NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 5.0003 8.2827 118.0953 53.0925 39.4226 171.0723 4 V 4.6928 8.1166 119.9785 59.8010 34.7659 172.3437 5 L 3.7733 8.3813 130.3964 53.3204 44.1674 173.6341 6 Y 4.6653 8.3322 128.0265 55.9123 41.0135 173.9543 7 Q 4.5172 7.6766 127.1879 54.3079 32.8734 172.9286 8 H 4.6461 9.0752 126.8841 55.3591 31.7907 175.5048 9 G 3.7329 8.3765 116.0017 44.8445 0.0000 171.6305 10 T 4.5985 7.4002 106.5914 59.2362 71.9739 174.7436 11 L 3.2071 7.8337 124.2371 57.7921 42.2861 178.6357 12 G 3.8356 8.2159 107.2883 48.9080 0.0000 174.9464 13 T 4.2220 7.8626 117.1570 66.1877 68.7719 176.9407 14 L 3.8657 7.6096 121.0821 55.3112 41.1480 178.1190 *16 A 4.0671 8.0637 120.3135 50.1900 20.1448 178.1854 17 G 4.3304 8.0472 102.5816 45.0647 0.0000 175.0898 18 L 4.3740 7.3714 120.5282 53.7057 40.3097 176.1834 19 L 4.2578 7.4657 119.9025 53.8528 42.2637 176.6107 20 E 4.3485 7.9123 119.2841 56.1011 29.9486 176.9066 21 G 4.0371 8.9421 112.2355 45.3546 0.0000 173.3183 22 T 4.5552 8.7812 113.5375 61.0869 70.2691 173.6753 23 A 4.7564 7.4897 124.1932 50.1339 22.5860 175.1126 24 T 4.8803 8.9555 117.1874 62.1732 71.3734 176.5905 25 I 3.8025 8.2427 125.3125 64.9182 37.0172 178.6385 26 N 4.2829 8.1088 115.9248 56.4717 38.4890 177.0166 27 E 4.0348 7.9497 119.4058 59.2298 29.5087 179.2605 28 L 3.8433 7.8599 119.0915 57.7000 41.5949 179.4880 29 L 3.8411 7.8663 118.5834 57.3988 41.2081 179.3292 30 E 3.8581 7.4722 117.8973 58.6174 29.3979 177.7738 31 H 4.5337 7.5672 114.3318 55.0493 29.5746 174.2259 32 G 4.0442 6.7981 108.6285 45.4756 0.0000 172.7264 33 N 4.9450 8.8054 113.3261 51.7724 39.0030 173.7467 34 L 5.2524 7.8137 121.3030 53.2182 45.4190 175.5323 35 G 4.5100 8.1941 112.8665 46.1352 0.0000 171.0557 36 I 4.9909 7.7723 111.1705 59.7821 41.7073 174.8535 37 A 4.6865 8.0817 121.6257 53.1332 24.3490 174.6144 38 T 4.7040 7.5450 108.5248 61.8110 71.9489 173.7363 39 L 4.7312 8.1364 124.0849 52.7914 44.7154 176.1049 40 T 3.9864 7.9557 116.0698 65.5351 69.4377 175.8121 41 G 3.6619 9.3904 112.9926 45.3092 0.0000 173.5574 42 S 3.5270 7.8589 111.1819 58.1676 61.1534 172.0568 43 D 4.3875 7.7572 119.8172 54.2587 41.1549 176.1636 44 G 3.9884 8.5913 118.3006 44.9787 0.0000 170.6949 45 E 4.5940 8.3553 118.6064 54.5388 33.1319 175.2222 46 V 4.6089 8.8202 125.2673 61.3535 33.8853 174.5091 47 I 4.6470 8.1957 127.8986 59.5287 40.4980 174.5585 48 F 5.1842 9.1623 127.5576 56.4021 40.2801 174.9375 49 L 4.9021 8.7687 126.4238 53.4800 45.1449 176.2522 50 D 4.5838 9.7724 127.3330 55.5922 38.2419 174.9307 51 G 3.9245 8.2428 104.8695 45.7289 0.0000 173.9980 52 K 4.3412 7.8124 119.1045 54.4679 34.3350 174.9111 53 A 4.9367 7.9387 122.6188 50.5516 21.3810 175.0359 54 Y 5.0353 8.3878 120.1135 56.6734 41.7015 174.6113 55 H 5.1764 8.9699 120.9257 54.3675 33.5480 171.7012 56 A 5.0341 8.3894 127.5898 50.1488 21.4791 175.2173 57 N 5.2680 8.3195 120.3872 50.7124 40.3927 175.6378 58 E 4.0681 8.8219 115.8628 58.7410 29.9014 177.0984 59 H 4.8091 9.0784 117.4015 55.4312 28.9678 175.7280 60 K 3.9275 7.8702 115.8089 57.1833 30.4869 175.7025 61 E 4.5072 7.7913 117.9587 56.2260 31.1352 175.8505 62 F 5.1639 8.5656 124.3717 57.1394 42.2805 173.2362 63 I 4.8893 8.5026 118.8475 59.5158 41.8009 173.1928 64 E 4.8035 8.6974 123.6324 54.9252 30.2466 175.8526 65 L 4.0997 8.6615 127.7481 54.6407 41.9266 177.5553 66 K 3.9735 9.1194 124.3644 59.9151 32.5139 177.0959 67 G 3.6845 8.4776 109.4700 45.6448 0.0000 174.7252 68 D 4.6385 7.8977 117.5984 53.6007 40.4543 176.4984 69 E 4.1648 7.8879 120.4570 56.7954 30.7194 176.0343 70 K 5.1152 8.5499 121.4059 55.2875 34.9768 175.7825 71 V 4.7773 9.1286 116.2502 59.2875 35.0307 174.7133 72 P 4.6317 0.0000 0.0000 64.3423 32.5293 175.3017 73 Y 5.2729 7.8062 121.0060 56.6333 42.2755 173.0629 74 A 4.8213 8.6887 127.1077 50.7472 23.6244 174.9003 75 S 4.8568 8.9754 116.0264 56.7323 66.6607 173.2663 76 I 5.3048 8.7656 123.7217 60.5674 41.9710 173.0195 77 T 4.7657 8.8119 118.7615 61.3491 71.4957 172.5465 78 N 4.9480 8.8470 123.8166 51.4606 38.5886 173.0234 79 F 4.3112 9.1200 124.6713 58.3879 39.6524 175.1534 80 K 4.0701 7.9655 128.7805 53.4117 32.5309 174.1363 81 A 3.6685 7.6819 127.1607 52.3899 18.3973 177.4557 82 S 4.6099 8.9591 117.7655 58.7001 64.9136 173.9058 83 K 4.7828 7.5878 121.3652 55.7042 35.4562 174.3599 84 T 5.2851 8.2787 122.3844 61.9945 72.5790 173.1295 85 F 4.8661 8.1865 116.3343 55.7169 41.3637 171.7343 86 P 5.1365 0.0000 0.0000 62.7075 33.1781 174.8709 87 L 4.8321 8.4826 118.6200 53.8804 46.4209 175.0395 88 Q 4.7943 8.4554 119.8060 54.7924 32.9030 174.9109 89 Q 3.3096 8.2674 119.1404 56.9827 26.8493 173.7363 90 L 4.7657 7.7279 118.1811 51.9485 46.5122 177.3066 91 S 4.4407 8.1697 116.4774 57.4035 65.3334 175.2035 92 Q 2.5200 7.4729 121.6223 59.0046 28.5652 177.9966 93 D 4.4381 7.7764 119.1869 57.7912 40.8005 178.6571 94 D 4.3870 7.8187 118.7256 57.0635 40.7233 179.0784 95 V 3.6519 7.6445 119.1168 65.9794 31.5278 178.1700 96 F 4.4126 8.3292 117.7797 60.5530 38.5946 177.5083 97 A 4.2273 8.4126 120.5233 55.1599 18.0785 179.8343 98 Q 3.9235 7.9657 116.4130 59.2864 28.6483 178.8608 99 I 3.9887 7.7609 119.5418 64.5081 37.2411 178.4448 100 K 4.0538 8.5492 118.7535 59.2480 31.8564 178.7540 101 N 4.5154 7.6823 116.2151 55.3485 39.8350 176.5425 102 E 4.1529 7.9235 120.9236 55.2681 26.8192 176.1976 *104 L 4.3369 7.4624 121.6188 54.9295 44.6702 176.5748 105 S 4.5172 7.2607 108.6254 57.5409 64.8341 175.1355 106 E 4.3609 8.9208 123.9239 57.1223 29.6401 176.5673 107 N 4.7996 8.1755 116.0273 53.3655 39.0330 174.1894 108 L 4.9941 7.4643 117.3714 52.6320 45.6272 176.2891 109 F 4.8640 8.8335 118.8923 57.8354 40.6879 174.8409 110 S 5.2325 9.3817 113.8772 57.5039 66.8374 172.7535 111 A 5.6253 9.3001 122.7963 50.5795 22.0923 175.8157 112 V 5.1879 8.4619 112.4166 59.6316 36.7609 174.8646 113 K 4.6231 9.0083 123.6969 55.0041 35.7492 174.9165 114 I 5.0198 9.0251 128.6194 59.8592 40.0531 173.7969 115 Y 5.1065 10.0667 128.8169 54.5855 41.7106 175.2453 116 G 3.4401 6.3837 113.1371 45.7933 0.0000 171.0139 117 T 4.8962 7.7864 113.7671 60.0654 71.5815 174.3234 118 F 4.9629 9.0577 123.0193 55.6020 41.6386 176.3892 119 K 4.2140 9.1384 124.0022 59.5092 33.2542 176.0355 120 H 5.3319 7.8189 117.4006 53.9403 34.6031 171.1962 *122 H 5.0152 8.5510 117.9493 56.2804 30.9444 172.4040 123 V 5.1076 8.8373 118.2056 59.8523 36.6402 174.3912 124 R 5.5828 8.6320 117.3837 53.0079 32.8008 172.0234 *127 P 4.5423 0.0000 0.0000 62.8403 32.2219 176.5227 128 A 4.4346 9.1429 125.0710 52.3234 19.0507 176.6594 129 Q 4.8665 8.6202 118.6133 54.2467 31.9469 175.3272 130 Q 4.7512 8.4862 119.8801 53.0914 31.4898 174.2263 131 P 3.6256 0.0000 0.0000 61.3405 31.9417 174.4474 132 P 4.0695 0.0000 0.0000 63.0214 31.7881 175.8890 133 Y 4.7666 8.0011 119.1353 57.7722 39.1421 174.0712 134 T 4.7930 9.0995 111.3302 59.3916 72.2558 173.3459 135 R 4.1898 8.3076 119.8348 56.0794 30.5938 177.9661 136 L 4.0156 8.6229 123.4125 58.0138 42.0598 179.0075 137 I 3.7355 7.8017 118.0938 64.1620 37.6185 177.2880 138 D 4.4289 8.0107 119.2293 57.1086 40.8768 178.6138 139 S 4.2695 8.0475 115.7261 61.5507 62.8179 176.3934 140 A 4.3083 7.9115 124.2486 54.5937 17.9202 179.0557 141 R 4.3075 7.7981 113.9460 57.3827 30.2066 177.2962 142 R 4.6800 7.6510 114.0186 55.2767 30.4152 175.4850 143 Q 4.1470 7.8211 117.5617 55.8673 29.2909 173.9490 144 P 4.6371 0.0000 0.0000 62.1463 32.8684 174.7322 145 E 4.9443 8.4115 117.9185 54.6647 33.4702 174.8665 146 E 4.7721 9.1750 122.4786 54.2868 32.7697 174.3707 147 K 5.0924 8.5627 123.8796 54.8501 35.0404 175.2282 148 R 4.6641 8.1471 119.9055 54.7404 35.1021 173.8253 149 Q 4.6313 8.0396 117.8375 54.7505 32.4517 175.3155 150 D 4.3941 8.0853 121.5257 55.8322 39.0918 173.2719 151 I 4.5706 7.9059 118.9025 59.1760 41.7128 174.7524 152 R 4.9874 8.2302 128.1267 55.1806 32.2039 175.3126 153 G 4.5265 8.3691 111.4646 45.9046 0.0000 171.4082 154 A 5.5838 7.9707 121.2611 50.4246 22.9976 175.7220 155 I 4.9683 9.1478 122.3828 59.7314 39.9036 175.3797 156 V 4.6523 8.5440 119.1029 59.7952 36.1753 175.6109 157 G 3.7894 7.3633 107.9033 46.7551 0.0000 171.8404 158 F 5.8066 8.6867 117.0683 56.0046 44.2309 173.5887 159 F 5.1386 9.8645 123.8910 56.8398 41.6488 174.2409 160 T 4.2330 7.4647 122.9520 60.5408 70.8208 172.5733 161 P 4.1806 0.0000 0.0000 62.1471 32.4138 176.5541 162 E 2.9934 8.5689 121.3522 59.3801 29.5980 179.1582 163 L 3.7900 7.7606 118.8210 57.5238 42.3303 177.4348 164 F 4.4227 8.1388 116.1614 57.1655 39.0600 175.0581 165 H 4.4626 8.0501 120.2090 56.9429 29.0476 174.0935 166 G 4.2153 8.9708 117.2359 46.5830 0.0000 176.4372 167 V 3.6230 8.1872 120.5214 64.4995 32.5096 174.7062 168 G 4.8384 8.2246 110.1889 44.3273 0.0000 171.3845 169 S 4.9462 8.4927 114.2493 55.9854 65.2710 174.4794 170 A 3.3266 8.0494 125.3722 53.4742 17.2503 178.2070 171 G 3.5020 7.7267 111.3472 44.6309 0.0000 172.1903 172 F 5.0165 8.2254 123.0163 57.2316 40.0649 174.3291 173 H 5.1067 9.6234 122.3939 54.6202 32.7447 171.9460 174 I 5.1746 8.5575 118.6776 59.5323 41.2340 173.9002 175 H 5.5238 9.4284 120.6312 54.1157 32.8457 172.3960 176 F 5.3464 9.2711 121.6684 56.6157 43.2150 173.7986 177 A 4.7608 7.1004 125.2889 50.3011 22.4392 175.5861 178 D 4.5307 8.2657 122.9208 52.8067 40.9317 177.3790 179 D 4.4100 9.0779 120.8467 57.9224 40.9773 178.8633 180 E 4.0147 8.0357 115.4020 56.8216 29.9053 176.4577 181 R 2.9820 7.7913 117.6283 56.9608 27.9786 176.2988 182 A 4.4664 8.1128 115.8007 51.4459 21.5402 176.0569 183 Y 4.7398 6.6574 116.2254 55.4268 41.8967 174.1208 184 G 3.9431 7.3864 113.6019 45.4672 0.0000 171.7975 185 G 3.6176 6.7526 104.4394 45.7425 0.0000 170.0187 186 H 4.7610 7.9005 121.3534 55.2269 30.8683 176.1323 187 V 4.1418 8.4839 127.3484 63.3249 31.1959 175.4619 188 L 4.6340 8.8321 127.9078 56.1272 43.3554 176.0694 189 D 4.8754 7.9449 114.4243 54.6340 43.6082 174.4463 190 F 4.8720 7.6150 115.7981 56.3459 41.2011 172.1926 191 E 4.8880 9.2716 120.6140 54.6264 32.6146 174.8693 192 V 3.9439 8.6839 120.9870 61.6466 32.8194 175.6046 193 D 4.5430 8.9305 124.2975 55.3451 42.3067 175.3952 194 D 4.8836 7.9595 119.9774 53.1340 44.7083 173.9997 195 V 4.7547 8.6877 118.3821 59.9821 37.2653 173.9911 196 V 4.5835 8.6311 120.9196 61.1698 34.5307 174.1436 197 V 4.6929 8.5973 127.7543 61.0486 33.7720 173.9262 198 E 5.3138 9.3798 127.3285 54.6828 32.6017 175.1193 199 I 5.3383 8.9194 124.1850 59.6932 41.7214 174.3918 200 Q 4.6005 8.8686 125.0094 53.6451 32.2454 173.2556 201 N 4.9989 8.6626 123.9073 52.1405 40.0829 174.4028 202 F 5.1097 8.6412 122.4562 56.5214 40.0364 175.4865 203 E 4.5719 9.0644 123.3162 57.2265 31.0268 176.1450 204 T 4.7772 7.9916 115.2416 61.4633 72.7958 172.6224 205 F 4.7458 8.8821 127.7327 56.4482 41.4264 174.2518 206 Q 4.1086 8.4775 129.2601 54.4796 30.2516 173.7439 207 Q 4.0527 7.9549 128.5416 54.6785 30.2597 173.9021 208 H 4.9133 8.5222 126.8098 54.3275 32.4231 172.8820 209 F 4.6939 8.4216 123.0792 54.6396 41.9183 174.6664 210 P 4.5873 0.0000 0.0000 61.7557 29.5656 177.2743 211 V 3.9047 7.7538 116.6617 64.4404 32.0796 176.9537 212 N 4.6397 8.0663 115.2565 53.3818 39.3466 174.7187 213 N 4.7183 8.0780 118.7003 52.3592 39.8626 174.8109 214 E 4.0071 8.8403 129.2341 59.6762 29.8275 178.7370 215 T 3.9011 7.9983 115.3700 66.4577 68.3935 176.2547 216 F 4.1404 8.8439 121.7267 61.2922 39.5860 176.7106 217 V 3.5658 7.6622 116.3813 66.1766 31.4110 177.7225 218 K 4.1192 7.9714 114.6533 56.5598 32.5981 177.4297 219 A 3.9680 7.2451 122.8164 51.9868 18.7396 177.5962 220 K 4.2288 8.1485 123.4495 54.5652 31.4116 174.8998 221 I 3.5966 7.8371 125.7798 60.4980 37.5729 175.2413 222 D 4.5560 8.2733 125.4196 53.2103 41.5664 175.0527 223 Y 4.5750 8.2659 123.4281 57.3427 38.3442 175.2758 224 K 3.9282 7.7504 122.3501 58.2410 32.5283 176.2200 225 D 5.3730 9.3664 123.2114 54.7663 38.8892 175.7918 226 V 3.6505 8.1873 122.2698 64.9485 30.6143 178.2369 227 A 3.9877 7.9522 120.7964 55.0632 18.1862 179.3465 228 E 4.0143 8.1081 116.6227 59.4873 29.6223 179.2637 229 E 4.0013 8.4355 118.8411 59.4373 29.5111 179.3710 230 I 3.8146 7.9371 119.8937 64.4823 36.9026 178.6650 231 R 4.0353 7.5447 116.8720 58.5972 29.9386 178.0873 232 E 4.1801 7.6558 118.4849 58.5483 29.8736 178.0561 233 A 4.1212 8.3507 120.4252 54.7362 18.6783 177.1429 234 E 4.2094 7.9572 120.0865 56.5638 29.7563 175.9964 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 3 N 8.28 5.00 0.00 2.82 3.13 0.00 0.00 6.40 6.79 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 4 V 8.12 4.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00 5 L 8.38 3.77 0.00 0.27 0.75 -0.16 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.33 4.67 0.00 2.89 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 7 Q 7.68 4.52 0.00 1.72 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 8 H 9.08 4.65 0.00 3.19 3.10 0.00 5.90 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 9 G 8.38 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.40 4.60 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 1.14 0.00 0.00 11 L 7.83 3.21 0.00 1.47 1.88 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.22 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 13 T 7.86 4.22 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 14 L 7.61 3.87 0.00 1.67 1.64 0.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *16 A 8.06 4.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.05 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.37 4.37 0.00 1.83 1.73 0.93 1.06 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 19 L 7.47 4.26 0.00 0.27 1.11 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.91 4.35 0.00 2.04 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 2.55 2.62 0.00 21 G 8.94 4.04 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 0.00 22 T 8.78 4.56 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 A 7.49 4.76 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 24 T 8.96 4.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 25 I 8.24 3.80 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 1.01 0.00 0.00 26 N 8.11 4.28 0.00 2.65 2.84 0.00 0.00 7.13 7.84 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 27 E 7.95 4.03 0.00 2.08 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 2.35 2.36 0.00 28 L 7.86 3.84 0.00 1.76 1.31 0.94 0.42 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 29 L 7.87 3.84 0.00 1.73 1.59 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.47 3.86 0.00 1.85 1.74 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 2.44 2.36 0.00 31 H 7.57 4.53 0.00 2.53 2.78 0.00 5.89 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 32 G 6.80 4.04 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 0.00 33 N 8.81 4.95 0.00 3.00 2.98 0.00 0.00 6.80 7.09 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 34 L 7.81 5.25 0.00 1.65 1.59 0.23 0.73 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 35 G 8.19 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 0.00 0.00 0.00 0.00 36 I 7.77 4.99 1.37 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.72 0.00 0.00 37 A 8.08 4.69 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.54 4.70 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 1.27 0.00 0.00 39 L 8.14 4.73 0.00 1.65 1.53 0.60 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.96 3.99 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 1.32 0.00 0.00 41 G 9.39 3.66 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 0.00 42 S 7.86 3.53 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.76 4.39 0.00 2.86 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 44 G 8.59 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.36 4.59 0.00 1.66 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.42 0.00 46 V 8.82 4.61 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 0.21 0.00 0.00 0.80 0.00 0.00 47 I 8.20 4.65 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.92 0.00 0.00 48 F 9.16 5.18 0.00 3.06 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 49 L 8.77 4.90 0.00 1.84 1.78 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 D 9.77 4.58 0.00 2.91 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 51 G 8.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.81 4.34 0.00 1.55 1.26 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.55 7.81 53 A 7.94 4.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.39 5.04 0.00 2.76 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.97 5.18 0.00 2.92 2.95 0.00 5.53 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 56 A 8.39 5.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.32 5.27 0.00 2.84 2.91 0.00 0.00 6.29 6.94 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 58 E 8.82 4.07 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.78 0.00 59 H 9.08 4.81 0.00 3.31 3.32 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.87 3.93 0.00 1.97 2.00 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.45 7.81 61 E 7.79 4.51 0.00 2.16 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 2.38 2.47 0.00 62 F 8.57 5.16 0.00 3.00 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 63 I 8.50 4.89 1.92 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 1.14 0.74 0.99 0.00 0.00 64 E 8.70 4.80 0.00 2.14 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 2.12 1.93 0.00 65 L 8.66 4.10 0.00 1.44 1.83 0.79 0.79 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 66 K 9.12 3.97 0.00 1.68 2.05 0.00 1.78 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.37 7.81 67 G 8.48 3.68 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 0.00 0.00 0.00 68 D 7.90 4.64 0.00 2.78 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 69 E 7.89 4.16 0.00 1.95 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 2.33 2.37 0.00 70 K 8.55 5.12 0.00 1.71 1.62 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 71 V 9.13 4.78 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 0.83 0.00 0.00 0.99 0.00 0.00 72 P 0.00 4.63 0.00 2.05 2.34 0.00 4.01 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 1.98 1.92 0.00 73 Y 7.81 5.27 0.00 2.95 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 74 A 8.69 4.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.98 4.86 0.00 3.68 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 76 I 8.77 5.30 1.68 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.48 0.86 0.00 0.00 77 T 8.81 4.77 4.46 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 1.88 0.00 0.00 78 N 8.85 4.95 0.00 2.75 2.80 0.00 0.00 6.48 8.13 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 79 F 9.12 4.31 0.00 3.05 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 80 K 7.97 4.07 0.00 1.60 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.33 7.81 81 A 7.68 3.67 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.96 4.61 0.00 3.82 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 83 K 7.59 4.78 0.00 1.88 1.75 0.00 1.88 0.00 0.00 2.01 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.60 7.81 84 T 8.28 5.29 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 1.21 0.00 0.00 85 F 8.19 4.87 0.00 3.12 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 86 P 0.00 5.14 0.00 2.13 2.12 0.00 3.94 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 87 L 8.48 4.83 0.00 1.63 1.59 1.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.46 4.79 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 89 Q 8.27 3.31 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 90 L 7.73 4.77 0.00 1.56 1.43 0.94 0.77 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 91 S 8.17 4.44 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.47 2.52 0.00 1.05 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.80 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 93 D 7.78 4.44 0.00 2.67 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 94 D 7.82 4.39 0.00 2.73 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 95 V 7.64 3.65 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 1.19 0.00 0.00 1.02 0.00 0.00 96 F 8.33 4.41 0.00 3.28 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.41 4.23 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 98 Q 7.97 3.92 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 99 I 7.76 3.99 2.21 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.88 1.23 0.00 0.00 100 K 8.55 4.05 0.00 1.94 1.88 0.00 1.28 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.94 1.79 7.81 101 N 7.68 4.52 0.00 2.78 2.80 0.00 0.00 7.02 8.57 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 0.00 102 E 7.92 4.15 0.00 1.97 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 2.02 1.47 0.00 *104 L 7.46 4.34 0.00 1.62 1.87 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.26 4.52 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.92 4.36 0.00 2.22 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 2.27 2.36 0.00 107 N 8.18 4.80 0.00 2.77 2.91 0.00 0.00 6.69 7.32 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 0.00 108 L 7.46 4.99 0.00 1.69 1.67 0.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.83 4.86 0.00 3.10 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 0.00 110 S 9.38 5.23 0.00 4.08 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 0.00 111 A 9.30 5.63 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.46 5.19 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 1.17 0.00 0.00 1.05 0.00 0.00 113 K 9.01 4.62 0.00 1.04 1.48 0.00 1.23 0.00 0.00 1.88 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.23 7.81 114 I 9.03 5.02 1.95 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 1.12 0.50 1.04 0.00 0.00 115 Y 10.07 5.11 0.00 3.11 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 6.38 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 0.00 0.00 0.00 117 T 7.79 4.90 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 118 F 9.06 4.96 0.00 2.80 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 0.00 119 K 9.14 4.21 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 120 H 7.82 5.33 0.00 3.17 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 H 8.55 5.02 0.00 3.21 3.35 0.00 5.68 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 0.00 123 V 8.84 5.11 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 0.68 0.00 0.00 0.87 0.00 0.00 124 R 8.63 5.58 0.00 2.02 2.07 0.00 3.21 0.00 0.00 3.45 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 *127 P 0.00 4.54 0.00 2.13 2.13 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 128 A 9.14 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 8.62 4.87 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 130 Q 8.49 4.75 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 131 P 0.00 3.63 0.00 1.82 1.10 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 132 P 0.00 4.07 0.00 2.15 2.02 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 133 Y 8.00 4.77 0.00 3.14 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 0.00 134 T 9.10 4.79 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 1.25 0.00 0.00 135 R 8.31 4.19 0.00 1.90 1.90 0.00 3.13 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 136 L 8.62 4.02 0.00 1.87 1.67 0.91 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 0.00 137 I 7.80 3.74 1.88 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 1.07 0.92 0.00 0.00 138 D 8.01 4.43 0.00 2.80 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 0.00 139 S 8.05 4.27 0.00 4.04 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 0.00 140 A 7.91 4.31 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 0.00 141 R 7.80 4.31 0.00 1.85 2.00 0.00 3.12 0.00 0.00 3.29 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 142 R 7.65 4.68 0.00 1.88 1.95 0.00 3.09 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 143 Q 7.82 4.15 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 144 P 0.00 4.64 0.00 2.26 2.22 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 145 E 8.41 4.94 0.00 1.99 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 2.28 2.32 0.00 146 E 9.18 4.77 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 147 K 8.56 5.09 0.00 1.62 1.66 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.37 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.14 1.33 7.81 148 R 8.15 4.66 0.00 1.27 1.45 0.00 2.89 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 149 Q 8.04 4.63 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 150 D 8.09 4.39 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.91 4.57 1.81 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 1.33 1.36 0.92 0.00 0.00 152 R 8.23 4.99 0.00 1.91 1.78 0.00 3.24 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 153 G 8.37 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.97 5.58 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 0.00 155 I 9.15 4.97 1.79 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 1.04 0.53 0.79 0.00 0.00 156 V 8.54 4.65 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 0.55 0.00 0.00 0.91 0.00 0.00 157 G 7.36 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 0.00 0.00 0.00 158 F 8.69 5.81 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 9.86 5.14 0.00 2.88 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 0.00 160 T 7.46 4.23 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 161 P 0.00 4.18 0.00 2.11 2.08 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.27 0.00 162 E 8.57 2.99 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 163 L 7.76 3.79 0.00 1.48 1.55 0.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.14 4.42 0.00 2.87 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 0.00 165 H 8.05 4.46 0.00 3.06 3.17 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.19 3.62 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 1.26 0.00 0.00 1.02 0.00 0.00 168 G 8.22 4.84 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 0.00 169 S 8.49 4.95 0.00 3.96 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 0.00 170 A 8.05 3.33 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 G 7.73 3.50 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 0.00 172 F 8.23 5.02 0.00 2.47 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 0.00 173 H 9.62 5.11 0.00 3.30 3.28 0.00 5.54 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 8.56 5.17 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 1.02 0.00 0.00 175 H 9.43 5.52 0.00 2.97 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 9.27 5.35 0.00 2.81 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 0.00 177 A 7.10 4.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 8.27 4.53 0.00 2.98 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 0.00 179 D 9.08 4.41 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 0.00 180 E 8.04 4.01 0.00 2.09 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 2.28 2.29 0.00 181 R 7.79 2.98 0.00 1.74 1.82 0.00 3.12 0.00 0.00 2.66 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 182 A 8.11 4.47 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 6.66 4.74 0.00 2.96 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 0.00 184 G 7.39 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 6.75 3.62 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 0.00 0.00 0.00 186 H 7.90 4.76 0.00 3.44 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 8.48 4.14 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 0.86 0.00 0.00 0.82 0.00 0.00 188 L 8.83 4.63 0.00 1.34 1.58 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 189 D 7.94 4.88 0.00 2.63 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 0.00 190 F 7.62 4.87 0.00 3.09 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 0.00 191 E 9.27 4.89 0.00 1.95 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 2.19 2.40 0.00 192 V 8.68 3.94 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 0.95 0.00 0.00 1.00 0.00 0.00 193 D 8.93 4.54 0.00 2.64 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 7.96 4.88 0.00 2.59 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 V 8.69 4.75 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 -0.12 0.00 0.00 0.86 0.00 0.00 196 V 8.63 4.58 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 0.92 0.00 0.00 0.95 0.00 0.00 197 V 8.60 4.69 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 198 E 9.38 5.31 0.00 2.14 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 2.28 2.29 0.00 199 I 8.92 5.34 2.01 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 1.07 0.00 0.00 200 Q 8.87 4.60 0.00 1.68 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 201 N 8.66 5.00 0.00 2.61 2.73 0.00 0.00 7.09 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 0.00 202 F 8.64 5.11 0.00 3.27 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 0.00 203 E 9.06 4.57 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 204 T 7.99 4.78 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 1.21 0.00 0.00 205 F 8.88 4.75 0.00 2.44 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 Q 8.48 4.11 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 207 Q 7.95 4.05 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.49 0.00 0.00 0.00 0.00 0.00 2.01 1.37 0.00 208 H 8.52 4.91 0.00 2.88 2.82 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 F 8.42 4.69 0.00 2.83 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 0.00 210 P 0.00 4.59 0.00 2.19 2.13 0.00 2.94 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.00 211 V 7.75 3.90 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 0.85 0.00 0.00 0.98 0.00 0.00 212 N 8.07 4.64 0.00 2.75 2.89 0.00 0.00 6.85 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 0.00 213 N 8.08 4.72 0.00 2.84 2.97 0.00 0.00 6.73 7.58 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 0.00 214 E 8.84 4.01 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 215 T 8.00 3.90 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 1.32 0.00 0.00 216 F 8.84 4.14 0.00 2.98 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 V 7.66 3.57 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.08 0.00 0.00 218 K 7.97 4.12 0.00 1.82 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.53 7.81 219 A 7.25 3.97 1.27 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 0.00 220 K 8.15 4.23 0.00 1.67 1.70 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.39 7.81 221 I 7.84 3.60 1.55 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 1.18 0.51 0.11 0.00 0.00 222 D 8.27 4.56 0.00 2.53 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 Y 8.27 4.58 0.00 3.07 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 0.00 224 K 7.75 3.93 0.00 1.81 1.92 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.45 7.81 225 D 9.37 5.37 0.00 2.93 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 0.00 226 V 8.19 3.65 2.32 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 0.92 0.00 0.00 1.08 0.00 0.00 227 A 7.95 3.99 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 0.00 228 E 8.11 4.01 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 229 E 8.44 4.00 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 230 I 7.94 3.81 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.89 0.00 0.00 231 R 7.54 4.04 0.00 1.98 2.00 0.00 3.24 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 232 E 7.66 4.18 0.00 1.93 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 0.00 2.31 2.33 0.00 233 A 8.35 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 E 7.96 4.21 0.00 2.13 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 2.14 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.