 119.4875 55.0257 41.8647 175.9967 149 K 4.5559 7.5987 119.1511 54.2849 34.8619 174.8560 150 T 4.6031 7.8762 111.4653 61.0886 70.4249 173.2240 151 Y 4.7357 8.9604 119.6187 56.4363 42.3604 174.5094 152 N 5.0628 8.5744 117.7641 51.5667 41.1632 176.6333 153 I 3.8241 8.1452 121.7203 61.7720 34.5792 174.0493 *159 I 3.2480 7.6813 121.6732 59.5098 38.0131 174.1668 160 P 4.2550 0.0000 0.0000 62.5270 31.7854 176.0065 161 K 4.0651 8.0827 120.7965 55.0495 32.8946 175.1476 162 P 4.5583 0.0000 0.0000 62.7064 31.6607 175.5044 163 Y 4.8825 6.7163 112.7659 57.4594 40.0893 173.4572 164 K 4.2576 9.3787 124.2536 59.0717 33.1539 176.9487 165 G 4.4165 7.9654 104.4521 45.1787 0.0000 172.0539 166 V 5.0491 8.1465 119.9260 60.8467 34.5903 174.6251 167 K 4.6517 9.0477 126.7682 54.4153 35.6180 175.4591 168 V 4.7260 8.0869 121.3654 59.9688 34.5778 174.4072 169 F 5.1158 8.2323 116.5132 55.3347 41.9738 172.8443 170 L 5.2454 8.4556 120.8646 53.4982 44.4597 175.1275 171 Q 4.5048 8.9020 125.7651 54.8089 33.1234 173.2944 172 D 5.0235 8.3880 123.3384 53.9072 41.8665 177.4363 173 K 3.9376 9.4544 125.4899 59.5509 31.7664 179.3648 174 W 2.8692 7.9849 116.3278 59.2240 27.7852 178.1980 175 V 2.5952 6.6285 119.1857 64.4242 30.7919 176.9657 176 I 3.9951 7.1053 110.2409 59.5572 37.7870 175.3697 177 A 4.4664 7.3262 124.4105 52.5402 18.9463 177.5784 178 G 4.4823 8.9970 111.3153 44.0749 0.0000 172.8133 179 D 4.5489 8.6260 117.0593 52.7576 40.4106 175.5816 180 L 5.1648 7.8277 120.2225 52.6932 44.6811 175.7474 181 A 4.5342 8.9366 124.9317 52.9512 18.5295 177.9363 182 G 4.0258 9.2081 108.0029 47.9842 0.0000 173.9371 183 S 4.3592 7.9386 112.9443 57.7771 65.5829 173.4939 184 G 3.8196 9.0641 109.7653 47.3700 0.0000 175.4401 185 N 4.3314 8.2276 122.0991 54.6022 38.0374 176.3339 186 T 4.1783 7.7415 107.1398 61.0807 69.7291 175.4116 187 T 3.2974 7.3588 110.2559 62.7791 67.8163 170.6838 188 N 5.2363 8.0050 123.9965 52.1906 41.9620 175.9016 189 I 2.8364 8.7225 123.3322 60.9267 38.4313 175.3213 190 G 4.8174 8.2141 112.4337 43.9530 0.0000 173.5456 191 S 5.2354 8.6059 118.3043 56.8346 65.1967 173.6107 192 I 3.9356 8.3346 113.6731 61.4886 38.2466 175.7382 193 H 5.1431 8.7026 123.3058 55.1811 30.3925 172.7155 194 A 4.5664 8.7051 126.8019 50.9745 23.4654 174.8226 195 H 4.7438 8.8793 115.1850 55.5768 29.9450 176.1907 196 Y 4.4646 9.1627 123.0441 61.3261 38.4453 179.0046 197 K 3.7228 8.3401 118.7588 60.2347 32.3611 178.5692 198 D 4.3674 8.2423 119.8485 56.8670 40.4761 178.7785 199 F 3.5029 7.7741 118.0611 60.0638 38.6814 177.6707 200 V 3.2702 6.8073 116.5504 66.0160 31.4385 177.6800 201 E 4.0319 8.2809 116.2332 56.5733 29.6222 176.8055 202 G 3.4085 7.4117 109.3227 47.2031 0.0000 175.5340 203 K 4.1623 7.8011 119.9795 52.9111 30.6870 178.5639 204 G 4.4036 7.3969 110.4258 44.2334 0.0000 171.1210 205 I 4.1177 7.1466 110.6570 61.3951 39.1252 176.4103 206 F 4.7110 7.8620 118.6066 57.4082 39.5080 174.9548 207 D 4.8017 9.5010 123.7099 56.4442 41.4446 177.3066 208 S 4.0702 7.6383 112.2641 55.6541 67.0873 174.5191 209 E 3.1906 7.0697 122.0445 59.0074 29.1400 178.5018 210 D 4.3284 7.6991 118.6977 57.2139 40.8491 178.1563 211 E 4.0287 8.2264 119.8871 59.0759 29.7078 178.3966 212 F 2.5048 7.9474 120.6821 60.9298 39.3461 177.0484 213 L 3.5380 8.0821 118.5877 57.7595 41.2364 179.0776 214 D 4.3618 7.9864 116.6590 57.3746 41.1077 177.3501 215 Y 3.5295 7.9332 120.2394 60.4611 38.5995 178.1744 216 W 4.1410 7.6589 117.5570 58.9350 29.2250 178.3056 217 R 4.2545 8.0124 117.1598 57.5979 29.6359 176.7867 218 N 4.8845 7.4056 114.0539 52.6542 39.6686 173.4633 219 Y 3.3464 7.5516 120.3452 56.7499 39.2861 175.1554 220 E 4.1113 7.3262 126.4814 55.7661 30.3637 177.3643 221 R 4.4907 8.6902 119.7435 58.0698 30.6246 177.4191 222 T 4.8081 7.4769 109.6633 59.5751 73.1994 175.3153 223 S 4.0982 8.6983 123.7252 64.2501 61.9784 178.0676 224 Q 4.1773 7.9942 122.4346 60.4920 28.1576 180.9452 225 L 4.2272 7.4752 119.2104 57.7300 41.7867 180.1100 226 R 3.6164 8.1952 120.4950 59.5005 29.5905 179.3232 227 N 4.4424 8.1643 121.5183 57.2620 37.4510 180.1630 228 D 5.1530 7.5552 116.4135 52.4665 40.6951 179.3244 229 K 4.5106 7.6818 118.3901 57.0982 33.8939 176.0277 230 Y 4.8814 7.4338 114.8876 56.8536 41.1269 175.4709 231 N 4.8214 9.4060 119.8882 52.1288 39.7235 171.8186 232 N 5.3420 7.7742 115.0161 51.8365 41.4926 174.8973 233 I 3.7221 9.0513 120.1574 64.4399 37.8889 177.8148 234 S 4.1712 8.1443 115.4403 61.8409 62.6831 176.4929 235 E 4.0909 9.0407 121.5965 59.4123 29.1167 178.7761 236 Y 3.6246 8.1748 119.6841 60.7253 38.7638 178.4058 237 R 3.8451 8.5492 119.3313 58.9843 30.0717 178.6731 238 N 4.3256 8.1583 117.1829 56.3475 38.9271 176.6879 239 W 4.2249 8.5641 130.2592 60.5678 30.7391 178.0526 240 I 3.2760 7.9922 120.0339 64.3599 36.3176 177.5687 241 Y 3.8600 7.9666 119.3286 60.9676 38.6868 178.3736 242 R 4.1444 7.9938 116.9882 57.0224 30.1566 177.2780 243 G 3.8969 7.7066 108.2830 45.4381 0.0000 173.9011 244 R 2.0000 7.1921 117.2076 56.5379 27.6349 177.4615 *245 K 4.1589 7.1630 122.5457 54.8857 32.3892 177.6964 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.53 0.00 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.53 3.24 0.00 1.67 1.73 0.73 -0.35 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 4 R 7.88 3.52 0.00 1.56 1.72 0.00 2.62 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.00 5 S 7.87 4.02 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.31 4.36 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 7 L 8.14 3.91 0.00 1.84 1.75 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.70 3.63 1.74 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 1.48 0.47 0.91 0.00 0.00 9 N 8.16 4.25 0.00 2.93 2.85 0.00 0.00 6.93 7.07 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 10 A 8.07 4.01 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 11 L 8.21 3.97 0.00 1.87 1.75 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.63 3.98 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.58 4.43 0.00 3.04 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 14 E 8.55 4.16 0.00 2.29 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 1.72 2.41 0.00 15 N 8.28 4.45 0.00 2.91 2.91 0.00 0.00 7.28 6.70 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 16 Q 7.79 4.15 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 17 K 7.92 4.29 0.00 1.86 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.31 1.33 7.81 18 Y 7.65 5.12 0.00 3.42 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.77 4.93 0.00 2.71 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 V 8.36 3.83 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 0.81 0.00 0.00 0.92 0.00 0.00 21 C 8.28 4.64 0.00 2.92 2.87 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 22 G 7.48 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 0.00 0.00 0.00 0.00 23 I 8.56 4.58 2.00 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 0.58 0.92 0.00 0.00 24 I 8.44 5.11 1.91 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 1.44 1.04 0.94 0.00 0.00 25 S 8.94 4.87 0.00 4.25 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 26 A 8.69 3.98 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 27 E 8.19 4.20 0.00 1.98 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 2.31 2.38 0.00 28 G 8.40 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 0.00 0.00 0.00 29 K 8.28 4.26 0.00 1.83 1.70 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.62 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.94 1.26 7.81 30 I 8.50 4.99 1.99 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 1.25 0.59 0.93 0.00 0.00 31 Y 9.13 4.89 0.00 2.91 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 32 P 0.00 4.58 0.00 2.15 1.97 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.22 0.00 33 L 8.38 4.36 0.00 1.45 1.53 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.38 4.07 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 0.00 0.00 0.00 35 S 8.37 4.62 0.00 3.99 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 36 D 7.46 4.73 0.00 2.85 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 37 T 8.46 4.04 4.35 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 1.39 0.00 0.00 38 K 8.11 3.93 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.08 7.81 39 V 7.52 3.64 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 0.87 0.00 0.00 0.97 0.00 0.00 40 L 7.57 3.28 0.00 1.07 0.41 -0.09 0.48 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 41 S 8.34 4.28 0.00 4.07 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 0.00 42 T 7.34 3.85 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 43 I 7.34 3.59 1.41 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.74 0.00 0.00 44 F 7.94 4.16 0.00 2.63 1.80 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 45 E 8.20 4.12 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 46 L 7.72 4.14 0.00 1.89 1.77 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.44 4.32 0.00 3.08 3.28 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 48 S 8.38 4.32 0.00 4.23 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 49 R 8.13 3.67 0.00 2.22 2.14 0.00 3.15 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.01 0.00 50 P 0.00 4.22 0.00 2.19 2.22 0.00 3.76 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 1.87 1.90 0.00 51 I 7.46 3.62 1.93 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 1.42 1.03 0.88 0.00 0.00 52 I 7.64 3.56 1.45 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.52 0.00 0.00 53 N 8.01 4.25 0.00 2.76 2.84 0.00 0.00 6.73 7.17 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 54 K 8.12 3.88 0.00 1.91 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 55 I 7.91 3.72 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 1.65 0.79 0.91 0.00 0.00 56 A 8.36 4.10 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 57 E 8.31 4.01 0.00 1.99 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 2.25 2.19 0.00 58 K 8.15 4.21 0.00 2.01 2.04 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.64 7.81 59 H 7.73 4.90 0.00 3.47 3.62 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.16 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 0.00 0.00 0.00 61 Y 8.39 4.58 0.00 2.87 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 62 I 8.27 4.21 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 1.11 0.77 0.91 0.00 0.00 63 V 8.19 4.87 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 1.12 0.00 0.00 0.91 0.00 0.00 64 E 9.35 4.81 0.00 2.25 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 2.34 2.39 0.00 65 E 8.71 5.08 0.00 1.85 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 2.04 2.25 0.00 66 P 0.00 4.32 0.00 2.06 2.00 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 67 K 8.54 4.40 0.00 1.77 1.69 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 0.99 7.81 68 Q 7.42 4.66 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.87 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 69 Q 8.66 3.99 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.56 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 70 N 7.91 5.09 0.00 2.73 2.91 0.00 0.00 6.69 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 71 H 7.66 5.18 0.00 3.26 3.19 0.00 5.83 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 72 Y 8.96 4.80 0.00 3.04 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 73 P 0.00 4.28 0.00 1.56 0.49 0.00 3.68 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 74 D 8.85 4.27 0.00 2.77 2.13 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 75 F 8.36 5.04 0.00 2.93 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 76 T 9.30 5.13 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 77 L 9.21 5.72 0.00 1.37 1.40 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.08 5.21 0.00 2.81 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 79 K 8.38 4.34 0.00 1.47 1.50 0.00 1.09 0.00 0.00 1.49 0.00 0.00 2.62 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.81 0.21 7.81 80 P 0.00 4.39 0.00 2.01 2.14 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 81 S 7.95 4.25 0.00 3.93 3.95 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 82 E 7.81 4.70 0.00 1.97 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 2.17 2.14 0.00 83 P 0.00 4.07 0.00 2.01 2.06 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 84 N 7.92 4.90 0.00 2.63 2.78 0.00 0.00 6.69 7.61 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 85 K 7.56 4.73 0.00 1.71 1.74 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 86 K 8.26 4.32 0.00 0.84 1.08 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.10 7.81 87 I 8.77 4.65 1.39 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.48 -0.53 0.00 0.00 88 A 8.64 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.92 5.00 2.01 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 1.14 0.60 1.08 0.00 0.00 90 D 9.31 5.32 0.00 2.87 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 91 I 9.11 4.89 2.06 0.00 0.00 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 1.69 1.30 1.23 0.00 0.00 92 K 9.16 4.96 0.00 1.61 1.88 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.49 7.81 93 T 8.69 5.65 4.51 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 1.79 0.00 0.00 94 T 8.80 4.71 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 0.39 0.00 0.00 95 Y 7.99 4.98 0.00 1.96 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 0.00 0.00 0.00 96 T 8.36 4.29 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 1.25 0.00 0.00 97 N 9.30 4.46 0.00 2.90 2.91 0.00 0.00 6.63 7.61 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 98 K 8.41 4.67 0.00 1.65 1.62 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.20 7.81 99 E 8.71 4.11 0.00 1.98 1.78 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 2.23 1.88 0.00 100 N 8.87 4.57 0.00 2.92 2.88 0.00 0.00 6.77 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 0.00 101 E 7.45 4.43 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 102 K 8.11 4.40 0.00 1.44 1.39 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.03 1.23 7.81 103 I 8.93 4.73 1.50 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 1.34 0.77 0.84 0.00 0.00 104 K 8.00 5.30 0.00 1.51 1.55 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.04 7.81 105 F 9.55 5.06 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.71 4.71 4.48 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 1.33 0.00 0.00 107 L 8.93 4.55 0.00 1.47 1.77 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.62 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 0.00 109 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 7.99 4.48 0.00 3.33 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 0.00 111 T 7.35 4.70 4.15 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 1.01 0.00 0.00 112 S 7.32 4.42 0.00 4.05 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 0.00 113 F 8.52 4.44 0.00 3.24 3.56 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 0.00 114 I 6.64 3.17 1.57 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 1.20 0.42 0.51 0.00 0.00 115 R 6.99 4.36 0.00 1.68 1.95 0.00 3.12 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 116 N 8.17 4.76 0.00 2.65 2.72 0.00 0.00 6.61 6.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.86 4.36 0.00 2.94 2.94 0.00 0.00 6.65 7.22 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 0.00 118 T 8.20 4.74 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 1.29 0.00 0.00 119 K 8.37 4.29 0.00 1.93 1.89 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 120 N 8.92 4.45 0.00 3.19 3.13 0.00 0.00 6.48 7.25 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 0.00 121 I 7.47 5.16 1.99 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 1.73 1.08 1.17 0.00 0.00 122 V 8.99 3.74 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 0.75 0.00 0.00 1.01 0.00 0.00 123 Y 7.54 4.77 0.00 3.03 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 0.00 124 P 0.00 4.61 0.00 2.35 2.12 0.00 3.99 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 2.20 2.18 0.00 125 F 9.90 4.36 0.00 3.25 3.44 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 0.00 126 D 8.90 4.66 0.00 2.89 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 0.00 127 Q 8.55 4.32 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 128 Y 7.71 4.88 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.35 4.45 1.89 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 1.15 0.46 0.90 0.00 0.00 130 A 7.56 4.77 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.97 5.07 0.00 3.23 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.39 5.52 0.00 3.22 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 0.00 133 I 9.15 4.95 1.97 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 1.33 1.18 0.80 0.00 0.00 134 I 8.97 4.35 1.92 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 1.13 0.85 0.71 0.00 0.00 135 G 7.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.12 5.13 0.00 2.97 2.50 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 0.00 137 V 9.07 5.43 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 1.26 0.00 0.00 1.14 0.00 0.00 138 Y 8.46 5.38 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.81 4.97 4.35 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 1.28 0.00 0.00 140 R 8.90 4.54 0.00 1.59 1.72 0.00 3.21 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 141 V 8.34 4.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 *145 K 8.43 4.17 0.00 1.75 1.72 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 146 S 8.86 4.25 0.00 4.19 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.07 4.35 0.00 3.89 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 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8.08 4.07 0.00 1.32 0.74 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.35 7.81 162 P 0.00 4.56 0.00 2.22 2.04 0.00 3.45 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 163 Y 6.72 4.88 0.00 3.20 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 0.00 164 K 9.38 4.26 0.00 1.87 1.95 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 165 G 7.97 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 0.00 0.00 0.00 0.00 166 V 8.15 5.05 1.76 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 0.42 0.00 0.00 0.32 0.00 0.00 167 K 9.05 4.65 0.00 1.24 0.82 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.93 1.05 7.81 168 V 8.09 4.73 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 169 F 8.23 5.12 0.00 2.94 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.46 5.25 0.00 1.50 1.41 0.93 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.90 4.50 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 172 D 8.39 5.02 0.00 2.39 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 0.00 173 K 9.45 3.94 0.00 1.90 1.89 0.00 1.87 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.33 1.51 7.81 174 W 7.98 2.87 0.00 3.04 2.87 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 0.00 175 V 6.63 2.60 1.64 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 0.59 0.00 0.00 -0.67 0.00 0.00 176 I 7.11 4.00 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.70 0.00 0.00 177 A 7.33 4.47 1.66 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 0.00 0.00 178 G 9.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.63 4.55 0.00 2.53 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 0.00 0.00 0.00 180 L 7.83 5.16 0.00 1.75 1.75 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.94 4.53 1.70 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 0.00 0.00 182 G 9.21 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 7.94 4.36 0.00 3.87 3.83 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 0.00 184 G 9.06 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 0.00 185 N 8.23 4.33 0.00 2.82 2.98 0.00 0.00 5.92 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 0.00 186 T 7.74 4.18 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 1.20 0.00 0.00 187 T 7.36 3.30 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 1.10 0.00 0.00 188 N 8.01 5.24 0.00 2.73 2.73 0.00 0.00 7.08 7.16 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 0.00 189 I 8.72 2.84 1.50 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.15 -0.04 0.00 0.00 190 G 8.21 4.82 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 0.00 191 S 8.61 5.24 0.00 4.43 4.32 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 0.00 192 I 8.33 3.94 1.70 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.02 0.80 0.00 0.00 193 H 8.70 5.14 0.00 3.13 3.31 0.00 5.93 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.71 4.57 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 8.88 4.74 0.00 3.25 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.16 4.46 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.34 3.72 0.00 1.98 2.12 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.49 7.81 198 D 8.24 4.37 0.00 2.57 2.46 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 0.00 199 F 7.77 3.50 0.00 2.50 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 0.00 200 V 6.81 3.27 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 0.68 0.00 0.00 0.24 0.00 0.00 201 E 8.28 4.03 0.00 1.81 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 2.23 2.38 0.00 202 G 7.41 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 K 7.80 4.16 0.00 1.77 1.65 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.25 7.81 204 G 7.40 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.15 4.12 1.50 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.24 0.74 0.00 0.00 206 F 7.86 4.71 0.00 3.51 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 9.50 4.80 0.00 2.78 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 0.00 208 S 7.64 4.07 0.00 3.75 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 0.00 209 E 7.07 3.19 0.00 1.16 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 2.38 2.39 0.00 210 D 7.70 4.33 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.23 4.03 0.00 2.20 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 0.00 2.59 2.68 0.00 212 F 7.95 2.50 0.00 2.73 3.08 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 0.00 213 L 8.08 3.54 0.00 1.86 1.70 1.13 1.22 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 0.00 214 D 7.99 4.36 0.00 2.86 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 0.00 215 Y 7.93 3.53 0.00 2.42 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 W 7.66 4.14 0.00 2.89 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 0.00 217 R 8.01 4.25 0.00 1.99 2.01 0.00 3.17 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 218 N 7.41 4.88 0.00 2.78 2.66 0.00 0.00 6.93 7.35 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 0.00 219 Y 7.55 3.35 0.00 2.22 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 0.00 0.00 0.00 0.00 220 E 7.33 4.11 0.00 1.54 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 1.79 1.95 0.00 221 R 8.69 4.49 0.00 1.83 2.08 0.00 3.22 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 222 T 7.48 4.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 223 S 8.70 4.10 0.00 3.76 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 Q 7.99 4.18 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 225 L 7.48 4.23 0.00 1.70 1.58 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 226 R 8.20 3.62 0.00 1.69 1.73 0.00 2.28 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.39 0.00 227 N 8.16 4.44 0.00 2.80 2.75 0.00 0.00 6.76 8.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 D 7.56 5.15 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 K 7.68 4.51 0.00 1.37 0.99 0.00 1.50 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.96 7.81 230 Y 7.43 4.88 0.00 3.05 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 0.00 231 N 9.41 4.82 0.00 2.71 2.72 0.00 0.00 6.83 8.07 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 0.00 232 N 7.77 5.34 0.00 3.15 3.02 0.00 0.00 6.37 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 0.00 233 I 9.05 3.72 1.49 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.86 0.00 0.00 234 S 8.14 4.17 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 E 9.04 4.09 0.00 2.34 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 2.40 2.58 0.00 236 Y 8.17 3.62 0.00 2.23 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 0.00 237 R 8.55 3.85 0.00 2.06 2.01 0.00 3.25 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 238 N 8.16 4.33 0.00 2.88 3.07 0.00 0.00 6.74 8.05 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 0.00 239 W 8.56 4.22 0.00 3.51 3.29 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 0.00 240 I 7.99 3.28 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.06 0.79 0.00 0.00 241 Y 7.97 3.86 0.00 3.04 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 0.00 242 R 7.99 4.14 0.00 1.89 1.94 0.00 3.22 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 243 G 7.71 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 R 7.19 2.00 0.00 1.42 0.87 0.00 3.00 0.00 0.00 3.04 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.03 0.00 *245 K 7.16 4.16 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.