NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4002 8.1633 118.2861 55.2408 32.9996 173.9283 2 N 5.2991 8.3975 116.6341 51.5701 41.2893 172.5156 3 I 4.8010 9.6480 122.0260 59.7708 42.6518 173.1823 4 I 4.8590 8.3188 129.4643 59.4900 39.8915 174.3101 5 L 4.9097 9.1420 128.9997 53.1932 44.3405 175.1955 6 K 4.6674 9.1882 130.0804 55.4792 33.5796 175.5924 7 I 4.3008 8.5114 130.5536 59.7445 38.0420 175.8001 8 S 4.3744 8.9158 123.0641 58.5008 63.1369 175.7274 9 G 3.8816 8.9828 113.3174 48.5964 0.0000 175.8659 10 K 4.3716 8.4912 120.7405 58.8173 31.7080 178.4457 11 F 3.1614 7.5594 119.7678 60.8218 38.7403 176.4820 12 F 4.4843 8.3696 115.7887 58.5590 39.1941 177.6490 13 D 4.5438 8.2057 118.9442 56.9544 40.4261 178.1617 14 E 4.0068 8.1571 117.6535 56.9453 30.0300 176.1576 15 D 4.3174 7.3593 117.2437 55.2506 39.1532 173.1477 16 N 4.8649 7.5301 116.2156 51.4936 41.0567 175.1143 17 V 3.6311 8.5162 126.0061 65.1999 31.3353 177.9817 18 D 4.3573 8.3381 118.9756 57.2049 40.1457 178.0190 19 N 4.0102 7.5847 116.4977 56.6990 38.4923 177.1034 20 L 4.1852 7.7933 119.1417 58.1281 41.7804 179.4048 21 I 3.7360 7.5025 119.8941 64.5107 37.1519 178.6514 22 V 3.6916 8.0091 119.8090 64.9680 30.8906 178.1296 23 L 3.9127 7.8069 119.9674 58.1503 41.8385 178.6288 24 R 3.9715 8.2123 118.6665 60.2860 29.7203 177.6871 25 Q 4.1694 8.3105 118.4662 57.8548 28.5052 178.0250 26 S 4.0995 8.4605 114.8972 62.0290 62.8318 176.7954 27 I 4.0374 7.7839 123.0904 64.1163 36.9555 178.1595 28 K 3.8377 7.6840 118.7761 60.0244 31.7489 178.0896 29 E 3.9654 8.3767 118.3106 58.7823 29.0550 178.5711 30 L 3.8900 9.2013 119.3975 58.2404 41.9399 179.5065 31 A 4.4233 8.6446 122.2698 54.8879 18.0982 179.4689 32 D 4.6038 8.4412 111.9229 55.1814 40.6997 176.5773 33 N 5.0371 8.1943 116.9086 52.8842 39.8172 174.4574 34 G 4.0102 8.5774 103.0146 46.9881 0.0000 174.6869 35 F 5.5140 7.8033 116.9793 54.4171 43.1994 175.5330 36 R 4.6286 8.7656 122.5409 55.2509 31.7055 175.3689 37 V 5.1479 8.6159 122.3083 61.1965 34.6867 174.1245 38 G 4.6435 9.2863 114.9452 44.7043 0.0000 172.2022 39 I 5.1534 9.0331 124.2908 59.1762 40.9598 174.5331 40 V 4.7548 8.5957 126.5835 61.1809 34.0054 174.0412 41 T 4.9598 8.7327 118.8165 59.9240 71.0384 174.7282 42 G 3.8005 8.5544 112.8861 45.1939 0.0000 174.0806 43 G 3.6977 8.7170 108.3942 46.1206 0.0000 175.0916 44 G 4.1190 8.1080 108.8717 46.0004 0.0000 174.5640 45 S 4.2872 9.4651 113.6228 61.6436 63.0236 176.7028 46 T 3.9764 8.0719 118.8488 66.4834 68.2705 175.9129 47 A 4.0347 7.8559 122.2779 55.4207 18.5597 179.5620 48 R 3.9800 8.1019 117.0397 59.5950 30.0319 178.6638 49 R 3.8905 8.8277 118.7556 59.7346 30.1491 178.1976 50 Y 3.7553 8.2333 116.5145 61.1069 38.0168 178.4016 51 I 3.9667 8.4971 121.1625 64.2450 37.0863 178.6809 52 K 4.0298 8.0822 119.1465 59.0495 32.1556 179.0169 53 L 3.8686 8.0934 120.5604 58.1568 42.0462 178.8620 54 A 4.0678 8.5435 120.9348 55.3044 18.2661 179.5905 55 R 3.8853 7.9962 116.9098 59.4081 29.8799 178.0980 56 E 3.8784 8.1954 119.2915 58.9882 29.6411 177.3415 57 I 4.1869 7.3683 108.9311 60.5990 37.6549 176.0585 58 G 3.8991 8.3435 107.8666 46.4564 0.0000 174.3210 59 I 3.7933 7.6150 120.4662 60.6259 37.7224 177.2204 60 G 3.9816 8.7318 111.2248 44.7512 0.0000 174.0045 61 E 3.9952 8.8653 121.0309 59.1579 29.5707 179.1198 62 A 3.8750 7.8992 120.2582 55.4400 18.5136 179.1003 63 Y 4.1263 7.8192 114.5522 60.7210 38.0343 178.2910 64 L 4.1059 8.1352 120.3330 57.8431 41.6378 178.9234 65 D 4.3920 8.0789 118.7951 57.6214 40.8438 178.8878 66 L 3.9442 7.8482 119.1226 57.9984 41.5531 179.6966 67 L 4.3280 8.3381 118.8815 57.7508 41.4966 179.8106 68 G 3.6247 8.2138 105.6562 47.8238 0.0000 175.7604 69 I 3.5721 8.0233 122.8230 63.9202 37.0802 178.6158 70 W 4.2576 8.5894 119.8381 59.6413 28.7282 178.4124 71 A 3.9799 8.3974 121.2579 55.2566 17.9110 179.9056 72 S 4.1470 8.4282 112.9594 61.4416 62.9499 176.9501 73 R 3.7969 7.9621 121.9882 58.6903 29.8265 178.3385 74 L 4.1141 8.1845 120.3740 58.5106 41.9435 178.9422 75 N 3.9727 7.8218 115.8717 55.8604 38.2027 177.1934 76 A 3.8638 7.4042 123.4259 54.7388 18.3717 179.2996 77 Y 3.4692 8.1264 115.3967 60.7275 37.8094 178.4164 78 L 4.0193 7.7765 121.2319 58.2927 41.9907 179.1928 79 V 3.6990 7.7612 116.7408 66.2009 31.7867 177.1998 80 M 4.1928 8.2294 118.1829 58.9667 31.8878 178.2088 81 F 4.6958 8.5664 116.9286 60.5366 39.1406 177.2017 82 S 4.4883 8.0382 111.7411 59.4885 64.0592 174.9223 83 L 4.3940 8.0844 124.9770 59.6353 40.9127 177.4746 84 Q 3.3762 7.8289 119.2430 56.1740 30.9370 177.2218 85 D 4.7452 8.6842 130.7711 55.5651 41.2300 177.0185 86 L 4.0646 7.9712 120.9535 56.8048 41.8753 176.9900 87 A 5.1632 7.6266 119.5612 50.1748 21.0647 175.4293 88 Y 4.3479 8.8740 122.6011 57.5620 39.6422 177.3450 89 M 4.4710 7.9955 130.2979 54.4373 30.7090 175.9932 90 H 4.6921 7.2963 116.3071 54.9952 33.4127 172.8481 91 V 4.1031 7.9262 126.9211 60.0018 30.7276 173.1940 92 P 4.4862 0.0000 0.0000 63.5905 31.1919 176.4053 93 Q 4.6298 8.9080 118.5769 55.6076 29.5283 175.1125 94 S 3.6574 7.0695 112.2236 55.5525 66.7083 174.8682 95 L 3.5311 7.1936 124.1724 58.3021 41.5282 178.9495 96 E 3.9065 7.9244 117.8745 59.7077 29.3325 179.1892 97 E 3.9925 8.0788 118.4287 59.0221 29.4017 179.0894 98 F 4.0355 8.2363 120.9034 61.5070 39.2903 177.0877 99 I 3.7399 7.8643 118.0617 64.4688 37.1554 178.0464 100 Q 3.9822 7.6702 119.9475 59.4284 28.8336 177.9212 101 D 3.8285 8.2462 120.1692 56.8335 40.7777 178.6259 102 W 3.8453 8.1660 129.0927 59.9874 30.3312 178.1264 103 S 4.0630 7.5206 114.7503 61.6940 62.0362 175.6533 104 H 4.3381 7.3705 116.6558 55.9312 27.9544 176.7178 105 G 3.8489 7.2303 108.2177 45.6800 0.0000 173.3202 106 K 4.4769 6.7909 118.1675 53.5816 35.1688 175.8011 107 V 4.0994 8.0739 119.6004 62.8080 32.7048 174.8942 108 V 4.8506 8.7825 126.2565 61.1803 34.3724 173.8582 109 V 4.8875 8.6115 127.6292 61.6550 33.0719 174.7102 110 T 4.6384 9.3256 123.8950 61.7224 72.3364 173.2001 111 G 4.0956 8.1500 112.2157 44.8205 0.0000 172.6314 112 G 3.6432 8.1412 112.8258 45.4817 0.0000 172.1814 113 F 5.1368 8.3571 113.7365 57.2980 40.3046 175.5259 114 Q 4.5104 7.6246 119.8484 53.2436 32.1252 172.5943 115 P 4.3932 0.0000 0.0000 63.7400 31.8578 177.0587 116 G 3.9517 9.9736 108.7597 45.5254 0.0000 172.8492 117 Q 4.4867 7.2474 116.4836 54.5711 32.0395 173.4034 118 S 4.7059 8.2680 111.2500 55.8653 66.0534 174.9661 119 T 3.6933 8.1288 110.1048 64.0680 67.9880 176.1563 120 A 3.7818 7.6211 123.6968 55.1953 18.4561 179.1926 121 A 3.8279 7.6553 118.7928 55.3468 18.4110 180.0002 122 V 3.1883 7.3815 115.7979 65.8942 31.5199 177.8665 123 A 3.7155 8.1012 120.6086 54.9177 18.0878 179.4326 124 A 3.7900 8.0859 119.4201 55.2376 18.4490 179.5325 125 L 3.8275 8.1154 117.8006 58.2685 41.8064 180.0988 126 V 3.0126 8.0163 117.8269 65.6172 31.2242 177.9739 127 A 3.8071 7.7132 121.9308 54.3752 18.3668 179.1955 128 E 3.7554 8.2892 117.8968 59.4850 29.5382 178.9852 129 A 4.0556 8.0906 120.0397 54.4098 18.7940 178.6794 130 S 4.2670 7.7518 110.9203 57.2642 63.2681 174.4953 131 S 3.6391 7.5564 116.3555 59.8908 60.7354 172.3811 132 S 4.7059 8.1941 115.4571 57.2803 63.6596 175.0478 133 K 4.3403 8.5559 123.4744 57.8546 33.3421 176.4984 134 T 5.1116 7.7790 116.6408 61.4437 72.8826 172.4856 135 L 4.8199 8.9803 128.0148 53.3297 44.8462 175.2200 136 V 4.3535 8.7956 128.3306 61.8753 33.0657 175.0523 137 V 4.5176 8.6946 129.7572 61.4586 32.3733 174.5342 138 A 4.7033 8.9586 131.7763 51.4890 19.5364 175.9163 139 T 5.1051 8.8542 117.5624 60.9092 70.5616 174.3854 140 N 3.5231 8.7489 118.5166 53.5210 38.1092 175.2421 141 V 4.0645 7.2697 119.5490 62.1635 33.3796 175.2878 142 D 4.7152 8.0861 119.5125 54.4897 42.3120 177.3578 143 G 4.0263 6.4707 108.8969 46.3608 0.0000 173.6633 144 V 4.0731 7.6461 123.7653 60.9097 33.6953 174.0925 145 Y 5.2518 7.6407 121.3604 56.2714 41.7963 175.9104 146 E 4.1273 8.8640 119.0903 57.6987 30.2985 177.0554 147 K 4.6317 7.5643 119.0966 54.7270 36.4217 175.6573 148 D 4.5823 8.6826 123.6604 52.5855 39.9181 174.3747 149 P 4.0140 0.0000 0.0000 62.3057 31.0981 175.4434 *153 A 3.9078 8.1589 125.5253 52.7944 19.5065 175.6468 154 D 4.6696 8.5944 117.1304 54.4863 41.0046 174.5291 155 V 3.6117 7.3751 117.0310 63.1973 31.8671 174.4253 156 K 4.4295 8.1089 123.5707 54.2328 34.2986 175.2351 157 L 4.7656 8.3632 124.4944 54.0544 41.7461 176.6504 158 I 4.0122 8.7489 129.0091 60.4156 36.2908 174.9436 159 P 4.4868 0.0000 0.0000 65.4635 32.5596 176.0785 160 H 5.3607 7.7367 114.4256 54.4178 32.8523 172.8394 161 L 4.9337 8.5202 122.3155 54.8822 44.5194 174.5385 162 T 5.2601 9.4983 108.2839 58.6064 71.7834 175.3491 163 T 3.8727 8.6055 112.6686 65.3753 68.3369 176.3763 164 Q 4.0162 8.0102 120.0776 58.4674 28.8153 178.1046 165 D 4.3211 7.9593 120.2892 57.2109 40.7826 178.3932 166 L 3.9389 8.2737 121.2277 58.6974 41.8454 178.4128 167 R 4.0442 8.1199 116.4424 59.6567 30.0296 178.4004 168 K 3.9877 7.9145 118.8024 60.1657 32.4978 178.8518 169 I 3.8263 8.0342 118.5435 65.7628 37.4712 177.1357 170 L 4.5171 8.5095 119.2184 53.1073 45.6890 176.5865 *177 Q 4.1094 8.3435 116.7976 55.7604 28.6009 172.8321 178 A 4.3080 7.8425 123.9961 54.3132 18.1385 175.8211 179 G 4.0028 9.5092 114.1344 46.8194 0.0000 173.4008 180 T 3.8419 7.7169 116.1575 63.1007 68.6814 173.7508 181 Y 4.5056 8.5402 125.9056 59.4641 40.4079 173.5434 182 E 4.9323 8.0623 119.0332 57.8353 33.0258 176.9689 183 L 4.1676 8.5552 120.1894 56.6779 42.7298 176.3814 184 L 4.6141 7.5531 117.3324 52.2226 44.4087 176.8995 185 D 5.6241 8.6341 125.7704 51.1155 42.1189 175.0808 186 P 4.1852 0.0000 0.0000 66.3001 30.8043 178.0005 187 L 3.8619 7.9474 119.7567 57.3836 41.9246 178.4876 188 A 3.9115 8.6854 121.0459 55.2743 18.2931 179.6549 189 I 3.5888 7.5608 117.9113 64.3980 37.2052 178.4199 190 K 3.8313 8.1697 120.5386 59.6531 31.9515 178.8622 191 I 3.6558 7.9263 119.9044 64.6151 37.1441 178.8602 192 V 3.6399 8.0572 113.5438 64.3149 31.2788 178.6428 193 E 3.8995 8.3916 118.7334 59.4481 29.2462 179.4774 194 R 3.9921 7.8415 114.7828 58.7003 29.3972 177.9504 195 S 4.5564 7.8106 112.7616 56.4075 64.5979 174.5263 196 K 3.7935 7.4477 119.6718 57.4325 29.5801 173.9887 197 I 4.6682 8.1892 119.0303 59.4144 39.4759 177.2010 198 R 4.4713 8.7413 123.9117 55.4328 31.5760 175.3268 199 V 4.7169 8.3751 121.9552 61.3379 34.0062 174.2616 200 I 4.6887 8.5958 129.3940 59.7305 38.9317 174.7460 201 V 4.5001 8.7188 129.3445 62.1821 32.8944 174.8986 202 M 5.3270 8.6462 123.9043 53.6580 35.6036 173.1337 203 N 5.3936 8.7659 117.0703 51.8651 40.1497 175.2215 204 Y 4.3205 8.5420 123.9969 59.1106 38.3111 178.3387 205 R 4.1465 8.6280 120.1723 58.6948 30.4714 177.4472 206 K 4.5323 8.2145 116.6200 56.0033 32.4810 177.9356 207 L 4.0695 7.8360 122.7622 58.0348 41.8090 179.3231 208 N 4.3193 8.3653 114.5656 55.8989 37.2211 176.0625 209 R 4.5272 8.2673 117.5722 56.1001 31.4195 178.6792 210 I 3.6563 7.6578 121.7571 64.3083 37.7687 177.1477 211 I 3.5666 7.5888 119.3083 64.2480 37.1904 177.8114 212 D 4.4360 7.9470 119.1867 57.4357 40.7580 178.1756 213 I 3.6541 7.6714 120.3092 64.9114 36.9735 178.1421 214 L 4.0094 7.8028 118.1770 57.0898 41.4040 178.7967 215 K 4.5188 7.8941 116.6688 56.7067 33.1942 176.9755 216 G 4.0502 8.3861 111.2047 46.1771 0.0000 174.5563 217 E 4.1294 7.7378 119.7762 54.3886 27.8186 175.0817 218 E 5.0717 7.6520 124.4213 54.8902 31.8749 176.6460 219 V 3.9299 7.9264 121.7790 62.5454 30.3102 174.7861 220 S 4.7399 8.0226 119.9118 57.4720 66.0106 173.8079 221 S 4.8507 8.8074 117.1125 56.9014 64.8974 173.2317 222 I 4.6828 8.2385 126.1778 59.7030 39.1504 174.8675 223 I 4.6649 8.9456 129.6496 60.2169 38.3507 174.9477 224 E 4.7979 8.8450 127.9634 54.5365 30.9880 174.4821 225 P 4.4797 0.0000 0.0000 62.9991 32.5875 176.8029 226 V 4.0034 7.7593 114.2264 62.0024 32.8045 174.4847 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 8.16 4.40 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 2 N 8.40 5.30 0.00 2.85 3.05 0.00 0.00 6.21 6.44 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 3 I 9.65 4.80 2.22 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 1.32 1.61 1.26 0.00 0.00 4 I 8.32 4.86 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.75 0.82 0.00 0.00 5 L 9.14 4.91 0.00 1.65 1.50 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.19 4.67 0.00 1.71 1.62 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.46 7.81 7 I 8.51 4.30 1.85 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.99 -0.02 0.00 0.00 8 S 8.92 4.37 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.98 3.88 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 0.00 0.00 0.00 10 K 8.49 4.37 0.00 2.14 2.11 0.00 2.18 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.70 1.60 7.81 11 F 7.56 3.16 0.00 2.02 2.40 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 12 F 8.37 4.48 0.00 3.23 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 13 D 8.21 4.54 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 14 E 8.16 4.01 0.00 1.76 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 15 D 7.36 4.32 0.00 2.77 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 16 N 7.53 4.86 0.00 2.70 2.50 0.00 0.00 6.79 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 17 V 8.52 3.63 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 0.92 0.00 0.00 0.94 0.00 0.00 18 D 8.34 4.36 0.00 2.80 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 19 N 7.58 4.01 0.00 2.46 1.51 0.00 0.00 7.06 6.50 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 20 L 7.79 4.19 0.00 1.88 1.81 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.50 3.74 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.21 0.94 0.00 0.00 22 V 8.01 3.69 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 1.01 0.00 0.00 0.99 0.00 0.00 23 L 7.81 3.91 0.00 1.94 2.04 0.84 0.64 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 24 R 8.21 3.97 0.00 1.98 2.19 0.00 3.28 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 25 Q 8.31 4.17 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 26 S 8.46 4.10 0.00 4.04 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.78 4.04 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.19 0.96 0.00 0.00 28 K 7.68 3.84 0.00 1.89 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 29 E 8.38 3.97 0.00 2.03 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 0.00 2.33 2.35 0.00 30 L 9.20 3.89 0.00 1.83 1.77 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.64 4.42 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 32 D 8.44 4.60 0.00 2.84 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 33 N 8.19 5.04 0.00 2.77 2.82 0.00 0.00 6.83 7.55 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 34 G 8.58 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 35 F 7.80 5.51 0.00 3.36 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 36 R 8.77 4.63 0.00 2.15 1.81 0.00 2.82 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 37 V 8.62 5.15 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 1.11 0.00 0.00 1.07 0.00 0.00 38 G 9.29 4.64 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 0.00 0.00 0.00 39 I 9.03 5.15 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.95 0.00 0.00 40 V 8.60 4.75 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 0.87 0.00 0.00 0.69 0.00 0.00 41 T 8.73 4.96 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 1.28 0.00 0.00 42 G 8.55 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.72 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 44 G 8.11 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 0.00 0.00 0.00 45 S 9.47 4.29 0.00 4.09 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 46 T 8.07 3.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 47 A 7.86 4.03 1.43 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 0.00 0.00 0.00 48 R 8.10 3.98 0.00 2.24 2.15 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 49 R 8.83 3.89 0.00 1.97 2.15 0.00 3.11 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 1.41 1.60 0.00 50 Y 8.23 3.76 0.00 3.36 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 51 I 8.50 3.97 2.09 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 1.76 1.53 1.02 0.00 0.00 52 K 8.08 4.03 0.00 1.98 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.68 7.81 53 L 8.09 3.87 0.00 1.68 1.73 0.87 1.13 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 54 A 8.54 4.07 1.48 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 55 R 8.00 3.89 0.00 2.09 2.15 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 E 8.20 3.88 0.00 2.27 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 2.33 2.27 0.00 57 I 7.37 4.19 1.87 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 1.39 0.77 0.91 0.00 0.00 58 G 8.34 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 59 I 7.62 3.79 2.00 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 1.49 0.90 1.04 0.00 0.00 60 G 8.73 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 0.00 0.00 0.00 61 E 8.87 4.00 0.00 2.12 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 2.39 2.46 0.00 62 A 7.90 3.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.82 4.13 0.00 3.24 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 64 L 8.14 4.11 0.00 1.90 1.79 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.08 4.39 0.00 2.88 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 66 L 7.85 3.94 0.00 2.04 1.93 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.34 4.33 0.00 2.03 1.87 1.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.21 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 69 I 8.02 3.57 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 1.39 1.07 0.54 0.00 0.00 70 W 8.59 4.26 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.40 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.43 4.15 0.00 4.13 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.96 3.80 0.00 2.25 2.10 0.00 2.23 0.00 0.00 2.77 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 74 L 8.18 4.11 0.00 1.80 1.87 0.95 0.50 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 75 N 7.82 3.97 0.00 2.43 1.48 0.00 0.00 6.93 8.65 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 76 A 7.40 3.86 1.09 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 0.00 0.00 77 Y 8.13 3.47 0.00 2.94 2.35 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 78 L 7.78 4.02 0.00 1.80 1.87 1.05 1.12 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 79 V 7.76 3.70 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.28 0.00 0.00 80 M 8.23 4.19 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 81 F 8.57 4.70 0.00 3.24 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 82 S 8.04 4.49 0.00 4.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.08 4.39 0.00 1.92 1.75 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.83 3.38 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 85 D 8.68 4.75 0.00 2.69 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 86 L 7.97 4.06 0.00 1.89 1.76 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.63 5.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.87 4.35 0.00 2.87 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 89 M 8.00 4.47 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 90 H 7.30 4.69 0.00 2.83 3.05 0.00 5.71 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 91 V 7.93 4.10 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 0.62 0.00 0.00 -0.10 0.00 0.00 92 P 0.00 4.49 0.00 2.44 2.35 0.00 4.02 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 93 Q 8.91 4.63 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 94 S 7.07 3.66 0.00 3.69 3.69 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 L 7.19 3.53 0.00 1.63 1.53 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.92 3.91 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 97 E 8.08 3.99 0.00 2.14 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 2.38 2.31 0.00 98 F 8.24 4.04 0.00 3.32 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.86 3.74 2.08 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 1.50 0.91 0.93 0.00 0.00 100 Q 7.67 3.98 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 101 D 8.25 3.83 0.00 2.80 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 0.00 102 W 8.17 3.85 0.00 2.66 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 0.00 103 S 7.52 4.06 0.00 3.77 3.81 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 0.00 104 H 7.37 4.34 0.00 2.80 3.07 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 0.00 105 G 7.23 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 0.00 106 K 6.79 4.48 0.00 1.63 1.99 0.00 1.84 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.33 7.81 107 V 8.07 4.10 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 1.15 0.00 0.00 1.03 0.00 0.00 108 V 8.78 4.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.13 0.00 0.00 109 V 8.61 4.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 110 T 9.33 4.64 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 1.17 0.00 0.00 111 G 8.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.14 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 0.00 0.00 0.00 113 F 8.36 5.14 0.00 3.07 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 0.00 114 Q 7.62 4.51 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 115 P 0.00 4.39 0.00 2.01 1.98 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 116 G 9.97 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 0.00 0.00 0.00 117 Q 7.25 4.49 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.18 0.00 118 S 8.27 4.71 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.13 3.69 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 1.07 0.00 0.00 120 A 7.62 3.78 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 0.00 121 A 7.66 3.83 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.38 3.19 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 -0.30 0.00 0.00 0.35 0.00 0.00 123 A 8.10 3.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.09 3.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.12 3.83 0.00 1.81 1.76 1.02 0.83 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 0.00 126 V 8.02 3.01 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 -0.14 0.00 0.00 0.08 0.00 0.00 127 A 7.71 3.81 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 0.00 128 E 8.29 3.76 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 129 A 8.09 4.06 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 0.00 130 S 7.75 4.27 0.00 3.26 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 0.00 131 S 7.56 3.64 0.00 4.10 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 0.00 132 S 8.19 4.71 0.00 3.82 3.77 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 0.00 133 K 8.56 4.34 0.00 1.71 1.84 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.45 7.81 134 T 7.78 5.11 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 135 L 8.98 4.82 0.00 1.64 1.45 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.80 4.35 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 0.66 0.00 0.00 0.93 0.00 0.00 137 V 8.69 4.52 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 0.85 0.00 0.00 0.88 0.00 0.00 138 A 8.96 4.70 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.85 5.11 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 1.26 0.00 0.00 140 N 8.75 3.52 0.00 2.71 2.97 0.00 0.00 5.87 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 0.00 141 V 7.27 4.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.00 0.00 0.00 142 D 8.09 4.72 0.00 2.74 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 0.00 143 G 6.47 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 0.00 144 V 7.65 4.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.80 0.00 0.00 145 Y 7.64 5.25 0.00 3.15 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 0.00 146 E 8.86 4.13 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 2.31 2.29 0.00 147 K 7.56 4.63 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.40 7.81 148 D 8.68 4.58 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.01 0.00 2.05 1.67 0.00 3.97 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 2.02 2.03 0.00 *153 A 8.16 3.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.59 4.67 0.00 2.80 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 0.00 155 V 7.38 3.61 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 156 K 8.11 4.43 0.00 1.73 1.69 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 157 L 8.36 4.77 0.00 2.18 1.75 0.95 1.08 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 0.00 158 I 8.75 4.01 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 0.92 0.00 0.00 159 P 0.00 4.49 0.00 2.22 2.35 0.00 3.71 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 160 H 7.74 5.36 0.00 2.99 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.52 4.93 0.00 1.83 1.74 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 162 T 9.50 5.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 163 T 8.61 3.87 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 1.19 0.00 0.00 164 Q 8.01 4.02 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 165 D 7.96 4.32 0.00 2.97 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 0.00 166 L 8.27 3.94 0.00 1.70 1.84 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.12 4.04 0.00 1.99 1.93 0.00 3.24 0.00 0.00 3.22 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 168 K 7.91 3.99 0.00 1.82 1.90 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 169 I 8.03 3.83 1.99 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 1.53 0.70 0.92 0.00 0.00 170 L 8.51 4.52 0.00 1.70 1.65 0.94 0.92 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 *177 Q 8.34 4.11 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 178 A 7.84 4.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 9.51 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.72 3.84 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 1.27 0.00 0.00 181 Y 8.54 4.51 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 0.00 182 E 8.06 4.93 0.00 2.05 2.03 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 2.18 2.10 0.00 183 L 8.56 4.17 0.00 1.58 1.64 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.55 4.61 0.00 1.59 1.49 0.88 0.98 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 0.00 185 D 8.63 5.62 0.00 2.87 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 0.00 186 P 0.00 4.19 0.00 2.26 2.35 0.00 3.68 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 2.06 2.03 0.00 187 L 7.95 3.86 0.00 1.75 1.67 0.90 0.96 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 0.00 188 A 8.69 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.56 3.59 1.98 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 1.38 0.72 0.89 0.00 0.00 190 K 8.17 3.83 0.00 1.79 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 191 I 7.93 3.66 1.95 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 1.73 0.91 0.88 0.00 0.00 192 V 8.06 3.64 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 0.72 0.00 0.00 1.00 0.00 0.00 193 E 8.39 3.90 0.00 2.22 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 2.31 2.38 0.00 194 R 7.84 3.99 0.00 1.96 2.14 0.00 3.02 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 195 S 7.81 4.56 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 K 7.45 3.79 0.00 1.82 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.37 7.81 197 I 8.19 4.67 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.90 0.00 0.00 198 R 8.74 4.47 0.00 2.01 2.03 0.00 2.72 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 199 V 8.38 4.72 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 0.96 0.00 0.00 0.89 0.00 0.00 200 I 8.60 4.69 1.85 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 1.08 0.57 0.88 0.00 0.00 201 V 8.72 4.50 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 0.87 0.00 0.00 0.86 0.00 0.00 202 M 8.65 5.33 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 203 N 8.77 5.39 0.00 2.72 2.65 0.00 0.00 7.44 7.56 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 0.00 204 Y 8.54 4.32 0.00 3.16 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 0.00 205 R 8.63 4.15 0.00 2.07 2.06 0.00 3.27 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 206 K 8.21 4.53 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.38 7.81 207 L 7.84 4.07 0.00 1.81 1.77 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 208 N 8.37 4.32 0.00 2.82 2.99 0.00 0.00 5.98 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 0.00 209 R 8.27 4.53 0.00 1.93 1.95 0.00 3.26 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 210 I 7.66 3.66 1.99 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 1.46 1.13 0.86 0.00 0.00 211 I 7.59 3.57 1.81 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 1.62 0.91 0.89 0.00 0.00 212 D 7.95 4.44 0.00 2.84 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 0.00 213 I 7.67 3.65 2.02 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 1.79 0.92 0.89 0.00 0.00 214 L 7.80 4.01 0.00 1.69 1.74 0.63 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 215 K 7.89 4.52 0.00 1.92 1.89 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.45 7.81 216 G 8.39 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 0.00 217 E 7.74 4.13 0.00 1.92 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 0.00 2.29 2.35 0.00 218 E 7.65 5.07 0.00 2.05 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 2.05 2.07 0.00 219 V 7.93 3.93 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 0.85 0.00 0.00 0.94 0.00 0.00 220 S 8.02 4.74 0.00 3.93 3.74 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 0.00 221 S 8.81 4.85 0.00 3.67 3.78 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 0.00 222 I 8.24 4.68 1.63 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 1.16 1.06 0.94 0.00 0.00 223 I 8.95 4.66 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.41 0.88 0.00 0.00 224 E 8.84 4.80 0.00 1.90 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 2.30 2.41 0.00 225 P 0.00 4.48 0.00 2.06 2.17 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 226 V 7.76 4.00 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 0.61 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.