NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2953 7.8827 121.4517 61.1996 38.7758 173.7849 17 V 4.3323 8.4714 125.4981 61.7005 32.9903 174.4482 18 G 3.7060 8.4537 113.6894 46.3664 0.0000 173.1434 19 G 4.1382 7.7260 109.5518 44.0247 0.0000 172.2085 20 Y 4.9629 7.7195 116.5820 55.1024 42.2279 174.7162 21 T 4.3599 8.5702 116.7271 63.7706 68.4400 175.5558 22 C 4.3306 8.6519 125.3560 60.5523 35.2260 174.9180 23 G 4.1194 8.6803 106.7852 44.1609 0.0000 172.8995 24 A 4.2146 8.7022 126.1007 54.1113 18.6507 176.6725 25 N 4.2517 8.8449 118.4880 54.4059 36.3298 175.4463 26 T 4.1790 7.6055 107.6209 62.7805 69.9707 175.1330 27 V 4.0531 7.0464 122.3988 60.0116 31.2853 173.6841 28 P 4.5182 0.0000 0.0000 64.0041 31.9602 178.2725 29 Y 4.8923 6.7637 115.5570 56.6535 38.8272 174.7778 30 Q 4.5585 7.2755 123.3246 56.4271 29.1674 175.5189 31 V 4.8547 8.8454 118.6125 59.6530 36.2989 174.1332 32 S 4.9296 8.6891 116.5851 56.5755 65.1480 172.5656 33 L 4.5874 8.4260 127.1418 53.0798 43.3772 174.9043 34 N 5.8486 8.9821 122.7945 50.0562 42.0244 174.9410 *37 S 4.2547 8.4105 119.9957 58.3211 64.1538 174.5499 38 G 4.0087 9.9106 108.9198 46.0902 0.0000 172.8220 39 Y 4.5238 6.7071 115.1102 56.2450 39.9796 172.5788 40 H 4.5910 8.8633 121.7156 55.9945 30.3867 174.6937 41 F 4.9522 7.8938 120.6835 57.4251 40.1424 174.0693 42 C 4.7332 6.8016 114.7241 55.9118 45.0902 173.0823 43 G 4.3057 8.5186 108.7264 45.4031 0.0000 172.2036 44 G 4.5144 8.0324 104.7175 46.3228 0.0000 172.5476 45 S 5.4633 8.8448 115.3972 56.4098 66.8993 173.6956 46 L 4.6359 9.1563 127.6845 54.9051 42.3456 177.1207 47 I 4.4905 8.5050 119.7239 61.1415 39.0038 174.4238 48 N 4.7689 7.5540 117.4561 52.1537 39.5923 174.7708 49 S 4.2543 8.6149 111.3431 60.0873 63.4062 174.4783 50 Q 4.5221 9.1674 121.5145 55.3416 30.9585 174.2218 51 W 5.5518 8.3358 117.1786 55.5646 33.4479 174.3777 52 V 5.1617 8.9943 122.8625 61.0515 34.7484 174.3673 53 V 4.9225 8.6899 125.4861 60.4932 34.1640 174.8629 54 S 5.0601 8.9113 116.6312 57.8086 66.0641 171.9138 55 A 4.7925 8.7380 120.0690 49.8528 20.3912 178.4496 56 A 3.7906 8.2781 124.6399 55.2969 18.4307 179.0347 57 H 4.5475 8.3043 109.0355 57.1218 28.6162 175.2601 58 C 4.7362 7.8941 117.1989 57.1204 40.6715 173.4369 59 Y 4.1253 7.8348 121.9943 57.5027 38.8192 175.0165 60 K 3.6578 6.2101 123.1802 56.5752 34.2968 173.8862 61 S 4.3126 8.2179 114.6006 57.6103 65.0501 173.1691 62 G 3.6410 8.2813 105.6667 46.7186 0.0000 173.6763 63 I 4.5582 7.3389 118.8906 59.4321 39.9570 175.6635 64 Q 4.7856 8.8164 127.7000 54.2115 31.8289 174.0895 65 V 4.3207 8.8412 126.7668 61.6388 33.6739 174.5452 65A R 5.0498 8.7976 127.2134 54.7260 32.2687 175.2317 66 L 4.7248 8.8669 124.5537 52.7812 44.6673 177.2901 *69 G 4.0015 8.2214 105.9847 46.3031 0.0000 172.8264 70 E 4.6530 8.4421 118.7637 55.4829 30.5476 174.5447 71 D 4.7375 8.0711 118.5108 54.7963 43.9656 174.2343 72 N 5.2560 7.9492 122.1746 52.1060 38.9857 175.8223 73 I 3.8962 8.2833 119.9280 62.3744 37.7980 176.3532 74 N 4.7767 8.5633 117.9529 53.0254 39.2227 174.7735 75 V 4.3923 7.3649 117.2614 60.7205 34.3729 174.7473 76 V 4.1561 8.3950 126.6195 62.4062 31.9435 175.2126 77 E 4.5412 9.7208 125.3917 55.0039 31.2788 176.3734 78 G 3.9780 8.7473 107.0373 46.1565 0.0000 174.2550 79 N 4.5975 8.9997 117.1544 52.7058 36.6497 174.3147 80 E 4.6003 7.6389 117.1949 56.2438 30.8350 176.2357 81 Q 4.4355 8.9835 121.1541 54.2462 32.6829 174.0466 82 F 5.6295 8.8176 122.8207 55.9522 41.1419 175.2287 83 I 4.7448 8.7226 123.9553 59.5507 41.3067 175.2895 84 S 4.6847 8.6268 121.3111 58.0024 64.4923 173.1815 85 A 4.3666 8.2116 124.8955 52.2532 18.4269 177.7120 86 S 4.4098 9.0526 118.4648 60.4481 63.1484 174.2991 87 K 4.7867 7.5968 116.5090 55.6543 36.0636 174.8096 88 S 5.1473 8.7269 116.4662 56.9293 66.4167 173.6309 89 I 4.4961 9.3281 125.6217 59.5631 39.0831 175.0997 90 V 4.2376 8.3584 127.3162 61.9396 32.7933 175.3546 91 H 3.9086 8.5810 126.1688 55.7177 30.1201 174.6253 92 P 4.3082 0.0000 0.0000 65.3605 31.3279 177.1971 93 S 4.7015 7.9161 111.8206 58.1517 63.0134 173.3197 94 Y 4.3329 7.8626 122.5853 57.6189 39.0164 174.8415 95 N 4.5146 8.1340 125.1545 51.4299 40.2684 175.0767 96 S 3.9113 7.9509 120.4276 59.9103 63.5979 174.8020 97 N 4.4556 8.4556 119.1209 54.7508 38.8214 175.9660 98 T 4.0713 7.7442 105.6827 60.6108 70.2844 174.8709 99 L 3.8510 7.8867 120.6694 55.4306 39.7648 173.9891 100 N 4.4897 7.7945 117.0416 54.6496 39.5492 174.4419 101 N 5.0751 8.6540 119.0103 54.0704 36.3861 175.4695 102 D 4.6727 7.7528 117.5783 53.0965 40.0273 174.4882 103 I 4.9231 7.0614 120.7647 59.3638 42.4998 173.3240 104 M 5.4056 9.1318 126.5182 54.1837 36.2828 173.2880 105 L 5.3679 9.1382 124.5342 53.1516 45.1275 175.3737 106 I 4.9582 8.9002 123.2470 59.4468 40.5299 174.3617 107 K 3.7390 8.6041 128.6117 54.6130 33.7158 175.4771 108 L 4.4691 8.1377 127.2410 53.6956 42.3272 176.9185 109 K 4.1418 8.7788 124.4844 59.0265 32.5665 176.9928 110 S 4.6616 7.7063 111.0160 55.8290 66.2372 173.0845 111 A 4.4567 8.3156 122.5610 51.9282 18.8076 177.3919 112 A 4.3806 8.8460 123.1367 51.7946 19.9249 177.2397 113 S 4.6209 9.0072 116.4017 57.2258 63.7617 174.6755 114 L 4.6421 8.5186 125.3211 54.3276 42.8419 176.5931 115 N 4.6887 8.7797 118.1781 52.9256 39.6506 175.1120 116 S 4.3197 8.7504 110.8257 60.5971 63.4636 175.0909 117 R 4.1886 8.9280 120.3010 56.8035 30.7377 175.8803 118 V 4.5750 7.6702 117.3572 60.9001 33.1968 173.6999 119 A 5.1573 8.5242 128.0840 50.2545 22.9224 175.1521 120 S 5.0142 8.7182 114.2573 57.6689 65.0211 172.9998 121 I 4.5066 8.1083 120.5450 59.2451 39.9244 175.3993 122 S 4.4815 8.3360 122.7013 57.8862 63.8351 174.0126 123 L 4.3862 8.0808 122.9374 53.4168 42.4725 175.1352 124 P 4.6250 0.0000 0.0000 62.6905 32.5831 175.9200 125 T 4.2479 8.1871 107.5869 62.0694 70.4806 174.3251 *127 S 5.0065 7.5887 114.4152 58.2144 63.9864 173.6880 128 C 4.4898 8.3894 117.8989 56.3326 40.9719 173.1594 129 A 4.5717 7.9190 123.6975 51.0591 20.5544 176.8767 130 S 4.4048 7.9794 114.9957 56.9995 64.9334 173.6114 *132 A 4.2335 8.1335 123.8021 53.3139 19.2206 176.5911 133 G 4.0415 8.9804 109.1952 45.5182 0.0000 174.7349 134 T 3.9397 7.5261 116.9308 63.9542 69.4263 173.5810 135 Q 4.7538 8.5738 125.0792 55.3920 30.0593 175.7359 136 C 5.2355 9.2988 120.2426 55.0903 46.6902 172.3849 137 L 5.1472 8.9686 122.7453 53.5691 43.9794 175.0233 138 I 5.3013 9.0820 127.3870 58.8146 40.0000 174.8667 139 S 4.9507 9.1331 119.4136 56.0107 66.7594 173.0581 140 G 3.9410 7.1125 109.1468 45.8021 0.0000 172.6017 141 W 4.7533 8.4279 117.4393 56.3049 29.4341 177.1610 142 G 4.1721 8.2713 108.9284 44.0752 0.0000 173.5365 143 N 3.7998 8.8073 118.1314 54.5372 38.8927 174.4690 144 T 5.1357 8.2489 113.1652 60.4667 69.4002 174.2333 145 K 4.6420 7.8020 121.1047 54.8575 34.8345 176.2460 146 S 4.3616 8.6231 116.6641 59.4145 63.7127 174.2070 147 S 4.3972 7.8467 114.8103 57.9712 62.8321 172.3870 148 G 3.9597 8.3171 113.2344 44.4457 0.0000 170.7107 149 T 4.5568 8.1850 109.3375 59.7739 70.9655 174.2895 150 S 4.3434 9.1055 120.7504 57.3782 65.1034 171.7334 151 Y 4.8656 8.5896 125.2769 55.8622 39.2671 174.2611 152 P 4.7803 0.0000 0.0000 62.0338 33.4264 175.5407 153 D 4.6125 8.6914 118.1734 56.1687 41.4625 177.1617 154 V 5.7915 7.3876 109.7987 58.4307 34.5647 175.8154 155 L 3.1588 8.2319 124.5519 55.1298 42.9047 176.0348 156 K 4.9071 8.1781 124.8157 54.8377 35.3279 174.5206 157 C 5.2404 8.4777 119.4764 55.2243 43.0875 172.9246 158 L 4.9483 8.4700 122.0320 53.8673 45.6504 174.3023 159 K 5.1746 8.9458 125.1108 54.9651 33.8518 175.6444 160 A 4.8665 9.0068 126.0549 49.6697 23.0800 173.4874 161 P 5.0077 0.0000 0.0000 62.0392 33.7390 175.3477 162 I 4.2320 8.3683 122.7255 61.4655 38.1300 175.8124 163 L 4.8663 8.8037 127.2340 53.1242 43.5974 176.7677 164 S 4.3890 8.3908 114.6571 58.0711 64.0075 175.1136 165 D 4.4289 8.7123 121.7690 57.5316 40.5074 179.2260 166 S 4.1311 8.0241 114.3808 61.6824 63.0650 176.6710 167 S 4.1202 8.0397 118.5400 61.0993 62.5387 175.8278 168 C 4.2837 8.2036 121.2254 59.8783 42.4687 175.9669 169 K 3.9809 8.3858 120.1308 59.4450 31.3415 179.6385 170 S 4.2052 8.1316 114.8607 61.1976 62.7824 176.1933 171 A 3.9729 7.7697 123.0108 53.9257 19.7484 177.5400 172 Y 4.8962 7.7730 113.9508 55.3187 38.0256 173.5489 173 P 4.6141 0.0000 0.0000 63.6000 32.0233 178.0536 174 G 3.9822 8.9911 109.6079 45.9944 0.0000 173.6305 175 Q 4.5200 8.1778 116.9492 55.5492 29.7630 175.2747 176 I 4.4929 7.7980 119.8096 59.8534 38.6823 175.2310 177 T 4.6103 8.2003 115.1102 59.6657 71.0961 174.8101 178 S 4.4859 8.5521 113.9734 59.7130 63.2720 174.1385 179 N 5.0088 8.1787 118.3276 53.4077 38.6333 173.7658 180 M 5.5894 7.8316 116.9652 53.8748 36.1845 174.6098 181 F 5.0932 8.6032 114.6635 55.9823 42.0681 172.4945 182 C 5.5105 9.0586 116.7331 55.7752 41.7290 172.6003 183 A 5.0398 9.1812 122.0869 51.0627 22.6349 176.8175 184 G 3.9460 6.7867 106.5907 44.5553 0.0000 172.3442 184A Y 4.5780 8.3188 119.5921 55.9705 40.0333 176.4446 185 L 4.0874 8.5675 126.1483 57.0347 41.9440 178.9113 186 E 4.1370 8.2196 115.1277 56.8603 30.0903 177.1268 187 G 3.8224 7.8218 106.9162 45.2923 0.0000 172.4996 188 G 4.1127 9.4237 105.8092 44.7496 0.0000 173.6342 188A K 5.5188 7.2303 117.0258 53.8323 35.6893 175.2526 189 D 4.6338 8.3928 122.5771 53.9488 44.8093 174.5780 190 S 5.0312 8.7708 116.6415 58.0023 65.3620 172.9379 191 C 4.7501 9.0769 118.4046 55.4400 43.6124 172.1660 192 Q 4.4531 8.5981 120.9772 57.8334 28.9318 176.6846 193 G 4.5322 9.2428 112.4574 46.0053 0.0000 174.2529 194 D 4.6713 8.4398 118.5619 55.4877 41.6281 176.7271 195 S 4.4043 8.1222 115.2032 60.5693 63.3534 175.3980 196 G 4.0342 8.8599 112.8562 46.4045 0.0000 173.7190 197 G 4.4683 7.8065 107.4836 44.8590 0.0000 171.0957 198 P 5.1816 0.0000 0.0000 62.2524 33.5934 175.7698 199 V 4.5796 8.3569 120.9821 61.4467 34.3406 174.0112 200 V 4.8589 8.6952 128.6518 61.2168 34.1478 173.6689 201 C 5.1361 8.7084 124.3751 55.7762 43.9645 174.5485 202 S 3.6896 9.7814 119.4149 59.7209 60.1687 173.0790 203 G 3.9307 8.3924 103.4374 45.9024 0.0000 173.8697 204 K 4.6893 7.6622 117.6553 52.9228 35.2821 175.5608 *209 L 4.2832 8.2711 122.5925 55.4497 42.2744 175.8160 210 Q 4.5418 8.7335 125.9483 56.5896 30.9462 175.8389 211 G 5.3345 8.0271 104.4119 45.6886 0.0000 171.3777 212 I 5.0209 8.1386 119.4665 58.8702 41.1252 175.4040 213 V 3.8315 8.8474 127.2270 63.8398 31.7968 174.0912 214 S 4.8540 8.5243 120.8622 58.5735 64.4530 174.3207 215 W 5.0266 7.5150 114.1547 56.1078 32.0092 172.2930 216 G 3.9694 8.3930 105.8441 46.6356 0.0000 173.3920 217 S 4.7210 8.3331 116.8425 56.8468 63.3849 173.7093 *219 G 4.2513 8.0209 115.8906 45.5975 0.0000 170.9988 220 C 4.9690 8.1650 115.4559 56.5384 45.2858 173.7777 221 A 4.0110 9.1001 125.6811 53.1615 16.7378 176.9131 221A Q 4.6432 7.3142 117.4992 56.0236 29.9660 175.9693 222 K 4.1687 8.4423 121.9912 58.0135 32.6462 176.4780 223 N 4.2449 9.2731 121.4803 53.8671 36.9823 175.1888 224 K 4.2479 7.5116 118.0091 53.3944 32.1379 173.8262 225 P 4.6259 0.0000 0.0000 62.0422 32.9565 176.6713 226 G 3.7258 8.4806 106.5875 45.9189 0.0000 172.8183 227 V 4.3414 7.6078 121.6386 60.6839 34.1382 174.1168 228 Y 4.8973 8.1135 124.1085 55.9812 42.1850 174.9506 229 T 4.3645 8.4895 119.4712 63.5958 70.1318 174.4137 230 K 5.1012 9.1671 128.1239 55.2418 31.2769 177.0924 231 V 3.9363 8.7538 125.9395 65.9279 31.3839 174.8557 232 C 4.3689 8.3593 112.6085 58.4299 41.4175 174.9467 233 N 4.2143 7.9993 116.8124 54.5446 38.5399 175.5835 234 Y 4.7627 8.0412 117.5719 57.3982 38.8525 177.2968 235 V 3.6960 7.8980 120.9158 66.3990 31.5752 177.9465 236 S 4.1377 8.1014 114.2461 61.2141 62.7542 176.3155 237 W 4.1478 8.2870 130.5917 60.4776 30.5202 177.7648 238 I 3.2200 8.2582 119.9023 64.2771 36.6209 178.4055 239 K 3.7381 8.0581 119.0554 59.6250 31.9445 179.4538 240 Q 3.8756 8.2826 118.4202 59.2593 28.4207 179.0353 241 T 3.5517 7.4968 115.6935 66.4897 68.7413 176.5611 242 I 2.7245 7.2427 121.5066 63.8232 36.7455 178.2423 243 A 3.9785 7.5088 120.7981 54.7605 18.2426 178.8558 244 S 4.5860 7.6135 109.5606 58.4228 63.4785 174.1226 245 N 4.6721 7.9903 125.3072 53.9158 39.3702 174.0403 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 16 I 7.88 4.30 1.80 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 1.41 0.56 0.91 0.00 0.00 17 V 8.47 4.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 18 G 8.45 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.73 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.72 4.96 0.00 2.92 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 21 T 8.57 4.36 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 1.23 0.00 0.00 22 C 8.65 4.33 0.00 2.75 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 23 G 8.68 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.70 4.21 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 25 N 8.84 4.25 0.00 2.84 2.89 0.00 0.00 7.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.61 4.18 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 1.33 0.00 0.00 27 V 7.05 4.05 1.76 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 0.35 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.52 0.00 2.37 2.44 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 29 Y 6.76 4.89 0.00 3.17 3.38 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 30 Q 7.28 4.56 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 1.90 2.52 0.00 31 V 8.85 4.85 2.12 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 0.89 0.00 0.00 1.00 0.00 0.00 32 S 8.69 4.93 0.00 2.91 3.27 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 33 L 8.43 4.59 0.00 0.55 0.82 0.77 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.98 5.85 0.00 2.41 2.33 0.00 0.00 6.54 8.01 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 *37 S 8.41 4.25 0.00 3.76 3.63 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 38 G 9.91 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 39 Y 6.71 4.52 0.00 3.01 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 40 H 8.86 4.59 0.00 2.84 3.16 0.00 5.86 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 41 F 7.89 4.95 0.00 2.99 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 42 C 6.80 4.73 0.00 2.29 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 43 G 8.52 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.03 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.84 5.46 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 46 L 9.16 4.64 0.00 1.87 1.67 1.09 0.98 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 47 I 8.50 4.49 1.90 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 1.57 0.90 1.01 0.00 0.00 48 N 7.55 4.77 0.00 3.01 3.01 0.00 0.00 6.14 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 49 S 8.61 4.25 0.00 4.05 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 0.00 50 Q 9.17 4.52 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 51 W 8.34 5.55 0.00 3.46 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.99 5.16 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 1.15 0.00 0.00 0.98 0.00 0.00 53 V 8.69 4.92 2.17 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 0.71 0.00 0.00 1.01 0.00 0.00 54 S 8.91 5.06 0.00 3.88 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 55 A 8.74 4.79 1.19 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 0.00 0.00 0.00 56 A 8.28 3.79 0.17 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 0.00 0.00 57 H 8.30 4.55 0.00 3.36 3.55 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.89 4.74 0.00 3.19 3.30 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 59 Y 7.83 4.13 0.00 2.99 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 60 K 6.21 3.66 0.00 1.51 1.38 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.63 0.86 7.81 61 S 8.22 4.31 0.00 3.94 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 62 G 8.28 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.34 4.56 1.84 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 1.38 0.76 0.91 0.00 0.00 64 Q 8.82 4.79 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 65 V 8.84 4.32 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 0.85 0.00 0.00 0.89 0.00 0.00 65A R 8.80 5.05 0.00 1.65 1.72 0.00 2.67 0.00 0.00 2.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.15 0.00 66 L 8.87 4.72 0.00 1.65 1.62 0.96 0.63 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 *69 G 8.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.44 4.65 0.00 2.10 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 2.36 2.08 0.00 71 D 8.07 4.74 0.00 2.72 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 72 N 7.95 5.26 0.00 2.82 2.74 0.00 0.00 6.77 7.86 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 73 I 8.28 3.90 1.45 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 1.22 0.56 -0.47 0.00 0.00 74 N 8.56 4.78 0.00 2.83 2.88 0.00 0.00 6.64 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.36 4.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 76 V 8.39 4.16 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 0.76 0.00 0.00 0.97 0.00 0.00 77 E 9.72 4.54 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 78 G 8.75 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 9.00 4.60 0.00 2.93 3.12 0.00 0.00 7.01 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.64 4.60 0.00 1.56 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 81 Q 8.98 4.44 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 82 F 8.82 5.63 0.00 2.80 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 83 I 8.72 4.74 1.87 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 1.25 0.69 0.95 0.00 0.00 84 S 8.63 4.68 0.00 3.75 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 85 A 8.21 4.37 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.05 4.41 0.00 3.73 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 87 K 7.60 4.79 0.00 1.87 1.86 0.00 1.54 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 88 S 8.73 5.15 0.00 4.07 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 89 I 9.33 4.50 2.05 0.00 0.00 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 1.25 0.94 1.08 0.00 0.00 90 V 8.36 4.24 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 0.64 0.00 0.00 0.78 0.00 0.00 91 H 8.58 3.91 0.00 2.83 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.31 0.00 2.06 2.13 0.00 3.12 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 2.11 2.22 0.00 93 S 7.92 4.70 0.00 3.92 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 94 Y 7.86 4.33 0.00 2.95 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 95 N 8.13 4.51 0.00 2.61 2.46 0.00 0.00 6.58 6.82 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 96 S 7.95 3.91 0.00 3.94 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 97 N 8.46 4.46 0.00 2.73 2.79 0.00 0.00 6.75 7.00 0.00 0.00 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 T 7.74 4.07 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 1.15 0.00 0.00 99 L 7.89 3.85 0.00 1.58 1.95 0.76 1.10 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 0.00 100 N 7.79 4.49 0.00 2.82 2.66 0.00 0.00 7.26 6.58 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 0.00 101 N 8.65 5.08 0.00 3.05 2.61 0.00 0.00 7.24 8.30 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 0.00 102 D 7.75 4.67 0.00 3.20 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 0.00 103 I 7.06 4.92 1.44 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 1.32 1.24 0.12 0.00 0.00 104 M 9.13 5.41 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 105 L 9.14 5.37 0.00 1.80 1.86 0.28 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.90 4.96 1.91 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 1.05 0.91 0.00 0.00 107 K 8.60 3.74 0.00 0.79 1.09 0.00 1.34 0.00 0.00 1.35 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.67 0.21 7.81 108 L 8.14 4.47 0.00 1.49 1.53 0.97 0.79 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 0.00 109 K 8.78 4.14 0.00 1.76 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.35 7.81 110 S 7.71 4.66 0.00 3.93 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 0.00 111 A 8.32 4.46 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.85 4.38 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.01 4.62 0.00 3.74 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 0.00 114 L 8.52 4.64 0.00 1.66 1.62 0.96 1.07 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 0.00 115 N 8.78 4.69 0.00 2.87 2.89 0.00 0.00 6.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.75 4.32 0.00 4.01 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 0.00 117 R 8.93 4.19 0.00 2.02 2.02 0.00 3.09 0.00 0.00 3.19 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.59 5.01 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.39 4.49 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.92 4.57 1.04 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 0.00 130 S 7.98 4.40 0.00 3.83 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 *132 A 8.13 4.23 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.98 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 0.00 134 T 7.53 3.94 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 1.14 0.00 0.00 135 Q 8.57 4.75 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 136 C 9.30 5.24 0.00 2.74 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 0.00 137 L 8.97 5.15 0.00 1.76 1.57 1.04 1.15 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 0.00 138 I 9.08 5.30 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.81 1.02 0.00 0.00 139 S 9.13 4.95 0.00 3.50 3.60 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 0.00 140 G 7.11 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 0.00 141 W 8.43 4.75 0.00 3.15 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.27 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 0.00 0.00 0.00 143 N 8.81 3.80 0.00 2.29 2.66 0.00 0.00 7.03 7.91 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 0.00 144 T 8.25 5.14 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 1.28 0.00 0.00 145 K 7.80 4.64 0.00 1.84 1.68 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.29 1.31 7.81 146 S 8.62 4.36 0.00 4.00 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 0.00 147 S 7.85 4.40 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.32 3.96 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 0.00 149 T 8.18 4.56 4.42 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 1.32 0.00 0.00 150 S 9.11 4.34 0.00 3.76 3.63 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 0.00 151 Y 8.59 4.87 0.00 2.99 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 0.00 152 P 0.00 4.78 0.00 2.41 2.10 0.00 4.19 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 2.15 2.04 0.00 153 D 8.69 4.61 0.00 2.80 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.39 5.79 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 0.70 0.00 0.00 0.97 0.00 0.00 155 L 8.23 3.16 0.00 1.30 1.26 -0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.18 4.91 0.00 1.68 1.50 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 157 C 8.48 5.24 0.00 1.52 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 0.00 0.00 0.00 158 L 8.47 4.95 0.00 1.71 1.45 1.02 0.62 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 0.00 159 K 8.95 5.17 0.00 1.82 1.82 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 9.01 4.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.01 0.00 2.02 2.09 0.00 3.14 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 162 I 8.37 4.23 1.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.53 0.70 0.00 0.00 163 L 8.80 4.87 0.00 1.52 1.60 0.92 0.84 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 0.00 164 S 8.39 4.39 0.00 4.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.71 4.43 0.00 2.76 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 0.00 166 S 8.02 4.13 0.00 4.05 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 0.00 167 S 8.04 4.12 0.00 3.93 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 0.00 168 C 8.20 4.28 0.00 3.22 3.33 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 0.00 169 K 8.39 3.98 0.00 1.97 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.64 7.81 170 S 8.13 4.21 0.00 3.99 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 0.00 171 A 7.77 3.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.77 4.90 0.00 3.15 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 0.00 173 P 0.00 4.61 0.00 2.21 2.12 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 174 G 8.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.18 4.52 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.62 0.00 176 I 7.80 4.49 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.99 1.00 0.00 0.00 177 T 8.20 4.61 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 1.26 0.00 0.00 178 S 8.55 4.49 0.00 4.01 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 0.00 179 N 8.18 5.01 0.00 3.05 3.08 0.00 0.00 6.67 8.14 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 0.00 180 M 7.83 5.59 0.00 1.79 1.99 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 2.64 2.59 0.00 181 F 8.60 5.09 0.00 2.97 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 0.00 182 C 9.06 5.51 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.18 5.04 1.19 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 0.00 0.00 0.00 184 G 6.79 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A Y 8.32 4.58 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 0.00 185 L 8.57 4.09 0.00 1.73 1.73 0.91 0.85 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 0.00 186 E 8.22 4.14 0.00 2.10 2.12 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 2.32 2.27 0.00 187 G 7.82 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 0.00 188 G 9.42 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 0.00 0.00 0.00 188A K 7.23 5.52 0.00 1.43 1.63 0.00 0.84 0.00 0.00 2.02 0.00 0.00 2.41 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.00 7.81 189 D 8.39 4.63 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.77 5.03 0.00 4.01 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 0.00 191 C 9.08 4.75 0.00 2.96 3.09 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 0.00 192 Q 8.60 4.45 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 5.50 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 193 G 9.24 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 0.00 194 D 8.44 4.67 0.00 2.99 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 0.00 195 S 8.12 4.40 0.00 3.98 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 0.00 196 G 8.86 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.81 4.47 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 0.00 198 P 0.00 5.18 0.00 2.28 2.32 0.00 3.70 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 2.25 2.26 0.00 199 V 8.36 4.58 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 0.82 0.00 0.00 0.62 0.00 0.00 200 V 8.70 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.55 0.00 0.00 201 C 8.71 5.14 0.00 2.81 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 0.00 202 S 9.78 3.69 0.00 3.93 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 0.00 203 G 8.39 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 0.00 0.00 0.00 204 K 7.66 4.69 0.00 1.71 1.64 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.40 7.81 *209 L 8.27 4.28 0.00 1.51 1.64 0.96 0.74 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 0.00 210 Q 8.73 4.54 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.35 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 8.03 5.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.14 5.02 1.91 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 1.29 1.11 0.97 0.00 0.00 213 V 8.85 3.83 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.19 0.00 0.00 214 S 8.52 4.85 0.00 3.88 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 0.00 215 W 7.51 5.03 0.00 3.33 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 0.00 216 G 8.39 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 0.00 0.00 0.00 217 S 8.33 4.72 0.00 4.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *219 G 8.02 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 0.00 0.00 0.00 220 C 8.16 4.97 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 A 9.10 4.01 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 221A Q 7.31 4.64 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 222 K 8.44 4.17 0.00 1.72 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.48 7.81 223 N 9.27 4.24 0.00 2.82 2.84 0.00 0.00 6.78 7.47 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 0.00 224 K 7.51 4.25 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.41 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 225 P 0.00 4.63 0.00 2.14 2.10 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 226 G 8.48 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 0.00 227 V 7.61 4.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 -0.77 0.00 0.00 228 Y 8.11 4.90 0.00 1.43 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 0.00 0.00 0.00 0.00 229 T 8.49 4.36 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 1.22 0.00 0.00 230 K 9.17 5.10 0.00 2.11 1.90 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.67 7.81 231 V 8.75 3.94 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 1.15 0.00 0.00 1.14 0.00 0.00 232 C 8.36 4.37 0.00 3.17 3.24 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 0.00 233 N 8.00 4.21 0.00 2.34 2.40 0.00 0.00 6.96 7.14 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 0.00 234 Y 8.04 4.76 0.00 3.08 3.19 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 0.00 235 V 7.90 3.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.12 0.00 0.00 236 S 8.10 4.14 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 0.00 237 W 8.29 4.15 0.00 3.48 3.60 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 0.00 238 I 8.26 3.22 2.06 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 1.70 0.99 0.79 0.00 0.00 239 K 8.06 3.74 0.00 1.97 1.79 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 240 Q 8.28 3.88 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 241 T 7.50 3.55 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 0.71 0.00 0.00 242 I 7.24 2.72 1.43 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 0.38 0.00 0.00 243 A 7.51 3.98 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 0.00 244 S 7.61 4.59 0.00 4.02 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 0.00 245 N 7.99 4.67 0.00 3.04 3.02 0.00 0.00 6.73 7.19 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 * Residues marked with a * may have inaccurate shift predictions.