NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3213 8.1627 120.3870 56.2643 34.8265 179.2650 2 E 3.0564 9.0753 120.9704 55.7831 31.9196 175.9710 3 R 3.8444 9.8853 118.4811 59.8727 31.7058 176.5075 4 Y 3.7774 8.0313 115.9465 61.7603 37.9480 177.6487 5 E 4.0864 8.6250 118.8215 59.5352 29.3899 178.4522 6 S 4.1539 8.6568 114.1422 61.8511 63.1345 176.7634 7 L 3.8835 7.7104 121.2775 58.4786 41.9440 178.9680 8 F 4.7667 8.2819 117.2558 60.2408 38.6474 177.7118 9 A 4.1244 8.1381 120.7616 55.3365 16.8135 179.2043 10 Q 4.2940 8.3096 114.3268 57.2180 28.6631 177.9244 11 L 4.5746 7.6297 121.3242 56.6314 41.8945 178.5153 12 K 3.9368 7.9474 119.5912 59.4303 32.0213 178.1922 13 E 3.8950 8.2402 119.0469 59.4081 29.5053 178.0557 14 R 4.1906 7.4491 114.1742 55.8607 29.3403 176.2465 15 K 3.9832 9.2627 118.3817 56.9929 30.1446 174.4716 16 E 4.9537 8.4256 114.6545 54.7685 32.8860 175.4368 17 G 4.0978 8.7146 109.4509 45.6714 0.0000 172.3859 18 A 5.7736 8.8270 121.1966 49.8068 21.8540 175.9173 19 F 5.0972 8.9527 122.3817 56.6256 42.0130 174.4404 20 V 4.4593 8.9927 127.6848 58.9501 32.3837 172.9889 21 P 4.7258 0.0000 0.0000 62.2815 32.9406 174.8154 22 F 5.8310 9.4415 123.2537 55.6383 41.6878 174.6048 23 V 4.3614 7.1585 123.1491 60.4000 35.6678 173.7436 24 T 4.8326 8.0537 118.3610 61.5562 70.1942 174.2587 25 L 3.8717 8.1242 126.8236 56.7698 42.0792 177.8648 26 G 3.7844 8.9182 110.3934 45.7898 0.0000 172.0277 27 D 4.8352 7.7160 118.9981 51.4441 42.3292 174.5321 28 P 4.4473 0.0000 0.0000 64.3904 32.1979 176.2926 29 G 4.2369 7.4798 104.5653 41.9928 0.0000 173.5751 30 I 3.6878 8.1068 120.5185 64.3028 37.2443 178.4455 31 E 3.8942 8.0570 119.6385 59.2211 29.3273 178.4385 32 Q 3.8953 7.9099 117.8673 59.2341 29.5752 177.2442 33 S 4.1840 8.4801 114.5203 61.7382 62.2980 176.0774 34 L 3.9168 7.8594 121.0884 57.9003 40.9560 179.5951 35 K 3.9993 8.0639 118.8080 59.1574 31.8597 178.3770 36 I 3.7152 8.1745 120.7752 63.8687 37.2507 177.6382 37 I 3.6278 7.6666 119.8517 64.8637 36.9474 177.7666 38 D 4.3406 8.0243 119.1596 57.9121 40.4829 179.1718 39 T 3.8772 7.1599 114.9824 66.5678 68.5818 176.3062 40 L 4.2326 8.1844 121.0067 58.2684 41.6076 179.1421 41 I 3.7426 7.9317 119.6281 64.6218 36.7703 177.9283 42 E 4.3402 8.5160 115.3583 57.4549 28.2710 177.4853 43 A 4.6097 9.7300 123.1131 51.4712 20.8113 178.2836 44 G 3.9361 8.4977 111.9521 45.6209 0.0000 173.4632 45 A 4.2396 7.2256 124.0970 53.3547 18.7255 176.9995 46 D 4.6767 8.6035 121.0633 55.1500 42.6396 176.3759 47 A 4.7313 7.3389 118.8163 50.7572 22.7412 175.5295 48 L 4.4189 8.4262 122.3886 53.9827 44.0094 175.7052 49 E 4.6165 8.5171 123.0603 54.3323 30.9466 172.8421 50 L 4.3907 8.9100 125.0937 53.2132 43.1880 176.2881 51 G 4.0388 8.8959 113.2771 45.8059 0.0000 172.1605 52 I 4.9547 7.8369 123.8274 58.3351 39.0887 174.2518 53 P 4.4079 0.0000 0.0000 63.4785 32.0024 174.2926 54 F 3.6562 8.4625 122.7093 59.1254 38.6417 175.0101 *76 V 3.8497 7.8408 126.3814 62.6490 32.4184 175.8669 77 T 4.2540 9.5769 119.9084 60.3355 70.9821 173.8597 78 P 4.2619 0.0000 0.0000 65.9229 31.4261 178.6611 79 A 4.2191 8.3383 119.0117 55.4624 18.0031 179.6366 80 Q 3.9589 7.6187 113.1880 59.2878 29.0654 178.1740 81 C 4.0779 7.8439 117.4150 63.0332 28.1523 176.3453 82 F 4.1042 8.9013 119.4862 60.1646 38.5449 177.4803 83 E 4.0430 8.0646 119.0407 59.3045 29.3225 178.8174 84 M 4.0571 8.5476 119.3003 58.2445 31.9975 178.5269 85 L 3.8704 8.0031 118.9318 57.7706 41.7466 179.4783 86 A 4.3595 8.0309 121.8504 54.5657 18.2917 179.6357 87 L 3.8988 7.7457 117.1952 58.1240 41.6796 179.3777 88 I 3.6743 8.3649 120.0034 64.6858 36.8749 177.8793 89 R 4.0684 7.9213 118.2463 59.9498 29.9354 177.4526 90 E 4.0217 8.1002 117.5451 59.4494 29.6449 178.5850 91 K 4.2204 8.2485 118.8917 58.1713 33.0740 176.4944 92 H 4.8038 8.8718 117.4673 52.3286 29.5842 171.5281 93 P 4.3921 0.0000 0.0000 65.4245 31.1932 178.4129 94 T 4.1777 7.6134 106.1312 61.4329 69.7829 174.4427 95 I 3.4241 6.9432 123.5212 60.5822 38.2399 173.1481 96 P 4.0084 0.0000 0.0000 63.0663 32.1480 175.4832 97 I 4.2411 10.8957 127.0897 59.6980 38.7175 175.2024 98 G 4.6322 8.6147 114.1573 43.4790 0.0000 171.5342 99 L 5.3003 8.8321 123.1764 53.0180 45.0214 175.5980 100 L 4.9358 8.6318 122.2470 54.1921 45.2926 174.9677 101 M 4.7059 8.6131 123.0431 54.7629 35.2016 173.3118 102 Y 5.0714 8.1036 116.5158 56.7472 39.4873 176.9991 103 A 3.9679 10.0572 122.4062 54.7374 18.2843 179.6192 104 N 4.5523 8.3062 115.3084 56.4984 38.6985 176.5334 105 L 3.9252 7.9665 120.8860 58.4013 41.5549 179.2161 106 V 2.7843 7.2160 117.0662 65.9387 31.3458 177.8905 107 F 4.1041 8.3606 116.5877 60.1907 38.6857 177.1456 108 N 4.5628 8.4341 116.7233 56.5188 38.9175 176.3528 109 K 4.6185 7.7729 117.1167 54.8205 32.7046 172.7284 110 G 3.9151 7.1087 118.1049 45.4375 0.0000 174.9690 111 I 3.4472 7.9554 125.5646 64.7310 37.8491 177.1292 112 D 4.5245 8.3806 118.5314 57.9770 40.8410 178.3300 113 E 3.8953 8.2882 117.6842 59.5880 29.7056 177.8698 114 F 4.1754 8.3536 120.9879 61.1698 39.4432 176.3246 115 Y 3.8373 8.3486 115.8092 61.2871 37.4100 179.0182 116 A 3.8937 8.3213 121.7745 54.9290 18.3475 179.3649 117 R 3.7499 7.8688 116.5840 58.5957 29.7152 178.1726 118 C 4.2163 7.4177 116.1480 62.4166 28.2701 175.1669 119 E 4.0173 8.5719 120.1789 58.5441 29.2654 178.2637 120 K 4.2143 7.4211 116.5193 57.8315 32.6338 178.3396 121 V 4.1702 7.2983 110.9768 60.5112 31.8693 176.7125 122 G 3.8942 8.0794 108.1889 45.8429 0.0000 174.9070 123 V 3.6709 7.5495 117.8469 63.1110 32.2207 174.8781 124 D 5.0976 9.8207 125.2396 55.0725 43.4024 176.1330 125 S 5.2471 8.0069 111.1752 57.3769 66.8566 173.8004 126 V 4.7087 8.3369 120.5069 61.8320 34.3427 173.6777 127 L 4.2223 8.7767 131.5584 53.8895 43.5329 175.6293 128 V 4.6192 8.3907 127.7900 62.0759 30.4693 176.6159 129 A 3.2981 8.3215 119.7881 53.2608 19.1847 178.4134 130 D 4.3270 9.3601 121.3020 54.8490 40.8735 178.5712 131 V 3.5702 7.4203 120.4690 61.7840 31.4799 173.9321 132 P 4.5383 0.0000 0.0000 62.0387 31.9508 177.3907 133 V 3.5739 8.4229 118.7448 66.2390 31.4065 177.8343 134 E 4.0636 8.0984 116.7281 58.0657 29.5847 177.0548 135 E 4.6845 7.7539 116.9255 56.0835 30.0261 177.6854 136 S 4.3559 8.3437 116.4305 61.8100 63.0748 176.9932 137 A 3.7550 7.3742 123.1955 53.7255 19.1853 177.2604 138 P 4.1903 0.0000 0.0000 65.6022 31.2797 178.7119 139 F 3.9259 9.1621 118.2099 60.3089 38.8341 177.6327 140 R 4.0592 8.2709 117.7851 59.5829 29.7046 178.4333 141 Q 3.9305 8.1300 117.4345 58.8228 28.9050 177.9347 142 A 3.8088 7.6954 121.4711 55.3390 18.2136 179.6116 143 A 3.8125 7.6308 119.2513 55.1909 18.1949 179.9282 144 L 3.8673 7.2489 116.4197 57.8462 41.7137 179.6263 145 R 4.0372 8.2459 117.8584 58.3368 30.2783 177.8228 146 H 5.0037 7.8450 115.3224 57.1586 31.3746 174.7853 147 N 4.1396 8.0694 113.0264 54.3993 35.9526 174.2034 148 V 4.7747 8.5179 117.6749 60.9570 35.9020 175.3698 149 A 4.4884 9.1844 128.6501 50.4744 20.3607 174.8502 150 P 4.4933 0.0000 0.0000 62.5821 32.3257 175.4547 151 I 4.2646 7.8400 125.5985 59.5236 39.0824 175.1053 152 F 5.0182 8.3378 122.6409 55.8162 43.7276 173.4047 153 I 4.7482 8.5017 120.4860 59.9254 39.2437 175.0539 154 C 4.7655 9.1785 128.5046 56.7893 32.9512 171.2653 155 P 4.8250 0.0000 0.0000 61.9198 31.9981 175.5381 156 P 4.4351 0.0000 0.0000 64.5271 32.1931 176.6763 157 N 4.9438 8.1243 116.5723 51.2747 37.8413 174.4017 158 A 4.1732 7.7055 122.3683 52.8685 19.2980 178.9164 159 D 4.6516 8.5227 123.0792 52.7968 41.9665 176.7413 160 D 4.4943 8.8247 119.6600 58.4028 40.9741 178.2686 161 D 4.2732 8.1650 118.5562 57.0687 40.8526 177.9157 162 L 3.9233 8.9440 120.6943 58.5031 42.0364 179.2046 163 L 4.0307 8.0008 118.4762 58.2262 41.5995 179.7925 164 R 3.7639 7.8989 117.4681 59.8570 29.9458 178.4413 165 Q 3.5662 8.0814 117.5357 58.4621 28.5707 178.7001 166 I 3.4891 8.1597 120.0088 64.7462 37.2828 177.8776 167 A 4.0352 7.9616 120.3028 55.5744 18.2433 179.6160 168 S 4.1365 7.3408 110.4603 61.8629 63.3012 175.9827 169 Y 4.5102 7.4956 119.5037 59.0853 37.9422 176.6094 170 G 4.5404 7.9354 108.3552 44.5071 0.0000 173.0202 171 R 4.6616 8.2784 120.8446 54.7149 34.5877 177.5722 172 G 3.6499 9.3377 112.2000 46.0388 0.0000 174.2056 173 Y 5.2250 8.0737 117.1736 55.2601 42.8128 176.3738 174 T 4.5271 9.2461 115.2080 61.9547 72.3503 173.2397 175 Y 4.5315 8.6263 128.7378 56.7391 39.7352 173.7954 176 L 4.7592 8.3290 130.5033 53.8131 43.3174 175.3150 177 L 4.8086 8.9473 130.6808 54.7468 42.6775 176.9027 178 S 4.5349 8.5772 120.1207 57.5212 64.6030 175.4140 179 R 4.2430 8.6275 114.2476 57.0000 28.5645 176.9071 180 A 4.7170 8.3207 120.7176 52.5860 20.2523 178.0563 181 G 2.9598 7.6226 102.1833 44.5599 0.0000 172.4224 *189 A 3.9584 7.7491 121.6832 51.3890 19.5843 176.2240 190 A 4.4008 8.4281 123.7387 51.4958 18.9194 177.4777 191 L 4.3965 8.4122 123.5870 53.6088 42.9215 175.6238 192 P 4.2808 0.0000 0.0000 63.0490 31.1201 177.1253 193 L 4.0943 8.8384 120.6402 56.5421 42.0925 178.3034 194 N 4.6744 8.5854 118.5664 55.5673 39.1242 176.5304 195 H 4.0609 8.1855 119.1289 59.4779 29.8296 176.6719 196 L 3.8118 7.8939 119.8851 57.9375 41.4413 179.2295 197 V 3.5018 7.2808 117.9098 66.1970 31.3076 178.0357 198 A 3.8539 7.8697 119.9961 55.2005 17.9097 179.7148 199 K 3.5206 8.3897 116.7825 58.6339 32.1227 179.2156 200 L 4.0498 7.4917 119.3876 57.1582 41.9003 178.7315 201 K 3.7993 7.8671 117.1877 59.6181 31.9827 178.6930 202 E 4.0054 8.1071 118.8586 59.1773 29.7758 178.6286 203 Y 4.7608 6.9795 113.9411 59.2089 39.7410 175.1562 204 N 4.0996 8.4149 113.0574 54.0131 36.6002 174.5529 205 A 4.5943 7.6207 118.0854 51.1699 19.6582 178.6420 206 A 4.1489 8.6686 121.5084 51.6404 19.4876 175.9020 207 P 4.1330 0.0000 0.0000 62.6220 32.5379 173.6958 208 P 5.0685 0.0000 0.0000 62.3347 33.3141 174.8036 209 L 4.9817 9.4104 125.7535 52.7643 44.0009 175.4717 210 Q 4.4982 8.8254 127.0074 55.7731 30.1234 175.0949 211 G 4.5845 8.4175 111.9534 43.6734 0.0000 170.2435 212 F 3.7847 8.9158 123.1750 59.3232 38.5867 174.0005 213 G 3.6954 8.0457 115.4686 46.4529 0.0000 173.1684 214 I 4.5601 7.6963 121.6369 59.1401 37.0833 175.4485 215 S 4.9365 8.9092 123.1491 55.6054 63.7517 175.0573 216 A 4.7157 7.7868 120.4355 50.2080 23.2463 175.1892 217 P 4.1076 0.0000 0.0000 65.9963 31.3473 178.2474 218 D 4.4848 8.2572 116.8586 58.2865 40.7174 178.9235 219 Q 4.0186 7.9466 117.4135 58.9815 28.8857 179.1695 220 V 3.6198 7.9806 119.4419 65.7475 31.4714 177.8933 221 K 4.4875 9.0148 121.3747 58.9805 31.9075 178.6572 222 A 3.9415 8.2573 120.7322 54.9196 18.1638 179.0278 223 A 3.9487 8.3476 119.8133 55.8637 18.3316 180.0352 224 I 3.8516 7.7600 117.7677 64.6224 36.9236 178.4337 225 D 4.3608 7.6855 118.5168 57.2352 40.7755 178.3035 226 A 4.1766 8.0495 119.7295 53.2483 18.4176 178.1583 227 G 3.8827 8.1553 105.5579 44.7383 0.0000 174.1455 228 A 4.0841 7.3278 121.9342 51.9668 18.9772 177.7614 229 A 4.2340 8.9016 122.3051 51.8462 19.4085 177.6895 230 G 4.5927 6.7619 105.8014 46.2698 0.0000 171.5211 231 A 5.4901 8.4510 122.1136 49.9768 22.6939 175.3952 232 I 5.5189 8.1389 118.6911 58.5750 40.3065 175.3133 233 S 4.7478 8.6594 119.4532 57.0793 65.9576 174.1303 234 G 4.1984 8.6333 109.6609 45.9915 0.0000 174.7218 235 S 3.9500 8.2837 113.7508 61.3103 62.2798 175.6846 236 A 3.8303 7.9685 122.6227 55.5409 17.8842 179.3887 237 I 3.3556 7.5337 117.3763 64.3615 37.0003 178.7533 238 V 3.5697 7.6281 118.9324 65.8991 31.4129 177.8940 239 K 3.8069 8.2281 118.6671 59.8414 31.9295 179.1611 240 I 3.6864 7.7682 119.5829 64.5969 36.8141 178.6067 241 I 3.7589 7.2716 119.4290 64.1199 37.2390 177.9869 242 E 4.0399 8.3669 120.5956 59.5234 29.4303 178.9706 243 Q 4.1426 8.2115 116.6418 58.0112 28.8928 176.8807 244 H 5.0552 7.7620 116.4703 55.5641 29.6411 174.8106 245 I 4.0952 7.7667 115.7292 61.8352 37.1453 175.9944 246 N 5.0084 7.9981 114.8240 52.6445 40.7710 174.5712 247 E 4.6352 7.9359 118.6711 52.9048 28.9766 174.1934 248 P 4.2362 0.0000 0.0000 65.7733 31.7100 177.2878 249 E 3.8139 8.0704 117.1370 58.8811 29.7517 178.6917 250 K 3.9439 7.8313 118.2651 59.4029 32.3557 178.5352 251 M 3.8952 9.0402 119.5892 58.9226 31.9430 178.3927 252 L 4.0148 7.5447 118.3337 57.5149 41.6949 179.2720 253 A 3.9819 7.5991 120.0114 55.1563 18.3446 179.4115 254 A 3.8977 7.8161 119.1575 55.4745 18.4470 179.9378 255 L 4.1020 7.7976 116.9142 57.8832 41.4940 179.8414 256 K 4.0466 8.6247 118.6724 59.4319 32.0273 179.2486 257 V 3.7747 8.2731 118.2949 65.3606 31.3906 177.7684 258 F 4.3465 8.3166 120.8689 61.7149 39.3029 176.4606 259 V 3.0384 8.5800 117.7620 64.1140 30.8464 179.7255 260 Q 3.2405 7.1905 116.1433 57.3790 29.3324 177.2315 261 P 4.1243 0.0000 0.0000 66.0641 31.0031 177.7877 262 M 3.5234 6.7767 118.9966 57.5498 32.3051 178.6195 263 K 3.8219 7.2552 118.9769 59.4230 32.1760 178.6473 264 A 3.9990 8.4161 121.1460 54.5995 18.3890 178.8002 265 A 4.2064 8.0055 118.5743 53.7329 18.2758 178.4139 266 T 4.3762 7.6359 107.4250 61.0452 69.1569 174.3082 267 R 4.7849 7.4507 120.2083 54.9769 32.9469 176.2565 268 S 4.0327 7.8421 113.3930 59.0105 65.0614 171.9357 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 4.32 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 2 E 9.08 3.06 0.00 2.20 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 2.34 2.35 0.00 3 R 9.89 3.84 0.00 1.70 1.76 0.00 3.54 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 4 Y 8.03 3.78 0.00 3.28 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.62 4.09 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 6 S 8.66 4.15 0.00 3.88 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 7 L 7.71 3.88 0.00 1.46 1.69 0.87 0.51 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 8 F 8.28 4.77 0.00 3.37 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 9 A 8.14 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.31 4.29 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 11 L 7.63 4.57 0.00 2.04 2.02 1.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.95 3.94 0.00 1.88 1.98 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 13 E 8.24 3.89 0.00 1.98 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 2.32 2.38 0.00 14 R 7.45 4.19 0.00 2.06 2.13 0.00 3.55 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 15 K 9.26 3.98 0.00 1.77 1.88 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 16 E 8.43 4.95 0.00 2.14 1.83 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 2.22 2.29 0.00 17 G 8.71 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 18 A 8.83 5.77 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 19 F 8.95 5.10 0.00 3.10 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 20 V 8.99 4.46 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 1.14 0.00 0.00 0.85 0.00 0.00 21 P 0.00 4.73 0.00 2.18 2.13 0.00 3.50 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 22 F 9.44 5.83 0.00 3.00 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 23 V 7.16 4.36 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 0.57 0.00 0.00 0.86 0.00 0.00 24 T 8.05 4.83 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 1.27 0.00 0.00 25 L 8.12 3.87 0.00 1.54 1.57 0.78 0.72 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 26 G 8.92 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 0.00 0.00 0.00 27 D 7.72 4.84 0.00 2.68 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 28 P 0.00 4.45 0.00 2.21 2.15 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 29 G 7.48 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 0.00 0.00 0.00 30 I 8.11 3.69 1.86 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 1.50 0.49 0.89 0.00 0.00 31 E 8.06 3.89 0.00 2.02 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 2.37 2.36 0.00 32 Q 7.91 3.90 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 33 S 8.48 4.18 0.00 4.10 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 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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 0.00 0.00 0.00 2.37 2.39 0.00 43 A 9.73 4.61 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.23 4.24 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 46 D 8.60 4.68 0.00 2.73 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 47 A 7.34 4.73 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.43 4.42 0.00 1.55 1.49 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.52 4.62 0.00 2.04 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 2.48 2.63 0.00 50 L 8.91 4.39 0.00 1.53 1.42 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.90 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 52 I 7.84 4.95 1.85 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 1.15 0.61 0.93 0.00 0.00 53 P 0.00 4.41 0.00 2.24 2.09 0.00 3.82 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 54 F 8.46 3.66 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 V 7.84 3.85 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 0.90 0.00 0.00 77 T 9.58 4.25 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 1.16 0.00 0.00 78 P 0.00 4.26 0.00 2.38 2.43 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 79 A 8.34 4.22 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 80 Q 7.62 3.96 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 81 C 7.84 4.08 0.00 2.97 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 82 F 8.90 4.10 0.00 3.14 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 83 E 8.06 4.04 0.00 2.30 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 2.32 2.36 0.00 84 M 8.55 4.06 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 85 L 8.00 3.87 0.00 1.86 1.69 0.56 0.49 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 86 A 8.03 4.36 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.75 3.90 0.00 1.94 1.72 0.92 0.80 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 88 I 8.36 3.67 1.97 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 1.39 1.17 0.88 0.00 0.00 89 R 7.92 4.07 0.00 1.81 2.23 0.00 3.31 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 90 E 8.10 4.02 0.00 2.03 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 2.32 2.36 0.00 91 K 8.25 4.22 0.00 2.02 1.70 0.00 2.01 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.43 7.81 92 H 8.87 4.80 0.00 3.05 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.39 0.00 2.15 2.18 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 94 T 7.61 4.18 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 95 I 6.94 3.42 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.89 0.00 0.00 96 P 0.00 4.01 0.00 1.57 0.64 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 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0.00 2.01 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 2.26 2.33 0.00 114 F 8.35 4.18 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.35 3.84 0.00 3.13 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 0.00 116 A 8.32 3.89 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 0.00 117 R 7.87 3.75 0.00 1.77 1.04 0.00 2.44 0.00 0.00 2.80 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 0.00 118 C 7.42 4.22 0.00 3.03 2.88 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 0.00 119 E 8.57 4.02 0.00 2.19 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 2.34 2.39 0.00 120 K 7.42 4.21 0.00 1.70 1.79 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.63 7.81 121 V 7.30 4.17 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 1.06 0.00 0.00 1.26 0.00 0.00 122 G 8.08 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 0.00 123 V 7.55 3.67 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 0.93 0.00 0.00 0.90 0.00 0.00 124 D 9.82 5.10 0.00 2.51 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 0.00 125 S 8.01 5.25 0.00 4.01 4.20 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 0.00 126 V 8.34 4.71 2.27 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 0.88 0.00 0.00 0.98 0.00 0.00 127 L 8.78 4.22 0.00 1.74 1.69 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.39 4.62 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 129 A 8.32 3.30 1.18 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 0.00 0.00 130 D 9.36 4.33 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 7.42 3.57 1.83 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 0.40 0.00 0.00 0.19 0.00 0.00 132 P 0.00 4.54 0.00 2.26 2.17 0.00 3.78 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 2.08 1.96 0.00 133 V 8.42 3.57 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 0.80 0.00 0.00 0.94 0.00 0.00 134 E 8.10 4.06 0.00 1.97 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 2.30 2.37 0.00 135 E 7.75 4.68 0.00 1.99 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 2.27 2.39 0.00 136 S 8.34 4.36 0.00 4.33 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 0.00 137 A 7.37 3.76 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 0.00 138 P 0.00 4.19 0.00 1.98 2.28 0.00 4.02 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 139 F 9.16 3.93 0.00 3.16 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 0.00 140 R 8.27 4.06 0.00 2.06 2.16 0.00 3.41 0.00 0.00 3.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 141 Q 8.13 3.93 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 142 A 7.70 3.81 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 0.00 143 A 7.63 3.81 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 0.00 144 L 7.25 3.87 0.00 1.75 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.25 4.04 0.00 1.52 1.78 0.00 3.05 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 146 H 7.84 5.00 0.00 3.23 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.07 4.14 0.00 2.95 2.91 0.00 0.00 6.85 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 0.00 148 V 8.52 4.77 2.42 0.00 0.00 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 1.12 0.00 0.00 149 A 9.18 4.49 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.49 0.00 2.14 1.96 0.00 3.61 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 2.17 2.10 0.00 151 I 7.84 4.26 1.60 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.30 0.47 0.00 0.00 152 F 8.34 5.02 0.00 2.96 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 0.00 153 I 8.50 4.75 1.89 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 1.06 0.54 0.98 0.00 0.00 154 C 9.18 4.77 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.83 0.00 2.36 2.16 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 156 P 0.00 4.44 0.00 2.14 2.56 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 157 N 8.12 4.94 0.00 2.84 2.91 0.00 0.00 6.38 7.26 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 0.00 158 A 7.71 4.17 1.36 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 0.00 0.00 159 D 8.52 4.65 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.82 4.49 0.00 2.88 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 0.00 161 D 8.17 4.27 0.00 3.08 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 0.00 162 L 8.94 3.92 0.00 1.78 1.90 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.00 4.03 0.00 2.11 1.90 0.95 0.76 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 0.00 164 R 7.90 3.76 0.00 1.89 1.69 0.00 2.94 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.41 0.00 165 Q 8.08 3.57 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 166 I 8.16 3.49 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 1.01 0.00 0.00 167 A 7.96 4.04 1.49 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 0.00 168 S 7.34 4.14 0.00 3.80 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 7.50 4.51 0.00 2.47 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.94 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 8.28 4.66 0.00 1.81 1.89 0.00 3.50 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 172 G 9.34 3.65 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 0.00 0.00 0.00 173 Y 8.07 5.22 0.00 3.11 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 0.00 174 T 9.25 4.53 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 0.00 175 Y 8.63 4.53 0.00 3.24 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 0.00 176 L 8.33 4.76 0.00 1.86 1.50 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.95 4.81 0.00 1.78 1.70 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.58 4.53 0.00 4.10 4.09 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 0.00 179 R 8.63 4.24 0.00 1.94 2.09 0.00 3.08 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 180 A 8.32 4.72 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 G 7.62 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *189 A 7.75 3.96 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 0.00 190 A 8.43 4.40 1.25 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 0.00 0.00 191 L 8.41 4.40 0.00 1.63 1.59 1.00 1.12 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 0.00 192 P 0.00 4.28 0.00 2.12 2.21 0.00 3.71 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 2.09 2.02 0.00 193 L 8.84 4.09 0.00 1.74 1.76 0.95 0.73 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 0.00 194 N 8.59 4.67 0.00 2.74 2.84 0.00 0.00 6.61 8.10 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 0.00 195 H 8.19 4.06 0.00 3.22 3.49 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.89 3.81 0.00 1.67 1.68 0.93 0.93 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 0.00 197 V 7.28 3.50 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 1.09 0.00 0.00 0.96 0.00 0.00 198 A 7.87 3.85 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 0.00 199 K 8.39 3.52 0.00 1.65 1.62 0.00 1.16 0.00 0.00 1.37 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.13 1.47 7.81 200 L 7.49 4.05 0.00 1.78 1.65 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 201 K 7.87 3.80 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.62 7.81 202 E 8.11 4.01 0.00 1.74 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 2.27 2.29 0.00 203 Y 6.98 4.76 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 8.41 4.10 0.00 2.79 2.87 0.00 0.00 7.12 7.35 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 0.00 205 A 7.62 4.59 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 0.00 206 A 8.67 4.15 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 0.00 207 P 0.00 4.13 0.00 0.99 1.15 0.00 3.96 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 208 P 0.00 5.07 0.00 2.09 2.17 0.00 3.51 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 209 L 9.41 4.98 0.00 1.41 1.45 0.37 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.83 4.50 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 211 G 8.42 4.58 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 0.00 0.00 0.00 212 F 8.92 3.78 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 0.00 213 G 8.05 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 0.00 214 I 7.70 4.56 2.10 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 1.51 0.91 0.99 0.00 0.00 215 S 8.91 4.94 0.00 3.98 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 0.00 216 A 7.79 4.72 1.36 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 0.00 0.00 217 P 0.00 4.11 0.00 2.11 2.02 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 218 D 8.26 4.48 0.00 2.76 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 0.00 219 Q 7.95 4.02 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 220 V 7.98 3.62 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 221 K 9.01 4.49 0.00 2.04 1.92 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.45 7.81 222 A 8.26 3.94 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 0.00 223 A 8.35 3.95 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 0.00 0.00 0.00 0.00 0.00 224 I 7.76 3.85 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 1.54 0.55 0.91 0.00 0.00 225 D 7.69 4.36 0.00 2.73 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 0.00 226 A 8.05 4.18 1.36 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 0.00 0.00 227 G 8.16 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 0.00 228 A 7.33 4.08 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 0.00 229 A 8.90 4.23 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 G 6.76 4.59 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 0.00 0.00 0.00 231 A 8.45 5.49 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 0.00 232 I 8.14 5.52 1.82 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 0.96 0.65 1.06 0.00 0.00 233 S 8.66 4.75 0.00 4.24 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 0.00 234 G 8.63 4.20 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 0.00 235 S 8.28 3.95 0.00 3.81 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 0.00 236 A 7.97 3.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 I 7.53 3.36 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.94 0.00 0.00 238 V 7.63 3.57 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 1.13 0.00 0.00 1.05 0.00 0.00 239 K 8.23 3.81 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.62 7.81 240 I 7.77 3.69 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.93 0.00 0.00 241 I 7.27 3.76 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 1.40 0.69 0.96 0.00 0.00 242 E 8.37 4.04 0.00 2.18 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 2.29 2.34 0.00 243 Q 8.21 4.14 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 244 H 7.76 5.06 0.00 3.22 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 I 7.77 4.10 2.01 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 1.30 0.75 0.91 0.00 0.00 246 N 8.00 5.01 0.00 2.70 2.79 0.00 0.00 6.88 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 0.00 247 E 7.94 4.64 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 248 P 0.00 4.24 0.00 2.15 2.27 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 249 E 8.07 3.81 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 250 K 7.83 3.94 0.00 1.97 1.76 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 251 M 9.04 3.90 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 252 L 7.54 4.01 0.00 1.74 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 253 A 7.60 3.98 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 0.00 254 A 7.82 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 0.00 255 L 7.80 4.10 0.00 1.95 1.81 0.93 0.54 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 0.00 256 K 8.62 4.05 0.00 1.88 1.89 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.58 7.81 257 V 8.27 3.77 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 258 F 8.32 4.35 0.00 3.27 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 0.00 259 V 8.58 3.04 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 1.07 0.00 0.00 1.29 0.00 0.00 260 Q 7.19 3.24 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 261 P 0.00 4.12 0.00 2.07 2.15 0.00 3.55 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 2.05 2.01 0.00 262 M 6.78 3.52 0.00 0.81 0.94 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 263 K 7.26 3.82 0.00 1.64 1.74 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.53 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 264 A 8.42 4.00 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 0.00 265 A 8.01 4.21 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 0.00 266 T 7.64 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 267 R 7.45 4.78 0.00 1.73 1.84 0.00 3.27 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.51 0.00 268 S 7.84 4.03 0.00 4.17 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.