NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4198 8.3049 120.3286 55.3244 33.6316 175.5463 2 M 4.2599 7.9920 119.3594 52.9808 33.3302 172.0778 3 E 4.6008 9.2504 117.8519 54.4399 33.0480 175.1842 4 Q 4.3864 8.5346 123.2237 54.4417 30.7554 176.3039 5 V 3.6641 8.6194 125.0422 66.4646 31.5706 177.4726 6 C 3.9282 8.2999 113.4196 61.8670 28.8711 175.4207 7 D 4.2965 7.9652 119.0851 56.5756 40.9517 177.9646 8 V 3.3953 7.2361 117.2982 65.9493 31.7005 177.6521 9 F 4.2998 8.4377 115.3086 57.0031 40.6163 175.0071 10 D 3.9904 7.6208 118.5959 54.7810 38.0221 171.2917 11 I 4.4075 7.0532 119.7027 59.7797 39.5791 175.1431 12 Y 5.5957 8.9370 124.4099 56.1519 42.1131 174.5575 13 A 5.4938 9.3386 121.4999 49.2467 22.1798 174.9465 14 I 5.3355 8.9100 122.6738 59.6608 41.0075 173.9904 15 C 4.9417 9.2063 122.1842 57.6003 33.7593 172.3783 16 A 4.8812 8.3588 120.0650 51.0147 21.2180 175.3958 17 C 5.9624 9.3469 120.4069 57.7187 32.0915 173.9391 18 C 5.8005 8.8452 117.7019 56.2156 32.9527 172.1487 19 K 4.9653 8.5909 117.1649 54.8660 33.8626 177.3232 20 V 4.7931 8.1801 116.2052 59.8810 34.1646 174.9155 21 E 4.4459 8.3847 120.0199 55.4691 29.8214 177.7814 22 S 4.2706 8.4921 117.2786 59.5242 62.8590 174.9392 23 K 4.4691 8.0634 125.5602 55.2452 30.3089 177.9868 24 N 5.4319 6.8403 126.6934 54.2585 40.6812 174.4180 25 E 4.5875 7.4090 117.3196 55.9854 29.9890 177.6438 26 G 3.5588 8.5441 101.8201 46.7187 0.0000 179.1263 27 K 3.4385 8.0088 117.5792 55.0314 35.1290 174.9386 28 K 4.1172 8.3574 120.4801 56.3049 35.5445 173.0964 29 N 4.1242 8.9674 115.9902 53.2996 36.1741 174.5010 30 E 3.5661 7.9758 115.9199 56.7152 30.2445 176.1292 31 V 4.0448 7.6900 124.2906 61.4855 33.0892 174.8407 32 F 5.0267 8.0943 122.7672 56.0454 42.4581 173.6577 33 N 4.8755 8.6284 118.7152 52.1078 40.5208 175.1704 34 N 4.3894 8.8964 115.1896 56.7225 38.5810 176.8175 35 Y 4.5510 8.2620 117.6757 59.8198 38.7831 176.8118 36 T 3.7612 8.3406 117.0041 66.4375 68.6021 173.3033 37 F 4.8700 7.8472 120.2903 56.2957 38.4113 175.0282 38 R 4.8578 9.0158 120.7896 56.0608 33.5569 175.5765 39 G 4.2327 8.6192 107.1009 47.6152 0.0000 173.4032 40 L 4.6511 8.6577 124.7894 56.1080 43.9603 176.8739 41 G 3.9645 7.3714 103.0510 45.3654 0.0000 172.0746 42 N 5.1454 8.9603 119.5854 52.5984 41.7882 174.7081 43 K 3.6491 12.0000 127.4199 57.4895 29.6906 177.2149 44 G 4.0070 7.9810 106.6708 45.6301 0.0000 171.9918 45 V 4.3299 7.0789 112.1110 58.8245 34.5536 174.8770 46 L 3.8410 7.6813 119.7384 54.0744 41.7963 176.0753 47 P 4.1750 0.0000 0.0000 64.1505 31.5927 176.9097 48 W 4.4757 6.0507 113.4957 53.9568 30.1561 176.0598 49 K 4.0224 8.6497 119.8541 58.5982 31.7865 176.9322 50 C 4.7451 7.5681 114.1034 58.8607 34.5651 173.8278 51 I 4.6338 8.1062 127.5619 58.0903 37.6842 175.4923 52 S 4.1264 8.9428 120.5593 61.5507 62.7810 176.5528 53 L 3.9025 7.9361 123.7144 57.7014 41.7966 178.5195 54 D 4.5883 8.0377 117.5716 57.5899 41.2718 177.6714 55 M 4.0546 7.9580 119.0930 58.5720 32.0357 178.5454 56 K 3.8470 8.3667 119.7928 59.6825 32.2836 178.1065 57 Y 3.8013 7.9986 119.5635 60.6609 38.7835 177.3863 58 F 3.9145 8.8107 121.9753 61.4205 39.1155 177.1411 59 R 3.6557 8.2501 117.8468 59.4267 29.5554 178.4539 60 A 3.8833 7.7361 120.4654 54.6426 18.0085 179.9281 61 V 3.1675 6.9687 116.5029 66.1415 31.7390 177.7899 62 T 3.4025 6.8804 106.9779 63.3905 68.6362 174.8100 63 T 4.4015 7.0294 110.4511 61.6640 70.2765 174.3496 64 Y 4.1595 7.4071 123.6608 57.6409 39.2995 175.2108 65 V 3.5085 6.8751 124.8229 60.9731 34.7457 174.2180 66 N 4.3192 5.7700 124.9004 51.2559 38.3246 174.4113 67 E 4.2128 8.2152 119.2099 57.0881 29.3874 177.7060 68 S 4.7414 8.2901 112.3253 57.9674 63.5522 174.5491 69 K 4.6313 8.4035 119.2678 56.1643 33.9494 177.5210 70 Y 4.2100 8.2131 120.7469 60.7724 38.9032 176.7761 71 E 3.8517 8.2760 119.6139 58.9746 28.8618 178.4890 72 K 4.0680 7.6743 119.1783 58.8431 32.1876 178.3863 73 L 4.1586 8.0858 119.3482 56.3973 41.8385 178.9549 74 K 3.6631 7.1725 119.4393 59.4141 32.0380 177.7514 75 Y 4.3345 7.7787 117.4501 58.9991 38.7143 176.7649 76 K 3.9213 7.0127 116.9925 59.2920 32.8077 178.5153 77 R 3.5075 8.1753 118.4803 59.3755 29.9929 179.0114 78 C 4.1520 7.9974 116.4793 62.7469 28.2566 175.5905 79 K 4.1612 7.2779 116.8344 57.5040 31.4113 176.1043 80 Y 4.6419 7.3399 117.6471 58.4093 42.3250 176.7278 81 L 4.2492 7.9295 121.6910 54.7224 40.9004 177.6937 *93 P 4.2441 0.0000 0.0000 62.2453 31.5929 174.8423 94 N 4.9896 7.7957 122.5298 53.4407 42.3000 173.2444 95 S 3.8669 8.5407 113.7011 58.9355 60.8527 172.2386 96 K 3.8515 8.3404 122.5495 59.6979 32.0625 177.0309 97 K 4.3451 7.5125 118.5199 54.2905 30.4815 174.2187 98 L 3.6394 7.8571 121.7615 55.7694 42.7357 176.4142 99 Q 4.8693 8.4704 124.3111 54.2833 32.7736 173.6475 100 N 5.4335 8.6494 115.3800 52.0205 42.7878 173.9001 101 V 4.5831 8.6007 120.3811 62.0096 33.7131 175.3141 102 V 5.0780 8.4719 120.0350 58.1662 32.8355 175.0947 103 V 4.1829 8.3485 124.5665 62.5372 33.5489 174.0948 104 M 4.7302 8.2384 118.6167 54.3700 33.9016 174.7827 105 G 4.0634 8.3601 110.9624 45.3944 0.0000 174.3212 106 R 3.9019 8.2755 118.2337 59.8860 30.1566 178.7474 107 T 3.9225 8.0722 114.9273 66.8407 67.9004 175.7495 108 N 4.2129 8.0922 118.0404 56.5466 38.9538 176.3203 109 W 4.1733 8.4242 128.7270 60.7667 30.7477 177.4400 110 E 4.1489 8.6272 118.0807 59.3813 29.0213 179.0090 111 S 4.2318 7.7503 113.0368 60.2850 62.9907 175.2883 112 I 3.6156 6.6435 122.8340 60.2772 37.1297 174.2677 113 P 4.3728 0.0000 0.0000 62.1067 31.3804 176.0410 114 K 3.8893 7.9120 117.8666 58.7702 32.3519 179.3551 115 K 3.5655 7.4476 122.8166 59.1626 32.3804 177.5999 116 F 5.0864 7.1830 114.5659 56.7954 39.1457 175.3820 117 K 4.4830 8.1227 120.0602 53.8117 35.2680 175.0255 118 P 4.7682 0.0000 0.0000 61.8070 32.7309 175.3628 119 L 4.2278 10.8200 118.8418 54.0588 41.2307 177.1924 120 S 4.1414 8.6982 118.8368 60.1720 62.9992 174.0165 121 N 4.5112 9.0264 118.6431 53.7283 35.7241 173.8722 122 R 4.6913 7.6384 115.3694 54.5874 34.7055 175.8908 123 I 3.9812 8.6865 123.9858 60.8155 37.4559 174.3440 124 N 4.9301 8.4390 125.1360 52.9166 39.6785 174.3802 125 V 4.7084 8.4131 123.0264 61.0637 35.4638 174.0961 126 I 4.6965 7.9630 126.7362 59.3383 41.0042 174.2298 127 L 4.6870 8.3553 128.5481 54.1444 42.9117 175.0774 128 S 4.7868 8.5985 120.0956 57.6148 66.1451 174.6810 129 R 4.6690 8.7756 121.1512 56.1877 31.3715 176.3804 130 T 4.4055 7.8628 106.6444 63.0080 70.4086 175.1108 131 L 4.1728 7.9431 121.0948 54.3267 42.3630 176.6027 132 K 4.7144 8.2526 119.3833 54.6445 35.1608 177.3788 133 K 4.0487 8.8674 120.8555 59.0815 31.6391 177.5429 134 E 4.0060 7.2722 118.7719 59.0005 29.9134 177.7675 135 D 4.3153 7.8799 120.2497 56.4811 39.6211 177.3202 136 F 4.6282 7.5885 117.1711 56.1362 39.5419 174.3822 137 D 4.6506 8.5242 121.5274 54.5899 41.0335 177.4708 138 E 4.0353 8.6060 118.6765 57.9583 29.9943 177.3703 139 D 4.3811 7.4024 117.5756 55.7769 42.1255 177.0393 140 V 3.7420 7.2050 120.3850 62.5148 30.0229 174.9870 141 Y 4.6437 7.4260 124.6749 58.0300 39.4395 174.5802 142 I 4.9091 8.0994 119.9257 59.9831 41.5757 174.2343 143 I 4.7483 8.7874 117.5349 59.5771 41.0894 175.2725 144 N 5.0282 8.4362 116.0850 52.0279 40.7743 174.5777 145 K 4.3192 7.7715 116.3775 55.0189 35.6394 175.7712 146 V 3.3023 8.4962 123.6839 66.2382 31.6395 177.4328 147 E 4.0566 7.9874 118.2754 59.1514 29.5783 178.0719 148 D 4.4964 8.3617 115.7421 55.0229 40.7989 176.9245 149 L 4.3030 7.7918 122.5583 56.9464 42.8054 178.1118 150 I 3.1530 7.5504 119.3534 64.7695 36.8196 177.6404 151 V 3.4459 7.7302 117.9122 65.9755 31.0304 177.2304 152 L 3.6823 7.7267 119.6139 58.3576 42.0602 178.9969 153 L 4.0447 7.9125 118.6155 57.3475 41.6238 179.1591 154 G 4.2254 8.3981 103.5115 46.3904 0.0000 173.8412 155 K 4.6142 7.6056 118.5005 55.7904 33.1949 175.2529 156 L 4.8405 8.3159 119.0573 53.0563 44.5767 176.2798 157 N 5.0670 8.6520 117.6309 51.6407 38.5061 173.6685 158 Y 5.0140 8.1358 119.2960 54.9692 41.2267 175.2139 159 Y 4.3491 8.9463 123.9654 60.0695 38.8408 175.4636 160 K 4.4466 9.5092 117.3774 54.7527 37.6253 174.0181 161 C 5.0128 8.3271 122.3944 57.7806 33.6617 172.3958 162 F 5.3256 9.1661 125.7704 55.9385 40.9881 175.2879 163 I 4.2345 9.4556 127.7832 60.8219 36.4321 176.5314 164 L 4.3540 9.1192 128.1817 55.4051 42.7364 180.2589 165 G 3.3495 7.6251 100.5538 44.1383 0.0000 178.0456 166 G 3.7028 7.5544 120.6682 43.4634 0.0000 173.3447 167 S 4.1514 8.4303 112.7281 61.8122 61.8460 176.6150 168 V 3.7055 7.6416 119.9115 65.7912 31.5566 177.7416 169 V 3.6307 7.6827 117.5271 66.4600 31.2374 177.1237 170 Y 4.3462 7.9582 116.2344 61.8917 37.7205 178.4610 171 Q 3.7860 7.8565 118.1700 59.4062 29.3586 179.2277 172 E 3.9442 8.3178 118.0749 59.6338 29.7556 179.0208 173 F 4.1072 8.1245 118.9013 60.1362 39.0161 177.7633 174 L 4.2493 8.6554 118.8924 58.0280 41.2791 179.3401 175 E 4.1365 8.2469 117.2853 58.9325 29.3565 178.4004 176 K 4.4305 7.9375 116.5823 55.5951 33.1568 176.9121 177 K 4.0472 7.8656 116.7359 57.6808 30.0750 175.3955 178 L 4.5185 8.1448 117.4199 54.9884 42.4590 177.0729 179 I 4.5932 7.7824 120.5787 60.0055 38.4118 175.2186 180 K 4.5146 9.7732 128.1551 58.7566 33.4147 176.5942 181 K 5.3387 8.5582 116.8768 54.9171 37.3815 175.6943 182 I 5.0636 8.6266 122.5285 60.0653 40.2632 174.8460 183 Y 4.6201 9.8022 127.4919 57.1521 38.0523 173.7302 184 F 4.8433 9.0491 127.0051 56.8706 41.3914 174.3101 185 T 4.7429 8.6317 123.7145 62.5454 70.6184 174.1606 186 R 4.6780 8.3856 125.9015 54.5406 31.8125 175.7548 187 I 3.8164 8.5617 127.3141 60.0847 37.8231 176.0974 188 N 5.3861 8.3295 131.1249 51.0500 36.4708 174.0859 189 S 4.6145 7.6097 114.1060 57.5706 66.6314 175.6172 190 T 4.8672 8.2079 118.5146 63.2191 69.3637 173.6569 191 Y 4.9271 8.8917 122.5773 56.1596 42.7083 174.3860 192 E 4.3658 8.9542 121.8508 55.9885 30.4699 175.4803 193 C 5.1100 8.5892 122.4542 58.1755 32.2564 173.1043 194 D 4.9503 8.4789 118.5562 52.7639 40.9125 176.2367 195 V 4.2793 6.9060 112.2036 59.3933 35.4000 174.5576 196 F 5.5020 8.4910 121.2369 55.4217 43.0756 174.4062 197 F 4.3563 9.3529 124.2613 57.5360 39.9347 173.5722 198 P 4.5328 0.0000 0.0000 62.1100 31.8208 175.9768 199 E 4.1542 8.8466 122.8235 56.3102 29.6224 176.5626 200 I 3.9908 8.4098 128.0381 60.9501 38.0875 175.2316 201 N 4.6024 8.8770 123.9583 53.0160 38.8761 175.3624 202 E 4.5829 8.7675 124.9373 57.8534 29.8375 177.5284 203 N 4.6511 8.6856 116.0810 54.3594 39.4310 175.8172 204 E 4.2748 7.9780 115.4468 56.1018 30.6782 175.0042 205 Y 5.4438 8.0622 115.8663 56.8352 42.4330 173.5380 206 Q 4.8373 8.8635 118.6265 55.0465 32.4684 173.6232 207 I 4.2007 8.3491 122.9008 61.4651 37.2454 175.7355 208 I 4.4382 8.6321 119.8840 61.0129 39.3517 175.7969 209 S 4.6944 7.5006 117.8136 57.5058 67.4474 173.5722 210 V 4.8749 8.1094 116.0379 59.7037 34.8831 175.8479 211 S 4.6011 8.8758 121.1798 56.9368 64.8947 173.2795 212 D 4.3202 8.5358 119.1642 54.2495 41.5156 174.8704 213 V 4.2887 7.5302 122.1961 61.7924 33.2936 174.1107 214 Y 4.9524 8.7865 123.0344 56.7395 43.0029 173.8737 215 T 5.1100 8.5698 116.1333 62.0484 71.4185 174.3162 216 S 4.3813 9.4862 120.2348 58.1553 66.0266 173.4744 217 N 4.2358 9.7511 125.4670 54.7199 35.6623 173.2570 218 N 4.2595 8.2320 107.0700 54.2287 38.1496 172.8600 219 T 4.7575 7.5290 108.8229 60.6245 71.4541 172.5781 220 T 5.0453 8.3834 117.2481 61.2058 71.3194 173.1314 221 L 5.0607 8.6639 121.3477 56.2077 44.3590 172.9781 222 D 4.8125 7.6702 118.2977 52.1298 43.6816 173.4395 223 F 5.1912 9.1539 117.0631 55.5713 42.4086 174.8595 224 I 4.9890 8.9093 116.4449 59.0229 41.5853 174.3719 225 I 4.7476 8.1296 122.3500 59.8151 40.4105 174.5081 226 Y 4.9715 8.8015 125.1917 56.8045 40.1138 174.7433 227 K 5.1517 9.2315 123.3209 54.2004 36.2168 175.2654 228 K 4.3590 9.0323 129.0226 56.9041 32.7343 176.7216 229 T 4.3310 8.4556 118.1907 61.8756 70.2497 174.4050 230 N 4.9954 8.6428 115.0066 52.3796 40.8698 173.8434 231 N 4.6775 8.0879 117.5201 52.2734 40.1032 174.4403 232 K 4.2129 8.6965 124.1716 57.0457 32.1289 175.5616 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 1 M 8.30 4.42 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 M 7.99 4.26 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 3 E 9.25 4.60 0.00 2.06 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 2.25 2.54 0.00 4 Q 8.53 4.39 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 5 V 8.62 3.66 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.07 0.00 0.00 6 C 8.30 3.93 0.00 3.28 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 7 D 7.97 4.30 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 8 V 7.24 3.40 1.55 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 -0.05 0.00 0.00 0.44 0.00 0.00 9 F 8.44 4.30 0.00 3.12 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 10 D 7.62 3.99 0.00 2.60 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.05 4.41 2.15 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 1.34 0.95 0.78 0.00 0.00 12 Y 8.94 5.60 0.00 3.03 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 13 A 9.34 5.49 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 14 I 8.91 5.34 1.93 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 1.72 1.44 1.19 0.00 0.00 15 C 9.21 4.94 0.00 2.88 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 16 A 8.36 4.88 1.39 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 0.00 0.00 17 C 9.35 5.96 0.00 3.17 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 18 C 8.85 5.80 0.00 3.68 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 19 K 8.59 4.97 0.00 1.84 1.67 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.91 1.08 7.81 20 V 8.18 4.79 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.86 0.00 0.00 21 E 8.38 4.45 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 22 S 8.49 4.27 0.00 3.91 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 23 K 8.06 4.47 0.00 1.85 2.22 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.51 7.81 24 N 6.84 5.43 0.00 2.81 2.88 0.00 0.00 6.61 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 25 E 7.41 4.59 0.00 2.03 1.82 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 2.17 2.23 0.00 26 G 8.54 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 0.00 0.00 0.00 27 K 8.01 3.44 0.00 1.87 1.95 0.00 1.83 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.41 7.81 28 K 8.36 4.12 0.00 1.67 1.59 0.00 1.97 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.19 1.32 7.81 29 N 8.97 4.12 0.00 2.81 2.80 0.00 0.00 6.79 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 30 E 7.98 3.57 0.00 1.71 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.89 0.00 31 V 7.69 4.04 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 0.84 0.00 0.00 0.85 0.00 0.00 32 F 8.09 5.03 0.00 3.06 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 33 N 8.63 4.88 0.00 3.03 2.97 0.00 0.00 7.22 6.77 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 34 N 8.90 4.39 0.00 2.90 3.01 0.00 0.00 6.45 7.48 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 35 Y 8.26 4.55 0.00 2.87 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 0.00 0.00 36 T 8.34 3.76 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 0.86 0.00 0.00 37 F 7.85 4.87 0.00 3.14 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 38 R 9.02 4.86 0.00 1.92 1.87 0.00 2.29 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 39 G 8.62 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 0.00 0.00 0.00 0.00 40 L 8.66 4.65 0.00 1.70 1.74 1.20 0.86 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 41 G 7.37 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 0.00 0.00 0.00 42 N 8.96 5.15 0.00 2.61 2.55 0.00 0.00 7.23 5.12 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 43 K 12.00 3.65 0.00 1.95 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 44 G 7.98 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 45 V 7.08 4.33 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 46 L 7.68 3.84 0.00 1.05 0.13 0.69 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.17 0.00 2.00 2.27 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 48 W 6.05 4.48 0.00 3.00 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 0.00 0.00 0.00 49 K 8.65 4.02 0.00 1.85 1.96 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.43 7.81 50 C 7.57 4.75 0.00 2.92 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 51 I 8.11 4.63 1.66 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.74 0.00 0.00 52 S 8.94 4.13 0.00 4.03 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 0.00 53 L 7.94 3.90 0.00 1.75 1.69 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.04 4.59 0.00 2.81 2.84 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 55 M 7.96 4.05 0.00 2.13 2.28 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 2.64 2.51 0.00 56 K 8.37 3.85 0.00 1.87 1.99 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 57 Y 8.00 3.80 0.00 2.78 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.81 3.91 0.00 3.15 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 0.00 0.00 59 R 8.25 3.66 0.00 2.02 2.03 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 60 A 7.74 3.88 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 61 V 6.97 3.17 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 -0.18 0.00 0.00 -0.16 0.00 0.00 62 T 6.88 3.40 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 -0.06 0.00 0.00 63 T 7.03 4.40 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 1.19 0.00 0.00 64 Y 7.41 4.16 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 6.88 3.51 1.71 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 0.28 0.00 0.00 0.98 0.00 0.00 66 N 5.77 4.32 0.00 2.50 2.40 0.00 0.00 7.19 7.65 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 67 E 8.22 4.21 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 68 S 8.29 4.74 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.40 4.63 0.00 2.19 2.00 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.60 7.81 70 Y 8.21 4.21 0.00 3.17 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 71 E 8.28 3.85 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 72 K 7.67 4.07 0.00 2.00 1.96 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 73 L 8.09 4.16 0.00 1.60 1.48 0.76 0.76 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 74 K 7.17 3.66 0.00 0.86 1.61 0.00 1.71 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.41 7.81 75 Y 7.78 4.33 0.00 2.85 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 76 K 7.01 3.92 0.00 1.83 1.69 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 1.25 7.81 77 R 8.18 3.51 0.00 1.73 1.75 0.00 3.08 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.49 0.00 78 C 8.00 4.15 0.00 3.14 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 79 K 7.28 4.16 0.00 1.51 1.58 0.00 0.70 0.00 0.00 0.94 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.25 7.81 80 Y 7.34 4.64 0.00 2.86 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 81 L 7.93 4.25 0.00 1.73 1.13 1.03 0.91 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 *93 P 0.00 4.24 0.00 2.26 2.15 0.00 3.78 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 1.90 1.98 0.00 94 N 7.80 4.99 0.00 2.68 2.71 0.00 0.00 7.37 7.63 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 95 S 8.54 3.87 0.00 4.22 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 96 K 8.34 3.85 0.00 1.71 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.54 7.81 97 K 7.51 4.35 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.33 7.81 98 L 7.86 3.64 0.00 1.34 1.43 0.32 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.47 4.87 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 100 N 8.65 5.43 0.00 2.92 2.97 0.00 0.00 6.40 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 0.00 101 V 8.60 4.58 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 0.84 0.00 0.00 0.67 0.00 0.00 102 V 8.47 5.08 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 1.07 0.00 0.00 1.06 0.00 0.00 103 V 8.35 4.18 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 1.21 0.00 0.00 0.90 0.00 0.00 104 M 8.24 4.73 0.00 2.17 2.40 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 105 G 8.36 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.28 3.90 0.00 1.98 1.98 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 107 T 8.07 3.92 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 1.20 0.00 0.00 108 N 8.09 4.21 0.00 2.80 3.06 0.00 0.00 6.81 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.42 4.17 0.00 3.40 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.63 4.15 0.00 2.13 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 2.57 2.74 0.00 111 S 7.75 4.23 0.00 4.06 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 0.00 112 I 6.64 3.62 1.49 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 1.14 0.58 0.73 0.00 0.00 113 P 0.00 4.37 0.00 2.44 2.02 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 114 K 7.91 3.89 0.00 1.74 1.67 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.49 7.81 115 K 7.45 3.57 0.00 0.79 1.49 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.10 1.04 7.81 116 F 7.18 5.09 0.00 3.01 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 0.00 117 K 8.12 4.48 0.00 1.48 1.36 0.00 0.61 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.64 1.15 7.81 118 P 0.00 4.77 0.00 2.40 2.37 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 119 L 10.82 4.23 0.00 1.83 1.74 1.08 0.93 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 0.00 120 S 8.70 4.14 0.00 4.00 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 0.00 121 N 9.03 4.51 0.00 2.91 2.97 0.00 0.00 7.04 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 0.00 122 R 7.64 4.69 0.00 1.78 1.81 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 123 I 8.69 3.98 1.98 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 1.23 0.94 0.90 0.00 0.00 124 N 8.44 4.93 0.00 2.62 2.80 0.00 0.00 6.41 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 0.00 125 V 8.41 4.71 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 0.98 0.00 0.00 0.99 0.00 0.00 126 I 7.96 4.70 1.44 0.00 0.00 -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 0.63 -0.02 0.77 0.00 0.00 127 L 8.36 4.69 0.00 1.78 1.56 0.95 0.50 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 0.00 128 S 8.60 4.79 0.00 3.84 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 0.00 129 R 8.78 4.67 0.00 1.81 1.91 0.00 3.20 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 130 T 7.86 4.41 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 1.22 0.00 0.00 131 L 7.94 4.17 0.00 1.77 2.10 0.98 1.01 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 0.00 132 K 8.25 4.71 0.00 1.88 1.86 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 133 K 8.87 4.05 0.00 1.78 1.99 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.58 7.81 134 E 7.27 4.01 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 135 D 7.88 4.32 0.00 2.39 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 0.00 136 F 7.59 4.63 0.00 3.05 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 0.00 137 D 8.52 4.65 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.61 4.04 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 139 D 7.40 4.38 0.00 2.38 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 0.00 140 V 7.21 3.74 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 0.24 0.00 0.00 0.89 0.00 0.00 141 Y 7.43 4.64 0.00 2.87 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 0.00 142 I 8.10 4.91 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.36 0.93 0.00 0.00 143 I 8.79 4.75 1.83 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 1.39 0.96 0.91 0.00 0.00 144 N 8.44 5.03 0.00 2.79 2.83 0.00 0.00 7.03 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 0.00 145 K 7.77 4.32 0.00 1.72 1.75 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.25 7.81 146 V 8.50 3.30 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 0.18 0.00 0.00 0.67 0.00 0.00 147 E 7.99 4.06 0.00 2.06 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 2.36 2.34 0.00 148 D 8.36 4.50 0.00 2.77 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 0.00 149 L 7.79 4.30 0.00 1.81 1.77 0.88 1.09 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 0.00 150 I 7.55 3.15 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.56 0.44 0.00 0.00 151 V 7.73 3.45 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 0.97 0.00 0.00 0.88 0.00 0.00 152 L 7.73 3.68 0.00 1.50 1.78 0.35 0.95 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 0.00 153 L 7.91 4.04 0.00 1.62 1.58 0.70 -0.08 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 0.00 154 G 8.40 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 0.00 0.00 0.00 0.00 155 K 7.61 4.61 0.00 1.63 1.77 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.53 7.81 156 L 8.32 4.84 0.00 1.75 1.69 1.00 1.04 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 0.00 157 N 8.65 5.07 0.00 2.71 2.67 0.00 0.00 6.65 7.46 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 0.00 158 Y 8.14 5.01 0.00 3.09 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 0.00 159 Y 8.95 4.35 0.00 2.74 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 0.00 160 K 9.51 4.45 0.00 1.47 1.15 0.00 1.60 0.00 0.00 1.95 0.00 0.00 2.75 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.95 0.35 7.81 161 C 8.33 5.01 0.00 3.07 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 0.00 162 F 9.17 5.33 0.00 2.98 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 0.00 163 I 9.46 4.23 1.84 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 1.20 0.57 0.53 0.00 0.00 164 L 9.12 4.35 0.00 1.68 1.96 1.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 165 G 7.63 3.35 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 0.00 166 G 7.55 3.70 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 0.00 167 S 8.43 4.15 0.00 3.91 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 0.00 168 V 7.64 3.71 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 0.97 0.00 0.00 0.94 0.00 0.00 169 V 7.68 3.63 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 1.23 0.00 0.00 0.93 0.00 0.00 170 Y 7.96 4.35 0.00 2.77 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 0.00 171 Q 7.86 3.79 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 172 E 8.32 3.94 0.00 2.05 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 2.58 2.14 0.00 173 F 8.12 4.11 0.00 3.52 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 0.00 174 L 8.66 4.25 0.00 1.95 1.90 0.97 0.86 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 0.00 175 E 8.25 4.14 0.00 2.12 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 0.00 2.40 2.66 0.00 176 K 7.94 4.43 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.61 7.81 177 K 7.87 4.05 0.00 1.89 1.92 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.43 7.81 178 L 8.14 4.52 0.00 2.16 1.98 0.93 0.67 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 0.00 179 I 7.78 4.59 2.15 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 1.71 0.98 1.08 0.00 0.00 180 K 9.77 4.51 0.00 1.90 2.18 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.59 7.81 181 K 8.56 5.34 0.00 1.82 1.51 0.00 1.42 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.63 7.81 182 I 8.63 5.06 2.02 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 1.22 0.53 0.99 0.00 0.00 183 Y 9.80 4.62 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 F 9.05 4.84 0.00 3.34 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 0.00 185 T 8.63 4.74 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 186 R 8.39 4.68 0.00 1.42 0.66 0.00 2.21 0.00 0.00 2.61 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.29 0.00 187 I 8.56 3.82 1.83 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.36 0.67 0.00 0.00 188 N 8.33 5.39 0.00 2.75 2.84 0.00 0.00 7.08 6.92 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 0.00 189 S 7.61 4.61 0.00 3.64 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 0.00 190 T 8.21 4.87 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 1.27 0.00 0.00 191 Y 8.89 4.93 0.00 2.95 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 0.00 192 E 8.95 4.37 0.00 2.00 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 2.54 0.00 193 C 8.59 5.11 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.48 4.95 0.00 2.56 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 V 6.91 4.28 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 0.77 0.00 0.00 0.79 0.00 0.00 196 F 8.49 5.50 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 0.00 197 F 9.35 4.36 0.00 3.10 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 0.00 198 P 0.00 4.53 0.00 2.04 2.16 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 199 E 8.85 4.15 0.00 1.26 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 2.11 1.71 0.00 200 I 8.41 3.99 1.77 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.93 0.78 0.00 0.00 201 N 8.88 4.60 0.00 2.81 2.91 0.00 0.00 7.23 7.65 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 0.00 202 E 8.77 4.58 0.00 2.05 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 0.00 2.43 2.37 0.00 203 N 8.69 4.65 0.00 2.87 2.87 0.00 0.00 6.89 7.89 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 0.00 204 E 7.98 4.27 0.00 1.90 1.68 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 2.28 2.47 0.00 205 Y 8.06 5.44 0.00 3.19 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 0.00 206 Q 8.86 4.84 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 207 I 8.35 4.20 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.08 0.69 0.00 0.00 208 I 8.63 4.44 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.97 0.00 0.00 209 S 7.50 4.69 0.00 3.69 3.70 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 0.00 210 V 8.11 4.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.86 0.00 0.00 211 S 8.88 4.60 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.54 4.32 0.00 2.49 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 0.00 0.00 0.00 0.00 213 V 7.53 4.29 1.90 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 0.75 0.00 0.00 0.78 0.00 0.00 214 Y 8.79 4.95 0.00 2.89 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 0.00 215 T 8.57 5.11 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 1.22 0.00 0.00 216 S 9.49 4.38 0.00 3.72 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 N 9.75 4.24 0.00 2.84 2.84 0.00 0.00 7.05 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.23 4.26 0.00 2.85 2.92 0.00 0.00 7.01 7.70 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 0.00 219 T 7.53 4.76 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 1.23 0.00 0.00 220 T 8.38 5.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 221 L 8.66 5.06 0.00 1.40 1.51 0.66 0.71 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 0.00 222 D 7.67 4.81 0.00 2.56 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 0.00 223 F 9.15 5.19 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 I 8.91 4.99 1.54 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.69 0.00 0.00 225 I 8.13 4.75 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.64 0.51 0.00 0.00 226 Y 8.80 4.97 0.00 2.83 2.82 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 0.00 227 K 9.23 5.15 0.00 1.82 1.67 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 228 K 9.03 4.36 0.00 2.03 1.83 0.00 1.36 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.44 1.37 7.81 229 T 8.46 4.33 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 1.25 0.00 0.00 230 N 8.64 5.00 0.00 2.68 2.82 0.00 0.00 6.68 8.00 0.00 0.00 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 8.09 4.68 0.00 2.66 2.71 0.00 0.00 7.10 6.68 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 0.00 232 K 8.70 4.21 0.00 1.95 1.79 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.