NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4563 8.1927 115.4159 57.6054 64.7172 173.9385 3 L 3.3593 8.4337 121.1766 57.6423 41.5048 177.1660 4 R 3.4554 7.8282 118.5144 59.3831 30.4060 178.0294 5 S 4.0805 7.8414 113.5287 61.2465 63.0255 176.2219 6 D 4.2985 8.2379 122.6228 57.0144 40.5365 178.3387 7 L 3.8748 8.1325 121.0994 58.3586 42.1378 178.9763 8 I 3.6070 7.6275 119.5803 64.5035 36.9247 178.2618 9 N 4.3141 8.3201 117.0213 56.2330 38.3295 177.3313 10 A 3.9742 8.3969 122.6202 55.1372 18.1951 179.7696 11 L 4.0400 8.1942 119.4912 58.6299 41.7880 179.6228 *12 Y 4.2227 7.8278 122.0754 62.8129 36.9151 180.2048 13 D 4.7540 8.1945 124.6594 58.1409 40.3745 179.2522 14 E 4.1308 8.0188 119.3169 56.2309 30.3336 179.5603 *19 D 4.4984 8.3474 119.4895 52.4628 40.4373 175.6066 20 V 3.8625 7.9448 124.8642 62.2790 31.8710 175.6401 21 C 4.6532 8.4168 119.3355 56.8524 30.5811 173.0012 22 G 4.0742 7.2947 106.3196 46.6417 0.0000 172.2615 23 I 4.6923 8.0678 113.1983 59.1996 40.0668 174.7136 24 I 5.2157 8.2626 123.7411 59.3734 40.8594 175.0022 25 S 4.6691 8.9423 122.7815 56.7629 64.5384 175.1648 26 A 4.2857 8.4827 123.8683 54.9099 18.1654 178.4275 27 E 4.2003 8.1925 113.2451 56.6232 29.9629 177.2858 28 G 3.8865 8.7683 110.2381 45.9127 0.0000 174.0652 29 K 4.5840 7.8919 122.7443 54.0986 33.5655 179.6908 30 I 5.0915 8.8605 124.4487 59.2929 40.4118 174.1133 31 Y 4.9827 9.1161 124.4828 55.2961 40.3520 174.0479 32 P 4.9703 0.0000 0.0000 62.7742 32.6204 175.4881 33 L 4.4541 8.2367 119.8634 53.3520 42.8747 177.3132 34 G 3.8721 8.4091 113.6329 45.8068 0.0000 174.3633 35 S 4.3789 8.4593 117.3481 60.1479 63.0578 175.7830 36 D 4.6341 7.8998 120.5632 56.2276 41.4269 182.2447 37 T 4.4492 8.6308 121.1194 66.6859 68.6387 177.7431 38 K 3.9995 8.1228 125.5966 59.6130 31.6232 183.7010 39 V 3.7902 7.5685 118.2219 66.1121 31.6081 178.1584 40 L 3.4746 7.4740 119.0962 57.3901 41.2987 179.6073 41 S 4.2367 8.7694 114.7704 61.7236 62.8404 176.8649 42 T 3.8480 7.4467 118.2402 66.3449 68.1114 176.7791 43 I 3.5292 7.3923 121.6053 64.4941 37.1364 178.6335 44 F 4.1690 7.7518 121.1904 60.9133 38.5334 178.3453 45 E 4.1897 8.1130 117.7375 61.2328 29.3591 182.2334 46 L 4.3022 7.8645 119.1882 57.4112 41.7116 179.0536 47 F 4.2674 8.4325 120.2421 61.6144 39.6903 177.1905 48 S 4.2920 8.4826 114.6196 61.1070 62.5165 176.5585 49 R 3.8177 7.9049 120.7554 59.0872 29.8671 177.0602 50 P 4.1759 0.0000 0.0000 65.5212 31.3547 178.4715 51 I 3.5783 7.5703 118.0092 64.5435 37.0141 178.1760 52 I 3.5265 7.5351 120.1356 64.5247 36.9289 178.1137 53 N 4.2370 8.1852 117.8948 56.2883 38.7799 176.8259 54 K 3.8622 8.1591 121.2170 59.6353 32.2265 178.9566 55 I 3.7289 7.7973 119.8261 64.1530 36.9776 178.2035 56 A 4.1277 8.2907 124.2075 55.8661 18.2156 180.0347 57 E 4.0036 8.2551 119.1388 62.0675 29.5948 181.8675 58 K 4.1655 7.7797 123.2960 59.1609 31.6251 179.5657 59 H 5.1467 7.7213 113.0930 55.1909 29.1488 174.8613 60 G 3.7753 8.1431 108.3423 46.5342 0.0000 172.9952 61 Y 4.6860 7.9887 116.7834 55.8308 39.8583 175.9833 62 I 3.9418 8.3628 125.4434 61.0699 38.5682 174.9665 63 V 4.9392 8.2923 125.7433 61.3837 33.4254 174.6050 64 E 4.8878 9.3664 126.4475 54.7737 32.9874 175.2625 65 E 5.0983 8.7021 122.9179 53.5012 31.6949 174.2753 66 P 4.3673 0.0000 0.0000 63.2447 32.2323 177.7661 67 K 4.1181 8.6905 126.0260 57.6821 32.6491 177.8363 68 Q 4.3476 7.5433 118.4723 54.0277 28.7979 178.3789 69 Q 4.3810 8.6036 120.5110 56.7077 29.1978 176.0591 70 N 5.1327 7.8871 115.6024 52.8229 37.8077 173.7976 71 H 5.2116 7.7028 113.5743 55.4298 31.5257 173.8174 72 Y 4.6976 8.7513 124.4597 55.8782 40.8912 173.0621 73 P 4.2009 0.0000 0.0000 61.0925 33.2627 175.2631 74 D 4.2274 8.6338 119.2305 56.8931 41.6497 177.1381 75 F 5.0403 8.3314 116.6457 55.8858 42.8145 174.0441 76 T 5.1183 9.1013 120.7196 62.0104 70.6091 173.4501 77 L 5.4690 8.8213 127.2008 53.2351 44.6198 175.1852 78 Y 5.3077 8.5421 119.3897 56.0123 41.9231 174.1552 79 K 4.2475 8.4240 121.0966 55.5773 32.9182 176.6227 80 P 4.5605 0.0000 0.0000 64.7529 31.6046 177.9124 81 S 4.2450 8.0844 114.6160 60.6610 64.0247 174.8492 82 E 4.6814 7.7879 116.8713 53.6360 29.5861 178.8369 83 P 4.4368 0.0000 0.0000 64.0456 32.1928 178.0122 84 N 4.8887 7.9543 118.1475 52.8598 39.0979 180.1410 85 K 4.8024 7.6117 118.4528 55.0389 31.4844 179.2473 86 K 4.4799 8.1434 122.6850 56.1352 34.3515 177.8500 87 I 4.6964 8.6884 123.5286 59.3831 40.3269 174.3241 88 A 4.9964 8.2371 127.7004 50.1285 21.4785 175.3837 89 I 5.1185 8.6414 123.1077 59.5312 40.8764 174.2697 90 D 5.1941 9.0130 125.4387 52.6181 44.9146 173.8982 91 I 4.9681 9.1070 126.4411 60.1791 38.6008 175.3852 92 K 4.9816 9.1127 125.1536 55.2216 36.4299 175.4281 93 T 5.5067 8.6876 117.6844 63.0485 72.9471 172.6623 94 T 4.7149 8.6271 117.7304 61.6102 71.5663 171.1250 95 Y 4.6190 7.8251 120.6465 54.9015 41.3344 174.7484 96 T 4.5154 8.6385 111.4835 60.8070 71.8559 175.0619 97 N 4.6183 8.9626 119.4291 53.0630 39.0942 174.7442 *103 I 4.1009 7.3365 109.6864 61.5429 39.2502 174.6813 104 K 5.1704 8.0760 120.6905 55.8199 35.7096 174.9323 105 F 5.1143 9.6719 120.1939 55.9691 42.8649 174.1557 106 T 4.9565 8.6662 110.9604 60.1570 70.3893 174.3473 107 L 4.7522 8.9973 124.5894 54.7005 43.1654 177.0223 108 G 3.9861 8.5734 105.7284 44.5609 0.0000 174.2166 109 G 3.6984 8.1285 108.0512 45.5864 0.0000 173.3226 110 Y 4.3801 8.1111 118.9171 56.6400 38.4665 176.7974 111 T 4.6040 7.3620 109.0536 61.6339 70.9445 174.0449 112 S 4.7023 6.9115 118.0682 57.6502 61.7154 177.4270 113 F 4.4877 8.9056 114.4091 59.5593 37.1723 176.3157 114 I 2.9564 6.3860 113.3931 62.4625 37.6513 176.7434 115 R 4.1516 7.5365 118.3414 56.3648 31.2901 175.3221 116 N 4.7585 8.2738 116.0384 51.2599 40.3281 173.8585 117 N 4.3225 8.7164 126.1144 56.2922 39.1030 175.6803 118 T 4.5448 7.8358 106.1842 61.4077 69.1003 174.4944 119 K 4.1640 8.7287 126.2480 55.2974 31.8786 181.6242 120 N 4.1548 8.9256 122.7365 53.2538 36.0449 173.7491 121 I 5.0398 6.9374 112.4950 58.9627 41.5028 175.1082 122 V 3.7049 8.8511 127.2113 65.7431 31.5307 175.8226 123 Y 4.7843 7.5545 114.0393 54.8502 40.8119 173.7889 124 P 4.5900 0.0000 0.0000 63.2080 32.2849 177.3049 125 F 4.4309 9.7449 125.4701 61.4996 39.4376 177.0441 126 D 4.5668 8.3885 118.8337 55.9204 39.4499 177.3904 127 Q 3.9798 8.4067 118.8534 57.3414 29.0154 174.9445 128 Y 4.7558 7.5018 116.2862 56.4592 39.1022 175.4099 129 I 4.4080 8.4726 117.2800 61.2579 39.1017 175.2950 130 A 4.7207 7.4180 123.3795 51.2866 23.0060 175.2230 131 H 4.8640 8.8362 116.0379 54.2294 32.1516 172.3183 132 W 5.5108 9.3732 124.0454 55.2074 31.8499 175.4378 133 I 4.9666 8.8882 123.8594 59.6970 39.6899 174.5239 134 I 4.2949 8.7614 128.4868 59.5481 39.2622 174.7686 135 G 3.4393 7.0723 114.8375 44.0794 0.0000 171.3148 136 Y 4.9267 9.0131 122.3495 55.9210 41.2757 174.9068 137 V 4.9723 8.7214 123.0275 61.2078 34.4969 173.7910 138 Y 5.3155 8.1857 125.3377 55.5142 41.5925 174.4896 139 T 4.7969 8.9725 120.8873 62.8755 70.2746 175.3771 140 R 4.3975 8.8575 127.7186 58.4399 30.1622 172.6640 141 V 3.7002 8.3140 116.4487 62.2000 31.5164 178.5715 *147 S 4.3113 9.1810 116.4259 59.0278 63.7441 171.7430 148 L 4.8558 8.5001 126.4201 55.1867 42.6416 177.1320 149 K 4.6044 7.6368 118.2244 52.7786 35.0007 178.1674 150 T 4.6162 7.7983 109.3424 61.1961 70.9916 173.0563 151 Y 4.7828 8.9352 121.8894 57.0469 42.5501 174.7205 152 N 5.2261 9.0318 119.3648 50.1075 40.9334 175.7597 153 I 3.9334 7.7463 118.8348 62.5294 35.4465 176.9294 *155 E 4.3380 7.8682 117.1602 55.7919 31.8896 178.1912 156 L 3.8849 8.0859 121.6032 58.2284 41.6636 179.1208 157 N 4.4409 8.1682 115.8173 55.7186 38.6990 176.1173 158 E 4.3286 8.1140 113.3396 56.1238 30.4257 181.8042 159 I 3.4524 7.0347 119.2663 60.2616 37.5293 174.1885 160 P 4.1766 0.0000 0.0000 62.8005 31.4219 176.2103 161 K 4.0593 8.1866 122.0417 55.1080 33.2125 175.1889 162 P 4.7416 0.0000 0.0000 63.3699 32.4115 174.6316 163 Y 5.2231 6.9197 119.9416 56.3932 40.6415 175.9263 164 K 4.4034 9.3251 123.9172 56.6671 33.2827 177.8302 165 G 4.2313 7.7905 102.6532 46.1341 0.0000 172.7872 166 V 4.9891 8.4710 120.3754 60.8453 34.7041 174.6157 167 K 4.7181 9.0553 126.6065 54.4663 35.4600 175.4595 168 V 4.6809 8.1551 121.2240 60.0167 34.6932 174.3690 169 F 4.9847 7.8562 115.5560 55.3611 41.7537 172.6569 170 L 5.1344 8.3827 121.3645 53.6097 44.2301 175.0186 171 Q 4.5505 8.7081 125.1127 54.8413 33.2530 173.2142 172 D 5.0639 8.4441 123.0426 53.8743 41.7923 177.3298 173 K 3.8616 9.4639 125.7455 59.6399 32.2528 179.2435 174 W 3.0644 8.0257 116.1918 59.2801 27.9079 178.2113 175 V 2.8813 6.8690 119.0978 64.2729 30.7975 176.9401 176 I 4.0735 7.1309 109.9768 60.1097 38.4176 175.3559 177 A 4.4638 7.5415 124.7427 52.5499 18.8709 177.6920 178 G 4.2717 8.9234 112.4791 44.2824 0.0000 173.0074 179 D 4.6617 8.6353 117.5245 52.7649 40.3630 175.4041 180 L 5.1326 7.7392 120.0165 52.8519 44.6049 175.7466 181 A 4.3493 9.0417 124.2033 52.4334 18.6454 177.9546 182 G 4.0098 9.2819 108.5496 48.0530 0.0000 173.7316 183 S 4.5018 8.0385 113.1410 57.4894 66.0638 173.5194 184 G 3.9060 8.9346 108.5291 47.5983 0.0000 175.6710 185 N 4.5000 8.0151 120.2279 53.9963 37.9763 175.9627 186 T 4.2826 7.6740 108.3584 61.6396 69.7722 175.1341 187 T 3.2806 7.3197 109.4777 62.9360 67.9761 170.9667 188 N 5.1991 7.9312 122.2201 52.3655 41.5969 176.6727 189 I 3.0241 8.7242 123.5909 61.1720 38.3269 175.5056 190 G 4.4870 8.2454 113.7574 44.9520 0.0000 173.8338 191 S 5.2180 8.6516 118.0743 56.8063 65.1194 173.6742 192 I 3.7934 8.5762 114.0189 61.7170 37.9598 175.9145 193 H 5.0676 8.7667 124.1706 55.1121 29.8615 173.0395 194 A 4.6232 8.6646 126.3469 50.4689 23.1059 174.9354 195 H 4.5538 8.9965 115.6958 55.4641 29.8249 176.4193 196 Y 4.4045 9.1570 124.7228 61.8730 38.3623 179.3721 197 K 3.7096 8.2259 123.7708 60.1190 31.6167 180.4021 198 D 4.4373 7.9824 119.5764 56.9676 40.1713 179.0267 199 F 3.5865 7.7756 117.9451 60.1375 38.6831 177.5326 200 V 3.3694 6.9809 119.0435 66.7484 31.3707 178.3338 201 E 4.0356 8.1592 116.1625 58.2826 30.5049 177.8590 202 G 3.5256 7.3524 105.9578 47.4964 0.0000 176.6623 203 K 4.1744 7.7275 121.1758 52.8253 30.7516 178.4481 204 G 4.5299 7.5595 111.9104 43.5075 0.0000 170.4403 205 I 4.2243 8.0075 109.9958 60.8061 39.4744 175.9055 206 F 4.8439 7.9976 118.9561 56.9792 39.8079 175.3245 207 D 4.7084 9.7062 124.1464 57.0279 41.2822 176.9581 208 S 3.9430 7.6019 112.2487 55.9678 67.2067 174.2536 209 E 3.5398 7.2754 120.7724 58.7202 29.1677 177.8265 210 D 4.2987 7.7231 118.0048 57.2110 41.2618 177.7033 211 E 4.0380 8.1971 119.8621 59.1070 29.6937 178.2326 212 F 2.3000 7.7400 120.2517 60.9446 39.2444 177.2317 213 L 3.4801 7.8739 118.2489 57.5737 41.2039 179.0093 214 D 4.3062 7.9240 116.8734 57.3539 40.9782 177.0840 215 Y 3.3908 7.7745 120.2880 60.5923 38.7626 178.5102 216 W 4.1303 7.7904 119.1271 59.2266 28.9098 178.6033 217 R 4.1867 8.1200 117.1234 57.8230 29.5745 176.8025 218 N 4.9133 7.5420 113.1203 52.4937 40.0327 173.8104 219 Y 3.3024 7.2348 120.0981 57.1018 39.2173 175.2142 220 E 4.2093 7.2024 126.3847 55.4519 30.7099 177.0176 221 R 4.3499 8.8651 121.0076 58.1372 30.6447 177.4112 222 T 4.6638 7.3248 106.7582 59.5422 72.7961 175.1600 223 S 4.1031 8.5394 119.3473 62.1030 62.5203 177.4187 224 Q 3.9845 7.9725 122.3434 60.3484 28.1925 181.4667 225 L 4.2381 7.3518 120.1626 57.6897 41.7022 179.8951 226 R 3.6008 7.9593 120.3235 59.7112 29.6432 179.4731 227 N 4.4462 8.4369 121.0951 57.1691 37.6253 179.8617 228 D 5.0256 7.5302 118.2286 55.4798 40.3925 180.9309 229 K 4.5666 8.0341 117.1938 56.8860 34.1497 175.4088 230 Y 4.8933 6.9157 113.3274 56.3527 40.8626 174.6544 231 N 4.8372 9.2627 118.6115 53.4464 40.6818 173.7649 232 N 5.0982 7.6869 113.5626 51.4528 40.1892 174.9282 233 I 3.7900 8.8341 117.5994 64.3106 37.7634 177.8861 234 S 4.1690 8.1600 115.6029 61.8728 62.7192 176.4889 235 E 4.1310 9.0650 121.5434 59.3551 29.1720 178.8430 236 Y 3.6789 8.1791 119.8123 60.6925 38.8427 178.1826 237 R 3.7536 8.3480 119.1084 59.2558 30.1461 178.6117 238 N 4.4490 8.3510 116.9743 56.3054 38.8997 176.8264 239 W 4.1955 8.4690 130.0238 60.2529 30.6524 178.1647 240 I 3.2393 7.7604 119.9150 64.3139 36.3337 177.4526 241 Y 4.0723 7.5890 118.8855 60.9822 38.6857 178.3073 242 R 3.6942 7.6918 116.3787 57.1315 30.0702 177.3883 243 G 3.5452 7.3213 107.1908 45.2593 0.0000 173.8075 244 R 2.0000 7.0259 117.0630 55.8236 27.9331 177.4003 245 K 4.1695 6.9803 121.8884 55.1677 32.4586 177.5768 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.46 0.00 4.04 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 3 L 8.43 3.36 0.00 1.67 1.72 0.75 -0.22 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 4 R 7.83 3.46 0.00 1.45 1.70 0.00 2.73 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.00 5 S 7.84 4.08 0.00 4.05 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 6 D 8.24 4.30 0.00 3.05 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 7 L 8.13 3.87 0.00 1.79 1.72 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.63 3.61 1.76 0.00 0.00 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 1.36 0.54 0.85 0.00 0.00 9 N 8.32 4.31 0.00 2.86 2.85 0.00 0.00 6.91 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 10 A 8.40 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.19 4.04 0.00 1.69 1.70 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *12 Y 7.83 4.22 0.00 2.43 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 13 D 8.19 4.75 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.02 4.13 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 *19 D 8.35 4.50 0.00 2.72 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 20 V 7.94 3.86 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 0.91 0.00 0.00 0.94 0.00 0.00 21 C 8.42 4.65 0.00 2.91 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 22 G 7.29 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.07 4.69 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.89 0.00 0.00 24 I 8.26 5.22 1.92 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 1.44 1.19 0.94 0.00 0.00 25 S 8.94 4.67 0.00 4.24 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 26 A 8.48 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.19 4.20 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 28 G 8.77 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 0.00 0.00 0.00 29 K 7.89 4.58 0.00 1.49 1.69 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.28 7.81 30 I 8.86 5.09 1.94 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 1.27 0.67 0.98 0.00 0.00 31 Y 9.12 4.98 0.00 2.89 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 32 P 0.00 4.97 0.00 2.09 2.07 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 33 L 8.24 4.45 0.00 1.59 1.56 0.92 0.83 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 34 G 8.41 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.46 4.38 0.00 3.64 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 36 D 7.90 4.63 0.00 2.67 2.59 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 37 T 8.63 4.45 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 1.50 0.00 0.00 38 K 8.12 4.00 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.07 7.81 39 V 7.57 3.79 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 0.98 0.00 0.00 0.89 0.00 0.00 40 L 7.47 3.47 0.00 1.31 1.04 0.16 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.77 4.24 0.00 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.45 3.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 43 I 7.39 3.53 1.54 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.41 nan 0.00 0.00 44 F 7.75 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.40 0.41 0.00 0.00 53 N 8.19 4.24 0.00 2.86 2.77 0.00 0.00 6.92 6.75 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 54 K 8.16 3.86 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 55 I 7.80 3.73 1.85 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 1.69 0.74 0.98 0.00 0.00 56 A 8.29 4.13 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 57 E 8.26 4.00 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 58 K 7.78 4.17 0.00 1.88 1.78 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.37 7.81 59 H 7.72 5.15 0.00 3.34 3.64 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.14 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 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0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 116 N 8.27 4.76 0.00 2.60 2.64 0.00 0.00 6.64 6.27 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 0.00 117 N 8.72 4.32 0.00 2.93 2.94 0.00 0.00 6.63 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.84 4.54 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 119 K 8.73 4.16 0.00 1.68 1.75 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.28 7.81 120 N 8.93 4.15 0.00 3.13 3.16 0.00 0.00 6.47 7.29 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 0.00 121 I 6.94 5.04 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 1.12 0.00 0.00 122 V 8.85 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 0.71 0.00 0.00 0.98 0.00 0.00 123 Y 7.55 4.78 0.00 2.90 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 0.00 124 P 0.00 4.59 0.00 2.38 2.13 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 125 F 9.74 4.43 0.00 3.26 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.39 4.57 0.00 2.91 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 0.00 127 Q 8.41 3.98 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 128 Y 7.50 4.76 0.00 2.82 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 0.00 129 I 8.47 4.41 1.87 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 1.19 0.54 0.90 0.00 0.00 130 A 7.42 4.72 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 0.00 131 H 8.84 4.86 0.00 3.19 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.37 5.51 0.00 3.20 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 0.00 133 I 8.89 4.97 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.72 0.00 0.00 134 I 8.76 4.29 1.88 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 1.08 0.70 0.59 0.00 0.00 135 G 7.07 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 0.00 136 Y 9.01 4.93 0.00 2.71 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 0.00 137 V 8.72 4.97 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 0.90 0.00 0.00 1.11 0.00 0.00 138 Y 8.19 5.32 0.00 3.07 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 0.00 139 T 8.97 4.80 4.34 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 1.34 0.00 0.00 140 R 8.86 4.40 0.00 1.58 1.72 0.00 3.27 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 141 V 8.31 3.70 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 0.78 0.00 0.00 0.98 0.00 0.00 *147 S 9.18 4.31 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.50 4.86 0.00 1.62 1.61 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.64 4.60 0.00 1.75 1.53 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.20 7.81 150 T 7.80 4.62 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 0.63 0.00 0.00 151 Y 8.94 4.78 0.00 2.86 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 0.00 152 N 9.03 5.23 0.00 2.47 2.56 0.00 0.00 7.03 8.19 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 0.00 153 I 7.75 3.93 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 1.43 1.03 0.92 0.00 0.00 *155 E 7.87 4.34 0.00 2.36 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 0.00 2.36 2.39 0.00 156 L 8.09 3.88 0.00 1.68 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.17 4.44 0.00 2.70 2.85 0.00 0.00 6.73 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 0.00 158 E 8.11 4.33 0.00 1.95 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 0.00 2.21 2.14 0.00 159 I 7.03 3.45 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.52 0.52 0.00 0.00 160 P 0.00 4.18 0.00 2.10 2.02 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 161 K 8.19 4.06 0.00 1.39 0.90 0.00 1.38 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.18 7.81 162 P 0.00 4.74 0.00 2.10 2.21 0.00 3.34 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.92 0.00 163 Y 6.92 5.22 0.00 3.23 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 0.00 164 K 9.33 4.40 0.00 1.51 1.75 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.25 7.81 165 G 7.79 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 0.00 166 V 8.47 4.99 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 0.44 0.00 0.00 0.66 0.00 0.00 167 K 9.06 4.72 0.00 1.13 0.74 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.71 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.86 1.03 7.81 168 V 8.16 4.68 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 0.62 0.00 0.00 -0.12 0.00 0.00 169 F 7.86 4.98 0.00 3.01 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 0.00 170 L 8.38 5.13 0.00 1.50 1.38 0.76 -0.13 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 0.00 171 Q 8.71 4.55 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 172 D 8.44 5.06 0.00 2.55 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 0.00 173 K 9.46 3.86 0.00 1.98 1.89 0.00 1.87 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.33 1.52 7.81 174 W 8.03 3.06 0.00 3.17 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 6.87 2.88 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.77 0.00 0.00 176 I 7.13 4.07 2.05 0.00 0.00 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 1.41 1.16 0.76 0.00 0.00 177 A 7.54 4.46 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.64 4.66 0.00 2.39 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 0.00 0.00 0.00 0.00 180 L 7.74 5.13 0.00 1.74 1.75 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 181 A 9.04 4.35 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 9.28 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 0.00 183 S 8.04 4.50 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 8.93 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 0.00 0.00 0.00 185 N 8.02 4.50 0.00 2.82 2.97 0.00 0.00 5.85 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 7.67 4.28 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 1.21 0.00 0.00 187 T 7.32 3.28 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 1.15 0.00 0.00 188 N 7.93 5.20 0.00 2.73 2.75 0.00 0.00 7.09 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 0.00 189 I 8.72 3.02 1.56 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 -0.30 0.31 0.35 0.00 0.00 190 G 8.25 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.65 5.22 0.00 4.47 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 0.00 192 I 8.58 3.79 1.65 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.12 0.87 0.00 0.00 193 H 8.77 5.07 0.00 3.14 3.28 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.66 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 9.00 4.55 0.00 3.38 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.16 4.40 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.23 3.71 0.00 1.80 1.82 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.12 7.81 198 D 7.98 4.44 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.78 3.59 0.00 2.42 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 6.98 3.37 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 0.63 0.00 0.00 0.30 0.00 0.00 201 E 8.16 4.04 0.00 2.08 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 2.26 2.19 0.00 202 G 7.35 3.53 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 0.00 203 K 7.73 4.17 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.24 7.81 204 G 7.56 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 0.00 205 I 8.01 4.22 1.54 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.20 0.74 0.00 0.00 206 F 8.00 4.84 0.00 3.50 3.36 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 0.00 207 D 9.71 4.71 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 7.60 3.94 0.00 3.73 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 0.00 209 E 7.28 3.54 0.00 1.16 1.47 0.00 0.00 0.00 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 2.46 0.00 210 D 7.72 4.30 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.20 4.04 0.00 2.24 2.24 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 2.60 2.71 0.00 212 F 7.74 2.30 0.00 2.64 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 L 7.87 3.48 0.00 1.78 1.64 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 214 D 7.92 4.31 0.00 2.84 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 0.00 215 Y 7.77 3.39 0.00 2.30 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 0.00 216 W 7.79 4.13 0.00 3.11 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 0.00 217 R 8.12 4.19 0.00 1.98 2.00 0.00 3.16 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 218 N 7.54 4.91 0.00 2.85 2.70 0.00 0.00 6.92 7.18 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 0.00 219 Y 7.23 3.30 0.00 2.42 2.38 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 0.00 220 E 7.20 4.21 0.00 1.49 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 1.80 1.95 0.00 221 R 8.87 4.35 0.00 1.83 2.06 0.00 3.23 0.00 0.00 2.37 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 222 T 7.32 4.66 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 223 S 8.54 4.10 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 Q 7.97 3.98 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 225 L 7.35 4.24 0.00 1.80 1.59 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 226 R 7.96 3.60 0.00 1.79 1.73 0.00 2.41 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.46 0.00 227 N 8.44 4.45 0.00 2.80 2.74 0.00 0.00 6.85 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 0.00 228 D 7.53 5.03 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 K 8.03 4.57 0.00 1.36 0.91 0.00 1.44 0.00 0.00 0.87 0.00 0.00 2.42 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.18 7.81 230 Y 6.92 4.89 0.00 3.03 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 0.00 231 N 9.26 4.84 0.00 2.89 2.91 0.00 0.00 6.76 7.87 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 0.00 232 N 7.69 5.10 0.00 3.09 2.99 0.00 0.00 6.38 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 I 8.83 3.79 1.57 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 1.22 1.38 0.81 0.00 0.00 234 S 8.16 4.17 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 E 9.06 4.13 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 236 Y 8.18 3.68 0.00 1.96 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 0.00 237 R 8.35 3.75 0.00 2.22 1.99 0.00 3.26 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 238 N 8.35 4.45 0.00 2.84 3.04 0.00 0.00 6.80 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 W 8.47 4.20 0.00 3.58 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 I 7.76 3.24 1.87 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.23 0.78 0.00 0.00 241 Y 7.59 4.07 0.00 2.90 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 0.00 242 R 7.69 3.69 0.00 1.82 1.82 0.00 3.24 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.03 0.00 243 G 7.32 3.55 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 0.00 0.00 0.00 244 R 7.03 2.00 0.00 1.47 1.12 0.00 2.97 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 245 K 6.98 4.17 0.00 1.73 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.