NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3511 8.3044 120.3461 55.3618 32.9504 174.3050 1 Q 4.1096 8.4228 127.9223 53.5119 30.4332 173.3667 2 D 4.3905 9.2309 125.9418 53.7329 42.5562 174.5916 3 P 4.2491 0.0000 0.0000 65.9827 31.2588 178.1935 4 Y 4.2756 7.9744 115.7387 59.5098 37.8244 178.4469 5 V 3.1560 6.7904 120.6026 65.7903 31.5917 177.7891 6 K 3.8961 7.3460 119.5725 59.6184 31.9376 178.5830 7 E 3.9953 8.1193 118.2232 59.2352 29.5222 178.9561 8 A 4.2052 8.2327 120.9630 55.0506 18.4881 179.5499 9 E 4.0136 8.3918 117.3513 59.3065 29.4553 179.0119 10 N 4.3810 8.1301 117.4799 56.6992 39.0669 177.0142 11 L 4.2408 8.1158 120.4528 57.6091 41.5893 179.6068 12 K 4.1232 8.1620 118.5566 59.3775 31.9978 179.4550 13 K 3.9985 8.0226 118.1782 59.6825 31.8201 178.4999 14 Y 3.9926 7.8122 118.2838 60.7131 38.7565 177.6159 15 F 4.2388 8.4195 114.7650 56.2898 39.3766 174.9763 16 N 4.1384 8.1614 116.7259 54.7479 37.6527 174.5635 17 A 4.5806 8.6475 117.3153 52.0715 18.7615 178.9334 18 G 4.0392 7.9556 104.5414 46.1356 0.0000 173.6904 19 H 4.5485 7.8293 120.6886 54.9480 30.9622 176.3520 20 S 4.1661 8.3146 120.7196 61.3344 62.1768 176.3915 21 D 4.4660 8.4320 122.6225 57.0014 40.3544 178.5360 22 V 3.6527 7.8982 118.9866 64.4718 31.2748 177.9766 23 A 4.0413 7.6951 120.8313 53.7687 18.4495 177.8797 24 D 4.1739 6.9893 115.9695 56.4816 41.6286 176.4023 25 N 4.0903 8.9694 120.1628 54.2253 35.1774 175.1760 26 G 3.8234 7.9169 107.4279 45.6079 0.0000 172.6476 27 T 4.6686 8.1295 109.2898 59.8306 71.7833 174.1447 28 L 3.7117 8.8080 122.6479 56.3935 42.1517 178.6534 29 F 5.0420 8.1126 116.2102 58.8449 40.2138 178.0038 30 L 4.1506 8.3221 117.3898 57.9006 41.8491 179.4237 31 G 3.7343 7.9873 104.9630 47.7388 0.0000 175.6868 32 I 3.8084 7.8427 121.9674 64.3698 36.8336 178.3488 33 L 4.1983 8.0718 119.5290 57.6628 41.1300 179.5838 34 K 3.9768 7.6213 118.5917 59.5927 32.2038 178.3112 35 N 4.1049 7.6441 115.4554 53.7746 38.2996 175.0069 36 W 4.9065 6.9933 119.0229 55.0513 30.2953 175.4909 37 K 4.4966 8.7167 122.8131 57.3137 33.9127 177.7610 38 E 4.2087 8.0772 118.1873 55.8783 31.3808 177.4205 39 E 4.0041 8.8580 122.7541 59.6235 29.4477 179.4855 40 S 4.2013 7.9979 114.7464 61.3026 62.6461 176.0609 41 D 4.1888 7.9970 121.3556 57.1027 40.6442 178.8011 42 R 4.1324 8.0530 118.6618 59.2749 30.0869 179.2589 43 K 4.2832 8.0950 118.3263 59.2918 31.5030 179.4914 44 I 3.9827 7.6145 113.5825 64.1259 37.5975 178.4248 45 M 4.0296 7.8527 119.1533 58.4770 31.8809 178.6960 46 Q 3.8689 8.6018 118.5494 58.9354 28.8097 178.9410 47 S 4.2384 8.2651 114.2777 61.6005 62.4548 176.3064 48 Q 4.0523 7.7707 120.4590 58.6641 28.4048 178.6635 49 I 3.1013 7.4620 120.8555 64.1129 37.1043 178.6025 50 V 3.2057 7.6161 119.6723 65.8280 31.1808 178.2487 51 S 4.3034 8.0122 113.6001 61.3295 62.8582 176.2405 52 F 3.9262 8.1492 124.3585 61.3136 39.0430 176.7889 53 Y 3.6914 7.8543 116.4439 60.8283 37.2039 178.3407 54 F 4.7444 8.4033 121.3590 61.1684 38.7743 178.5625 55 K 4.0585 8.0780 122.7696 59.4298 31.6489 180.9836 56 L 4.2992 7.5019 121.5187 58.2926 42.1712 179.2881 57 F 4.8074 8.2055 117.5359 60.5682 38.5425 177.8554 58 K 4.1728 7.8275 117.3783 59.3013 31.9526 178.6361 59 N 4.5044 7.9918 115.1478 54.8454 38.6948 175.5964 60 F 4.9956 8.1121 116.8989 56.4577 41.3759 176.1223 61 K 3.8522 8.5404 124.3908 59.4910 31.7963 177.7280 62 D 4.5417 7.9541 115.1397 54.0632 40.3757 176.1173 63 D 4.3653 8.4234 121.1134 55.9728 40.6440 177.1796 64 Q 3.2230 7.7946 119.1675 59.0859 29.7866 178.4125 65 S 4.5372 8.1251 116.0896 59.4359 63.9842 174.9332 66 I 4.4127 7.7475 113.5038 60.3533 38.5199 177.2444 67 Q 4.3037 7.8195 122.4077 58.7996 28.4472 178.5716 68 K 3.9332 7.9120 120.0847 59.4789 32.3289 178.8555 69 S 4.2496 7.8528 116.2852 61.0928 62.7898 176.6344 70 V 3.1523 7.6735 120.8316 65.7261 31.2793 177.6471 71 E 3.8160 7.9280 118.5741 59.6133 29.5011 178.9441 72 T 3.8740 7.9363 115.7329 66.7298 68.5176 176.8143 73 I 3.7378 7.7260 121.7053 64.2771 37.1075 178.6875 74 K 4.2069 8.1050 119.5525 59.4199 31.8175 179.0629 75 E 4.0181 8.1668 119.5461 59.1169 29.4699 178.3206 76 D 4.3850 8.2199 118.3206 57.3613 41.2410 178.1454 77 M 4.0119 8.2437 119.5149 58.1312 31.9339 178.3010 78 N 4.6644 8.3244 116.7701 56.4868 38.6746 177.4451 79 V 3.6794 7.6962 120.6440 65.5335 31.4717 178.2168 80 K 3.9467 8.0790 116.9784 59.2057 32.0198 178.5018 81 F 4.2970 8.4518 119.2719 59.2168 40.0556 176.7017 82 F 4.5398 7.7868 114.3918 55.8193 39.2965 175.1117 83 N 4.3946 8.6927 114.8063 53.6586 37.4647 173.7697 84 S 3.7104 8.1042 108.2329 59.1158 61.3128 171.5211 85 N 4.7507 8.0968 119.8880 52.3968 38.9387 174.9016 86 K 3.9178 8.5345 130.1908 59.3904 32.4701 178.3924 87 K 4.0507 8.2018 119.6042 59.2173 32.2702 178.6306 88 K 3.5207 8.5136 120.1823 59.2178 32.0498 178.8157 89 R 2.5747 7.5437 118.8775 59.1848 29.9466 178.2752 90 D 4.7816 8.1166 120.1203 56.9826 40.7929 178.5547 91 D 4.4493 8.3606 119.5373 57.1696 40.8677 178.5646 92 F 4.1344 8.2232 121.3859 61.2119 39.3404 176.9337 93 E 4.0870 8.4489 118.7109 58.6988 29.0439 178.7956 94 K 3.6349 7.6512 119.5370 59.3109 32.6823 178.3456 95 L 3.5679 7.5474 119.1408 57.7576 41.1096 179.6373 96 T 3.9352 7.7568 109.3601 63.8768 68.4634 175.3670 97 N 4.8519 7.2429 117.1039 52.2340 39.1497 174.4345 98 Y 4.5512 6.8955 118.6705 57.7233 38.6735 175.1393 99 S 4.5315 8.7978 119.2659 57.5924 62.8087 174.5868 100 V 3.9168 8.4666 120.2767 62.2826 31.2070 176.6229 101 T 4.4511 7.6350 109.1463 61.3192 69.9831 174.4010 102 D 4.5666 7.9128 123.5469 53.7556 41.9211 176.1592 103 L 4.9603 8.6970 129.3241 57.7275 41.6877 179.3249 104 N 4.4121 8.7450 116.3736 56.0520 38.4674 177.7095 105 V 3.4236 7.8646 119.3314 66.1157 31.8587 178.0443 106 Q 4.0490 8.3065 117.6927 58.6436 28.4093 179.0446 107 R 3.8642 7.9721 119.3493 59.2307 30.2476 178.8247 108 K 3.7571 7.9830 117.9600 59.7002 31.8295 179.1957 109 A 3.8663 7.6305 119.5039 55.1967 18.5791 179.4713 110 I 3.9767 7.6553 117.8018 64.1752 36.9127 178.3790 111 D 4.4933 8.1943 119.7868 57.3661 41.0388 178.0305 112 E 4.2965 8.2775 116.9524 56.8979 29.7944 178.1964 113 L 3.9687 7.6303 120.6342 58.4932 41.9688 178.9984 114 I 3.7892 7.8050 118.7770 64.6558 37.1939 178.2777 115 Q 4.0250 8.1100 118.3704 58.8737 28.4302 178.9092 116 V 3.6269 8.0557 119.3418 66.4317 31.5270 178.0898 117 M 3.9946 7.9832 117.7425 57.9462 31.5502 178.6853 118 A 3.8970 7.6367 120.8206 55.3219 18.4671 179.5690 119 E 3.9569 8.0893 115.1566 58.8147 29.5691 178.6145 120 L 4.4600 7.4193 116.9513 54.3934 42.0432 177.2386 121 G 3.7938 8.2174 107.4575 45.5497 0.0000 173.2025 122 A 4.4097 7.8461 121.7433 50.5244 20.1297 178.1433 123 N 4.7138 8.1966 119.0389 51.1884 38.6159 175.2553 124 V 3.3974 7.7316 116.7001 61.0448 32.3687 176.8480 *201 S 4.4431 8.3419 117.7250 58.1166 65.2130 175.2752 202 G 3.6202 8.3957 108.3838 47.6671 0.0000 175.4452 203 E 3.8985 8.2032 121.1346 59.2027 29.7613 178.1745 204 F 3.8292 9.1045 121.6823 61.6831 39.1273 177.3723 205 V 3.7939 7.6191 116.0989 65.9550 31.5442 177.9388 206 K 4.1355 7.9528 118.0519 59.5395 31.8880 179.1075 207 E 3.8673 8.0849 118.6156 59.4711 29.3112 179.4027 208 A 3.9205 7.8201 120.4996 54.8384 18.4792 179.3985 209 E 4.0630 8.2820 117.2820 58.9939 29.4966 178.4818 210 N 4.2585 8.1520 117.0580 56.9188 39.0145 176.4492 211 L 4.1558 7.7729 120.1732 58.0693 41.8413 179.9207 212 K 4.1999 8.2398 118.1409 59.1103 31.6497 179.6102 213 K 3.9777 7.7944 118.2170 59.6817 32.1929 178.0217 214 Y 4.0241 7.9680 118.4017 61.5740 38.7020 178.4989 215 F 4.1265 8.4857 117.8830 59.6768 39.6142 177.4480 216 N 4.2335 8.0776 114.5329 53.6949 36.3177 173.3262 *224 D 4.4060 8.3810 123.3446 55.5107 42.1330 174.7015 225 N 4.9701 8.4511 119.6611 52.8568 39.1823 175.7006 226 G 4.1209 7.8269 105.6453 44.1455 0.0000 173.0222 227 T 4.4581 8.2089 113.0502 59.7693 71.3068 174.4956 228 L 3.7946 9.4066 124.0886 57.1098 42.4181 177.8869 229 F 5.1136 8.2639 116.3664 58.4695 40.6301 177.9237 230 L 4.2062 8.2207 118.4552 57.7217 41.2418 179.5720 231 G 3.6409 7.9387 104.8503 47.6555 0.0000 175.6625 232 I 4.0256 7.8049 121.6582 64.3597 37.0834 178.3941 233 L 4.2534 7.8818 118.3773 57.4228 41.4738 179.2174 234 K 4.1759 7.6320 117.0970 58.5579 32.1538 178.5501 235 N 4.1712 7.8388 116.0873 53.3070 38.4796 174.9702 236 W 4.7984 7.3821 119.5508 54.7742 31.6605 175.0240 237 K 4.4626 8.7321 122.1050 57.3478 33.6126 177.5916 238 E 4.1979 8.0534 118.5098 55.8764 31.3278 177.3803 239 E 3.9864 8.7956 123.1137 59.6296 29.7942 179.5186 240 S 4.1307 7.9938 114.7974 61.5403 62.8215 176.1591 241 D 4.1915 7.9980 121.2123 57.2755 40.6224 178.8534 242 R 4.0355 8.1156 118.6499 59.3029 30.0876 179.3114 243 K 4.2532 8.2072 118.2402 59.3298 31.7031 179.5266 244 I 3.8344 7.6020 119.8432 64.6966 37.1387 178.3964 245 M 4.2191 7.8638 119.5647 58.4695 31.9289 178.8404 246 Q 3.8998 8.6526 118.5619 58.7713 28.8891 178.9041 247 S 4.1470 8.1846 114.3782 61.6500 62.3949 176.3406 248 Q 4.0193 7.6640 120.5793 58.6530 28.3397 178.7816 249 I 3.0682 7.3762 120.8939 63.9830 37.0317 178.5520 250 V 3.1528 7.2593 119.3722 65.7131 31.0028 178.2747 251 S 4.2210 7.9054 113.8396 61.1480 62.9244 176.3026 252 F 4.0363 7.9118 124.2630 61.2582 39.1239 176.7562 253 Y 3.9365 7.8321 116.3575 61.1677 37.5560 178.5852 254 F 4.7359 8.2553 118.5891 60.3340 39.0261 177.7000 255 K 3.9963 7.8193 119.5222 59.1316 31.8506 178.5865 256 L 3.9819 7.3905 119.5212 58.2595 42.3186 178.6853 257 F 4.8466 8.6127 118.2311 60.4516 38.5117 177.4538 258 K 3.9938 8.1079 119.2416 59.7060 31.8698 178.0447 259 N 4.5961 7.8969 112.6651 54.3806 38.4759 175.4625 260 F 4.7779 7.8583 116.6152 56.4864 41.6816 175.2063 261 K 3.9935 7.9760 123.3069 59.3334 32.3168 176.9187 262 D 4.9227 7.8377 115.5099 52.7687 40.5117 174.7740 263 D 4.8536 7.4105 119.0190 52.6562 42.8471 175.5969 264 Q 3.4757 8.0330 123.0886 59.3006 29.2211 179.0066 265 S 4.0960 7.8843 116.2840 62.3130 63.5871 176.1869 266 I 4.2172 7.3806 113.2911 60.3954 37.7835 177.6437 267 Q 3.9545 7.7942 122.7348 59.5620 28.3225 177.4212 268 K 4.0811 7.8634 120.0317 59.2131 32.6540 177.7263 269 S 4.3611 8.2131 116.9988 59.8764 62.5992 176.6747 270 V 3.0123 7.6669 120.6066 66.1387 31.6100 178.6068 271 E 3.8584 7.7011 117.2068 59.4573 28.7239 179.6184 272 T 3.8287 8.3071 116.1769 66.5867 68.5139 176.7778 273 I 3.4004 7.3086 121.0362 64.2138 37.1969 177.9834 274 K 4.0752 7.2664 120.3833 59.9991 31.9564 177.9906 275 E 4.0969 7.9514 118.9284 59.0545 29.6721 178.2768 276 D 4.5201 8.0362 118.4535 57.0305 40.9245 178.3349 277 M 4.1230 8.5197 119.1496 58.7732 32.3508 177.9752 278 N 4.7419 8.2882 116.1823 56.5011 38.9000 177.3996 279 V 3.6565 7.9550 119.6127 65.9028 31.4253 178.0544 280 K 3.8995 7.9848 118.6299 59.3980 31.9792 178.6221 281 F 3.8674 7.9030 119.7891 61.1359 38.9291 175.8000 282 F 4.3699 7.9611 116.9014 56.7019 39.0202 175.1491 283 N 3.7820 8.2148 118.2117 55.0047 38.0359 173.7217 284 S 3.6917 7.9360 106.0544 59.8002 61.0809 174.1587 285 N 4.9163 7.9055 116.5348 51.3235 41.6621 173.6120 286 K 4.0491 8.6563 128.6403 59.1123 32.2907 179.2963 287 K 4.0371 8.1904 119.7714 59.4183 32.2724 178.6798 288 K 3.8093 8.8573 120.3576 59.2896 32.0419 178.7596 289 R 2.5100 7.6479 118.9960 59.0380 29.9686 178.3274 290 D 4.4580 8.1223 118.6590 57.3360 40.8021 178.3628 291 D 4.4532 8.2278 119.4489 57.5102 41.0370 178.6615 292 F 4.1260 8.1486 121.0049 61.4907 39.1588 177.0378 293 E 4.6484 7.9439 118.5163 58.4150 29.5027 179.0550 294 K 3.8421 8.0089 118.7839 59.5585 31.9550 179.0694 295 L 3.5943 7.3323 117.8205 57.9462 41.8617 179.4632 296 T 4.0097 7.4392 108.3493 63.0440 68.7564 175.2544 297 N 4.9563 7.4393 119.2495 53.0690 39.5102 173.8641 298 Y 4.8274 7.7036 115.2896 56.4365 39.9146 174.9368 299 S 4.7600 8.5234 117.9977 56.9286 64.4395 174.8017 300 V 4.3275 8.5379 123.6881 63.9085 31.5262 176.6513 301 T 4.1367 7.5810 114.8465 66.9144 68.9796 175.8609 302 D 4.4461 8.0696 120.6126 54.3821 42.5657 176.8540 303 L 4.1411 8.6654 126.6038 58.1779 41.7372 179.4366 304 N 4.4099 8.5291 116.5076 56.0863 38.3497 177.7386 305 V 3.4089 7.6855 119.3874 65.9328 31.7479 177.7421 306 Q 3.9807 8.0866 119.1908 59.0655 28.7998 178.2152 307 R 3.9003 8.1235 119.8207 59.3454 30.1265 178.6306 308 K 3.8706 7.9934 118.1201 59.3436 31.7809 179.0933 309 A 3.9609 7.8403 120.1138 55.3718 18.2993 179.4999 310 I 3.9197 7.8038 118.2962 64.6619 36.8864 178.1099 311 H 4.1402 8.3314 118.5802 59.2616 30.0666 176.6395 312 E 4.2795 8.6142 118.8938 57.2394 29.3751 178.2648 313 L 3.8441 7.7011 121.5914 58.5290 41.9557 178.9052 314 I 3.9283 7.8201 118.7428 64.7716 36.8854 178.3781 315 Q 4.0876 8.0171 117.1713 58.6729 28.9014 178.4080 316 V 3.7491 7.9297 119.4650 66.3631 31.3498 178.0505 317 M 3.8558 8.2818 118.4763 58.1349 31.4755 178.2392 318 A 4.2944 7.7889 119.0436 53.6254 18.5699 177.7058 319 E 4.6162 7.6168 115.3360 55.8768 30.4470 176.8229 320 L 4.1254 7.5817 122.8023 57.2973 42.3882 177.6279 321 S 4.5658 7.7621 113.3936 57.1302 63.5136 171.9889 322 P 4.7649 0.0000 0.0000 62.1822 31.5636 176.7070 323 A 4.2593 8.2121 123.4400 52.3795 19.1805 177.6459 324 A 4.1391 8.1754 121.2624 52.9246 18.9950 176.6512 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 0 M 8.30 4.35 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 1 Q 8.42 4.11 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 2 D 9.23 4.39 0.00 2.66 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 0.00 0.00 0.00 3 P 0.00 4.25 0.00 2.22 2.10 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 4 Y 7.97 4.28 0.00 3.21 3.23 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 5 V 6.79 3.16 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 0.85 0.00 0.00 0.19 0.00 0.00 6 K 7.35 3.90 0.00 1.93 1.74 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 E 8.12 4.00 0.00 2.18 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 2.56 2.32 0.00 8 A 8.23 4.21 1.46 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 0.00 0.00 9 E 8.39 4.01 0.00 2.09 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 2.51 2.43 0.00 10 N 8.13 4.38 0.00 2.87 3.00 0.00 0.00 7.12 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 11 L 8.12 4.24 0.00 2.00 1.89 0.97 0.87 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 12 K 8.16 4.12 0.00 2.15 1.93 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 13 K 8.02 4.00 0.00 2.08 1.92 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.66 7.81 14 Y 7.81 3.99 0.00 3.05 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 15 F 8.42 4.24 0.00 3.10 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 16 N 8.16 4.14 0.00 2.95 2.84 0.00 0.00 7.01 8.31 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 17 A 8.65 4.58 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 18 G 7.96 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 19 H 7.83 4.55 0.00 3.44 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.31 4.17 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.43 4.47 0.00 2.77 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 22 V 7.90 3.65 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 0.71 0.00 0.00 0.90 0.00 0.00 23 A 7.70 4.04 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 24 D 6.99 4.17 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.97 4.09 0.00 2.85 2.93 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.13 4.67 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 1.19 0.00 0.00 28 L 8.81 3.71 0.00 0.38 0.13 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.11 5.04 0.00 3.16 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 30 L 8.32 4.15 0.00 1.65 1.78 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.99 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 32 I 7.84 3.81 2.19 0.00 0.00 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 1.78 1.51 1.18 0.00 0.00 33 L 8.07 4.20 0.00 1.94 1.80 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.62 3.98 0.00 1.94 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 35 N 7.64 4.10 0.00 2.18 1.42 0.00 0.00 6.95 8.99 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 36 W 6.99 4.91 0.00 3.39 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 37 K 8.72 4.50 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 38 E 8.08 4.21 0.00 2.04 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 2.49 2.36 0.00 39 E 8.86 4.00 0.00 2.08 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 2.37 2.46 0.00 40 S 8.00 4.20 0.00 3.85 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 41 D 8.00 4.19 0.00 2.91 2.47 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 0.00 0.00 0.00 42 R 8.05 4.13 0.00 2.10 2.05 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 43 K 8.10 4.28 0.00 1.81 1.87 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.52 1.55 7.81 44 I 7.61 3.98 2.14 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.85 0.00 0.00 45 M 7.85 4.03 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.84 0.00 46 Q 8.60 3.87 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 47 S 8.27 4.24 0.00 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.77 4.05 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.02 0.00 49 I 7.46 3.10 1.65 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 0.58 0.37 0.13 0.00 0.00 50 V 7.62 3.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 -0.36 0.00 0.00 51 S 8.01 4.30 0.00 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.15 3.93 0.00 3.25 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 53 Y 7.85 3.69 0.00 2.91 2.37 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 54 F 8.40 4.74 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.08 4.06 0.00 1.86 1.72 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 56 L 7.50 4.30 0.00 1.47 1.66 1.13 0.94 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 57 F 8.21 4.81 0.00 3.23 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 58 K 7.83 4.17 0.00 2.05 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.53 7.81 59 N 7.99 4.50 0.00 2.63 2.42 0.00 0.00 6.80 8.29 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 60 F 8.11 5.00 0.00 3.25 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 61 K 8.54 3.85 0.00 2.00 1.88 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.47 7.81 62 D 7.95 4.54 0.00 2.83 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 63 D 8.42 4.37 0.00 2.96 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 64 Q 7.79 3.22 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 65 S 8.13 4.54 0.00 4.00 4.02 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 0.00 0.00 0.00 66 I 7.75 4.41 1.66 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.69 0.43 0.00 0.00 67 Q 7.82 4.30 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 68 K 7.91 3.93 0.00 1.76 1.77 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 69 S 7.85 4.25 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.67 3.15 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 0.75 0.00 0.00 0.88 0.00 0.00 71 E 7.93 3.82 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 72 T 7.94 3.87 4.38 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 1.24 0.00 0.00 73 I 7.73 3.74 1.59 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 1.58 1.00 0.89 0.00 0.00 74 K 8.11 4.21 0.00 1.73 1.83 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.72 1.41 7.81 75 E 8.17 4.02 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 76 D 8.22 4.38 0.00 3.01 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.24 4.01 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 78 N 8.32 4.66 0.00 3.12 2.96 0.00 0.00 6.63 7.73 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 79 V 7.70 3.68 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.03 0.00 0.00 80 K 8.08 3.95 0.00 1.71 1.82 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.60 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 81 F 8.45 4.30 0.00 2.55 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.79 4.54 0.00 3.23 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 83 N 8.69 4.39 0.00 2.76 2.85 0.00 0.00 7.36 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 84 S 8.10 3.71 0.00 4.13 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 85 N 8.10 4.75 0.00 2.87 2.81 0.00 0.00 6.88 5.38 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 86 K 8.53 3.92 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.48 7.81 87 K 8.20 4.05 0.00 1.98 2.22 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.88 1.62 7.81 88 K 8.51 3.52 0.00 1.65 1.74 0.00 1.61 0.00 0.00 1.27 0.00 0.00 2.50 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 0.21 7.81 89 R 7.54 2.57 0.00 1.44 1.81 0.00 2.63 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 90 D 8.12 4.78 0.00 2.95 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 91 D 8.36 4.45 0.00 2.98 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 92 F 8.22 4.13 0.00 3.26 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.45 4.09 0.00 2.27 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 0.00 2.48 2.16 0.00 94 K 7.65 3.63 0.00 1.99 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.45 7.81 95 L 7.55 3.57 0.00 1.66 1.55 0.91 0.88 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 96 T 7.76 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 97 N 7.24 4.85 0.00 2.66 2.86 0.00 0.00 7.03 8.73 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 98 Y 6.90 4.55 0.00 3.24 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 99 S 8.80 4.53 0.00 3.93 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 0.00 100 V 8.47 3.92 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 0.82 0.00 0.00 101 T 7.64 4.45 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 0.00 102 D 7.91 4.57 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 103 L 8.70 4.96 0.00 1.80 1.85 0.98 1.13 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 0.00 104 N 8.75 4.41 0.00 2.89 2.83 0.00 0.00 6.60 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 0.00 105 V 7.86 3.42 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 1.06 0.00 0.00 0.93 0.00 0.00 106 Q 8.31 4.05 0.00 2.32 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.78 0.00 107 R 7.97 3.86 0.00 2.03 2.00 0.00 3.19 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 108 K 7.98 3.76 0.00 1.67 1.62 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.46 7.81 109 A 7.63 3.87 1.26 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 0.00 0.00 110 I 7.66 3.98 1.71 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 1.27 0.32 0.97 0.00 0.00 111 D 8.19 4.49 0.00 2.81 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 0.00 112 E 8.28 4.30 0.00 2.18 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 2.30 2.58 0.00 113 L 7.63 3.97 0.00 2.04 1.89 0.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.81 3.79 1.93 0.00 0.00 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 1.77 1.55 0.94 0.00 0.00 115 Q 8.11 4.02 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 116 V 8.06 3.63 2.31 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 1.03 0.00 0.00 1.21 0.00 0.00 117 M 7.98 3.99 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.79 0.00 118 A 7.64 3.90 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 0.00 119 E 8.09 3.96 0.00 2.16 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 2.50 2.54 0.00 120 L 7.42 4.46 0.00 1.70 1.71 0.78 1.32 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 0.00 121 G 8.22 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 0.00 122 A 7.85 4.41 1.14 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 0.00 0.00 123 N 8.20 4.71 0.00 2.66 2.75 0.00 0.00 7.01 7.68 0.00 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0.00 0.00 0.00 0.00 2.36 2.36 0.00 208 A 7.82 3.92 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 0.00 209 E 8.28 4.06 0.00 2.15 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 2.35 2.58 0.00 210 N 8.15 4.26 0.00 2.73 2.96 0.00 0.00 7.23 6.66 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 0.00 211 L 7.77 4.16 0.00 1.75 1.90 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.24 4.20 0.00 2.00 1.92 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.85 7.81 213 K 7.79 3.98 0.00 2.02 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.84 7.81 214 Y 7.97 4.02 0.00 2.88 2.98 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 0.00 215 F 8.49 4.13 0.00 3.17 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 240 S 7.99 4.13 0.00 3.85 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 0.00 241 D 8.00 4.19 0.00 2.94 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 0.00 242 R 8.12 4.04 0.00 2.08 2.03 0.00 3.19 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 243 K 8.21 4.25 0.00 1.91 1.88 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.58 1.58 7.81 244 I 7.60 3.83 1.95 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 1.08 0.00 0.00 245 M 7.86 4.22 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 246 Q 8.65 3.90 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 247 S 8.18 4.15 0.00 4.30 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.37 7.81 256 L 7.39 3.98 0.00 1.43 1.75 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 257 F 8.61 4.85 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 0.00 258 K 8.11 3.99 0.00 1.98 2.06 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 259 N 7.90 4.60 0.00 2.84 2.53 0.00 0.00 6.86 6.90 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 0.00 260 F 7.86 4.78 0.00 3.18 3.02 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 0.00 0.00 0.00 261 K 7.98 3.99 0.00 1.89 1.90 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.61 7.81 262 D 7.84 4.92 0.00 2.67 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 0.00 263 D 7.41 4.85 0.00 2.89 2.63 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 0.00 264 Q 8.03 3.48 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 265 S 7.88 4.10 0.00 4.06 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 0.00 266 I 7.38 4.22 1.66 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.63 0.00 0.00 267 Q 7.79 3.95 0.00 2.27 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 268 K 7.86 4.08 0.00 1.73 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.43 7.81 269 S 8.21 4.36 0.00 3.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 270 V 7.67 3.01 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 0.90 0.00 0.00 0.92 0.00 0.00 271 E 7.70 3.86 0.00 1.97 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 2.54 2.44 0.00 272 T 8.31 3.83 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 1.04 0.00 0.00 273 I 7.31 3.40 1.36 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.05 0.88 0.00 0.00 274 K 7.27 4.08 0.00 1.56 1.82 0.00 1.59 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.80 1.66 7.81 275 E 7.95 4.10 0.00 2.10 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 2.32 2.43 0.00 276 D 8.04 4.52 0.00 3.06 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 0.00 277 M 8.52 4.12 0.00 2.63 2.32 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 278 N 8.29 4.74 0.00 3.09 3.08 0.00 0.00 6.70 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 0.00 279 V 7.95 3.66 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.05 0.00 0.00 280 K 7.98 3.90 0.00 1.93 1.89 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.48 7.81 281 F 7.90 3.87 0.00 2.69 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 F 7.96 4.37 0.00 3.35 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 0.00 283 N 8.21 3.78 0.00 2.64 2.81 0.00 0.00 7.17 8.56 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 0.00 284 S 7.94 3.69 0.00 4.11 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 0.00 285 N 7.91 4.92 0.00 2.79 2.80 0.00 0.00 7.29 6.01 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 0.00 286 K 8.66 4.05 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.52 7.81 287 K 8.19 4.04 0.00 1.94 2.32 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.84 1.60 7.81 288 K 8.86 3.81 0.00 1.74 1.73 0.00 1.60 0.00 0.00 1.24 0.00 0.00 2.40 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.90 0.21 7.81 289 R 7.65 2.51 0.00 1.78 1.86 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.78 0.00 290 D 8.12 4.46 0.00 2.88 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 0.00 291 D 8.23 4.45 0.00 3.16 2.98 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 0.00 292 F 8.15 4.13 0.00 3.24 3.04 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 0.00 293 E 7.94 4.65 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 294 K 8.01 3.84 0.00 2.05 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.47 7.81 295 L 7.33 3.59 0.00 1.55 1.55 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 296 T 7.44 4.01 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 0.68 0.00 0.00 297 N 7.44 4.96 0.00 2.67 2.79 0.00 0.00 6.91 7.54 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 0.00 298 Y 7.70 4.83 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 299 S 8.52 4.76 0.00 4.07 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 0.00 300 V 8.54 4.33 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 -1.90 0.00 0.00 301 T 7.58 4.14 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 1.24 0.00 0.00 302 D 8.07 4.45 0.00 2.75 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 0.00 303 L 8.67 4.14 0.00 1.78 1.79 0.96 0.89 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 0.00 304 N 8.53 4.41 0.00 2.78 2.83 0.00 0.00 6.63 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 0.00 305 V 7.69 3.41 2.34 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 1.11 0.00 0.00 0.86 0.00 0.00 306 Q 8.09 3.98 0.00 2.31 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 307 R 8.12 3.90 0.00 2.22 2.04 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 308 K 7.99 3.87 0.00 1.78 1.61 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.48 7.81 309 A 7.84 3.96 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 0.00 310 I 7.80 3.92 1.82 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 1.14 -0.36 0.95 0.00 0.00 311 H 8.33 4.14 0.00 3.13 3.51 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 312 E 8.61 4.28 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 313 L 7.70 3.84 0.00 1.84 1.84 0.32 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 314 I 7.82 3.93 1.92 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 1.76 1.34 0.97 0.00 0.00 315 Q 8.02 4.09 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 316 V 7.93 3.75 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 0.92 0.00 0.00 1.14 0.00 0.00 317 M 8.28 3.86 0.00 1.30 1.94 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 318 A 7.79 4.29 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 319 E 7.62 4.62 0.00 1.95 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 2.24 2.22 0.00 320 L 7.58 4.13 0.00 1.65 1.63 0.62 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 321 S 7.76 4.57 0.00 3.90 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 0.00 322 P 0.00 4.76 0.00 2.02 1.96 0.00 3.71 0.00 0.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 323 A 8.21 4.26 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 0.00 324 A 8.18 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.