NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2461 7.8827 121.4560 61.1896 38.2161 174.0342 17 V 4.2061 8.0694 126.7079 61.4297 32.5128 174.2569 18 G 3.8370 9.0189 116.8838 46.3589 0.0000 172.4682 19 G 4.0008 8.4930 111.8602 45.1109 0.0000 172.4927 20 Q 4.6273 7.9707 116.8428 54.7130 31.9114 174.1013 21 E 4.8517 8.5099 120.4391 55.1436 32.3918 177.7525 22 C 4.4168 9.1748 124.6153 56.8209 39.5871 174.0289 23 K 4.1839 9.1100 124.3616 55.3393 32.4275 176.4730 24 D 4.3201 8.4947 119.7433 56.4403 41.0233 177.2984 25 G 3.8933 8.8044 114.3486 45.5896 0.0000 174.0210 26 E 3.8725 8.1887 119.4612 58.6675 29.9091 176.8430 27 C 4.1559 7.2175 114.2588 54.7137 41.0506 173.1514 28 P 3.7466 0.0000 0.0000 64.2125 31.8263 178.4005 29 W 5.0609 5.8257 114.6016 55.9136 28.9709 175.6851 30 Q 4.5422 7.2033 120.9441 56.5953 28.9371 175.2162 31 A 5.0315 8.7041 126.0633 50.1218 23.3782 174.8686 32 L 4.8341 8.7440 120.7306 53.3035 45.3504 175.6040 33 L 4.8278 8.3976 127.6333 54.5693 42.9170 176.3290 34 I 5.1891 9.0238 117.0465 59.2565 41.0472 175.3087 35 N 5.3795 9.4586 123.3944 51.4406 38.8752 175.6564 36 E 3.9448 8.9004 116.0330 59.8098 29.2686 178.3144 37 E 4.0824 8.2590 114.0069 56.5104 29.0195 176.9593 38 N 4.3038 8.7223 114.9729 53.6447 37.3945 174.4590 39 E 4.1841 8.9682 119.2372 55.9760 30.2333 176.0327 40 G 4.2266 8.5351 111.6611 44.5213 0.0000 173.2742 41 F 5.0305 8.2395 119.1515 57.1498 41.0695 174.0865 42 C 5.3974 6.5885 115.1445 55.1789 45.3272 172.3309 43 G 4.5647 9.3489 108.3275 45.0363 0.0000 171.7888 44 G 4.3660 8.1212 105.3794 45.8912 0.0000 172.3572 45 T 5.2509 8.3616 115.3269 61.7443 72.6851 173.9238 46 I 4.3856 8.8933 128.0113 61.0939 37.3909 176.7725 47 L 4.2630 8.6491 128.2110 55.7184 42.0026 176.5404 48 S 4.8044 7.3731 111.3372 58.0402 65.1338 176.2996 49 E 4.0066 8.7977 116.9995 58.5213 29.5563 177.5521 50 F 4.5983 8.1375 116.3260 56.9496 42.0464 174.2471 51 Y 5.2842 8.2121 116.8323 56.0754 41.2895 174.7302 52 I 5.0702 9.6421 124.6765 59.4424 40.9819 174.3354 53 L 4.9563 9.0469 128.4236 54.0718 43.9005 174.8836 54 T 4.8291 9.0714 121.6338 60.0976 71.1788 172.6901 55 A 4.2781 8.2521 123.8897 51.2809 20.0679 178.2575 56 A 3.6075 7.9133 121.1428 54.6989 18.2844 179.6669 57 H 3.5626 7.5334 113.0180 57.8230 28.5377 176.5854 58 C 4.5812 6.9773 117.9275 58.1928 40.1613 173.5577 59 L 4.6573 7.1137 120.3923 55.1473 42.0221 176.7401 60 Y 4.8196 7.6153 113.4060 60.1360 40.6686 177.5020 61 Q 4.1719 8.1539 116.7177 53.9527 26.3702 174.7976 61A A 4.3499 6.4586 122.9147 52.0448 20.7154 175.5046 62 K 4.4049 7.9768 117.6430 57.1246 34.2371 175.5808 63 R 4.8486 7.6935 119.2286 54.4001 32.8915 174.5912 64 F 5.3349 8.2429 117.4355 55.8255 41.1054 173.2180 65 K 4.6953 9.4612 120.3171 54.7350 35.7659 175.1298 66 V 4.8923 8.5417 120.2834 60.0970 33.9711 174.7357 67 R 5.1727 9.0039 125.2050 54.7028 32.9383 174.8380 68 V 4.7511 8.4566 116.9505 60.8266 36.0187 176.8294 69 G 4.2899 9.1156 110.2744 46.0769 0.0000 173.5785 70 D 4.5797 7.7619 119.1475 54.4660 42.1157 175.6416 71 R 4.8646 9.5027 122.3964 55.6128 33.1522 174.2776 72 N 4.9677 8.6785 118.2797 51.3123 41.9062 176.1045 73 T 3.9300 8.8227 124.0199 59.8689 67.6433 174.6836 74 E 5.7129 7.4073 119.9820 57.2419 32.4510 177.1629 75 Q 4.1779 7.8638 119.0114 55.7370 31.4037 173.8035 76 E 4.0086 8.7202 125.5966 56.8516 28.4011 176.0216 77 E 4.2152 10.6468 124.2425 55.6480 29.7387 180.0088 78 G 3.9459 8.6890 109.3003 46.3388 0.0000 175.1314 79 G 3.9435 8.0697 107.7447 45.4129 0.0000 173.4326 80 E 4.8274 8.0571 119.4367 54.7686 31.5693 175.5723 81 A 4.3305 7.8847 117.8484 51.7679 21.9669 175.5109 82 V 4.7035 8.5704 122.4717 61.6347 33.6721 174.6694 83 H 4.9804 9.0755 123.5616 54.0832 32.7945 173.3362 84 E 4.5230 8.7180 121.4528 55.7603 31.8582 175.3202 85 V 4.0468 7.8430 120.7268 61.6061 31.8804 175.0528 86 E 4.1477 8.8286 130.0690 58.9928 30.0209 177.2280 87 V 4.7487 7.6170 111.2724 59.4756 36.6500 174.1685 88 V 4.6594 8.4425 122.2284 60.2579 33.6377 175.4772 89 I 4.3804 8.6027 127.3193 59.5795 37.4288 174.7148 90 K 4.6764 8.4507 127.5871 55.5222 33.7286 175.1949 91 H 4.4740 8.3076 124.2613 55.9275 30.3921 176.0914 92 N 4.4268 9.0368 123.3921 56.6886 38.5836 176.3855 93 R 3.9256 7.7758 113.4482 56.6735 30.2412 176.5337 94 F 4.7869 7.8483 120.6401 57.8876 40.2218 174.3227 95 T 3.7537 6.4265 113.5174 60.1841 70.5570 174.5730 96 K 3.9922 8.0580 122.3316 59.2517 33.1874 178.9076 97 E 3.8051 8.0484 116.9598 58.4610 29.6552 177.5629 98 T 4.2687 6.9914 106.1878 60.4951 70.6694 174.5481 99 Y 3.6358 8.2577 117.0679 58.0182 36.0948 168.9322 100 D 4.5631 8.0432 120.4152 55.3583 41.8905 175.7906 101 F 3.5668 8.4881 121.0408 58.7003 35.8675 176.0080 102 D 4.2645 8.1144 121.2404 53.9006 40.6864 174.4657 103 I 4.3390 7.3754 121.8326 59.8768 41.5509 172.3449 104 A 5.2577 8.8750 129.1534 50.8959 23.3493 175.1015 105 V 4.9851 9.1335 120.3954 61.1787 34.6246 174.2746 106 L 4.8547 9.5477 129.1511 53.5557 43.6564 175.4034 107 R 4.5152 8.3729 124.7001 54.4274 31.3767 175.7166 108 L 4.5915 9.1115 128.1568 54.7401 41.9160 177.5071 109 K 4.3714 8.6195 123.1787 58.8532 32.8639 177.3795 110 T 4.7139 7.7871 108.7174 59.0230 71.5520 171.3567 111 P 3.3878 0.0000 0.0000 62.7620 31.8198 175.8188 112 I 3.8678 8.8437 126.9929 61.3785 37.7796 175.9191 113 T 4.1240 8.4361 118.0824 59.8904 69.2249 174.6690 114 F 5.1974 8.2981 125.8377 57.5637 39.9703 175.4563 115 R 4.5202 8.1369 119.7951 55.6588 31.2798 173.1750 116 M 4.2082 8.5368 117.4104 57.6792 32.8692 176.5194 117 N 4.2066 9.4279 120.9658 53.7943 36.2642 174.4275 118 V 4.3732 7.6234 119.3209 61.8149 32.9320 172.4665 119 A 4.6174 8.6006 126.7222 48.9351 23.2426 172.9064 120 P 5.1703 0.0000 0.0000 61.5598 33.5569 174.7679 121 A 4.3712 8.5022 122.4576 50.7349 21.0629 176.4778 122 C 4.4901 7.6954 115.7634 58.7829 30.1336 173.3898 123 L 4.7480 8.5358 123.3855 53.0873 41.7927 175.1756 124 P 4.7149 0.0000 0.0000 61.4316 33.2313 175.5435 124A E 4.2925 8.3693 118.0234 56.2015 31.5804 175.4833 125 R 3.8531 8.7346 122.2819 59.5373 29.9424 178.0618 126 D 4.3319 8.2385 117.2986 57.6031 41.1394 179.0938 127 W 4.0311 10.3876 128.4504 59.9815 30.5777 178.0917 128 A 3.4733 8.0619 120.8656 55.1476 17.6881 179.4419 129 E 3.6233 7.8475 115.7050 59.4004 29.5315 179.3758 130 S 4.0360 7.5965 112.1859 60.8609 62.6637 175.3920 131 T 3.9839 7.1447 115.2282 63.5473 69.8368 175.9099 131A L 3.8556 7.1049 121.4731 56.9740 41.7948 178.1430 131B M 2.8499 7.3902 115.2661 55.5837 31.7947 177.0271 132 T 4.0073 6.8362 107.8365 61.0686 69.9463 174.5801 133 Q 4.0407 7.4166 123.8680 55.6620 29.3737 175.3376 134 K 3.9838 8.2897 121.1471 58.4724 32.5292 178.2206 135 T 4.8599 7.5265 108.8371 60.2718 72.0396 171.9749 136 G 4.0386 8.1518 107.7676 45.0698 0.0000 171.4454 137 I 5.1043 8.8963 120.3822 59.3638 40.0339 175.4912 138 V 5.0684 8.9767 127.5448 59.3580 33.7848 175.1250 139 S 5.0424 8.7507 116.4744 56.5066 66.6224 173.1276 140 G 3.8127 7.6831 107.4658 46.8423 0.0000 172.5688 141 F 5.0724 7.9721 116.0919 57.0461 40.3848 176.4640 142 G 4.2103 9.0113 107.8265 46.2488 0.0000 173.3970 143 R 4.5156 8.4706 119.1281 56.4304 30.4504 177.4699 144 T 4.5368 8.7563 115.1560 63.9527 69.9744 174.4905 145 H 4.9816 7.3766 115.0410 54.2005 31.6932 173.5816 *147 E 4.2918 8.6973 120.2781 56.2970 30.8007 177.4431 148 K 4.6104 8.1743 115.0317 56.3479 33.1188 177.5009 149 G 3.8977 7.5256 112.4496 44.8809 0.0000 173.9354 150 R 4.6644 7.9973 116.2306 53.5553 32.6815 174.4193 151 Q 3.8530 8.5523 119.4620 56.4337 29.5826 176.6449 152 S 4.5100 9.2323 120.3195 58.5179 63.1657 173.8225 153 T 4.6878 8.4766 113.7265 62.9146 70.2615 174.9493 154 R 5.0257 7.9047 119.0220 54.4705 32.6103 175.7692 155 L 4.2004 8.5828 123.2027 54.4444 43.3305 175.7769 156 K 5.1867 8.6007 125.3963 54.7930 35.9344 174.9514 157 M 5.1982 8.3626 117.8021 53.5447 34.7868 173.8232 158 L 5.0094 9.3876 123.8967 53.1312 45.7303 174.6847 159 E 4.6024 9.0020 127.4114 55.9135 30.4169 175.8881 160 V 4.1484 8.5421 121.5738 58.6587 34.1536 173.7402 161 P 4.2619 0.0000 0.0000 63.0838 32.2222 175.5151 162 Y 4.4186 8.7840 120.4945 57.9202 39.1828 174.6496 163 V 4.2863 8.2569 122.8914 60.5499 33.8589 174.8341 164 D 4.2454 8.6353 126.2654 54.8723 41.4509 176.8787 165 R 3.8894 8.8052 126.3641 60.1727 30.3103 177.3013 166 N 4.3409 8.4644 116.1695 56.2661 38.9099 176.6544 167 S 4.1047 10.5224 116.1614 62.3420 63.1417 175.7364 168 C 3.8669 8.1181 119.9259 60.5359 43.0298 175.8770 169 K 3.9541 8.1032 119.9904 60.2032 31.8894 178.7727 170 L 4.1211 8.0848 118.5021 56.6906 41.6482 178.7262 171 S 4.2749 8.7716 117.4480 61.1044 63.1322 175.1376 172 S 4.7960 7.7087 116.1192 57.7823 62.9975 172.9909 173 S 4.7891 8.6512 114.4691 57.3582 63.2684 173.8233 174 F 4.8095 8.8965 117.8019 56.7945 42.8407 174.6777 175 I 3.8282 8.4931 124.3541 61.9470 35.8859 176.4447 176 I 4.2580 8.2062 127.2750 60.5781 35.5478 176.4236 177 T 4.2825 8.1655 116.9227 60.7846 69.7681 175.5627 178 Q 4.0533 8.4246 118.3017 58.5689 28.9380 176.5110 179 N 4.4398 7.8497 115.7164 53.8508 38.8447 173.6773 180 M 5.5424 7.5537 115.6313 53.7584 35.1100 174.5692 181 F 4.9999 8.8046 112.3494 55.9442 41.3875 173.4654 182 C 5.0619 9.0745 118.9531 57.2251 42.6017 172.7915 183 A 4.3839 8.3960 118.3796 50.6389 22.4098 174.8050 184 G 3.8810 7.3837 111.0880 45.1459 0.0000 172.5866 185 Y 4.9614 8.0103 122.6219 56.2120 41.7998 174.8034 185A D 4.2181 8.8396 121.5288 56.9889 41.9911 178.3346 185B T 4.0263 7.9583 107.9397 64.0146 69.8200 174.5930 186 K 3.9275 7.5029 122.0138 55.0304 33.6160 176.4549 187 Q 4.4143 8.2712 126.2359 54.7913 27.6561 175.9400 188 E 5.4317 7.3911 115.6760 54.4301 34.0296 176.0238 189 D 4.5327 8.5023 121.9830 54.0319 45.0881 173.5897 190 A 4.5876 8.2048 121.8368 53.2953 21.5990 175.6522 191 C 4.7509 7.7543 111.3113 56.8544 47.9855 173.4184 192 Q 4.2935 8.1699 119.6010 58.0026 29.3111 177.0828 193 G 4.4711 8.9771 111.7489 46.7369 0.0000 174.8132 194 D 4.6073 7.9557 117.8499 55.5938 41.0615 176.6842 195 S 4.4647 7.9621 116.0931 60.0246 63.3186 175.9809 196 G 3.6997 8.2246 110.7577 46.3202 0.0000 174.0283 197 G 4.0873 7.4967 107.2107 46.2131 0.0000 170.0875 198 P 5.1113 0.0000 0.0000 61.2911 34.0929 173.8751 199 H 5.1500 9.1474 122.8123 54.7064 31.9997 173.0979 200 V 5.5998 8.9232 119.1209 58.9644 35.3961 175.0667 201 T 4.8355 8.3249 119.3500 62.2312 70.9460 173.5108 202 R 4.3548 8.4568 124.6995 54.4578 31.8477 175.2442 203 F 4.7769 8.3252 126.9636 57.1398 40.7133 174.1662 204 K 3.9635 8.7200 129.3175 57.7728 28.5829 176.3564 205 D 4.4365 8.3701 113.3673 55.3649 37.7054 174.5123 206 T 4.4452 7.2061 115.6845 61.9131 71.1204 172.9575 207 Y 4.3465 8.4368 124.6812 57.6543 39.4549 174.9188 208 F 4.9915 8.9897 121.1579 55.5862 43.1356 175.1839 209 V 4.1355 8.9549 123.3168 62.9519 30.3482 175.3044 210 T 4.3837 8.6734 118.9232 63.4828 70.7953 174.8704 211 G 4.6488 8.5412 107.1159 45.0477 0.0000 172.0693 212 I 4.8502 8.3373 122.5728 59.0556 39.3857 175.5073 213 V 3.2427 8.2429 127.4706 64.1430 31.7218 174.0002 214 S 5.1360 8.6670 121.4005 58.2160 64.6231 173.9739 215 W 5.2476 7.8180 113.4935 55.5595 32.6263 173.3065 216 G 4.0299 8.4899 105.6525 46.1759 0.0000 173.4692 217 E 4.5732 9.0856 120.4305 55.8546 29.4153 177.3907 218 G 3.6636 8.2475 114.5923 44.6993 0.0000 171.5935 218 C 4.2536 8.2375 124.3923 57.7993 24.7502 171.2935 221 A 3.7820 9.0014 126.2757 52.9329 16.0962 177.0858 222 R 4.0821 7.7132 118.1945 56.9685 30.7425 176.6393 223 K 4.7700 7.9708 121.5294 57.6762 32.4712 177.0747 223A G 3.8614 9.0766 110.4880 45.6511 0.0000 173.3289 224 K 4.4394 7.4077 116.4886 54.4920 35.9604 174.7208 225 Y 4.8449 8.1127 117.7321 55.9100 42.4633 174.9214 226 G 3.7133 8.9552 107.9392 45.7724 0.0000 173.1452 227 I 4.2867 7.6958 127.4571 60.3170 38.2116 174.7727 228 Y 4.7696 8.3432 125.1891 56.0135 41.5862 175.2673 229 T 4.6051 8.8133 118.8670 63.0209 70.2910 174.1489 230 K 4.3760 9.6403 128.8291 56.6207 32.5581 177.7788 231 V 3.9025 8.9554 129.5332 66.1044 31.8985 178.1555 232 T 3.7850 8.1896 109.4930 64.8174 68.3509 174.8183 233 A 4.3345 7.4061 121.7029 52.0670 18.1126 177.7161 234 F 5.0758 8.5519 114.5558 57.1326 42.4095 176.4089 235 L 3.9436 7.4682 120.2753 58.3416 41.3684 179.1251 236 K 3.9210 8.2981 117.4365 59.7836 32.1835 179.0097 237 W 4.1526 8.2969 127.8419 60.6044 30.9784 178.0419 238 I 3.7552 8.5369 120.1462 64.4625 36.4393 178.0002 239 D 4.2240 8.2550 120.0743 57.0786 40.6546 178.4183 240 R 3.9323 7.7501 118.4338 58.5766 30.3929 177.5702 241 S 4.0268 7.2509 111.5640 60.8835 62.8264 175.7116 242 M 2.7123 7.3179 121.0195 57.6881 31.8145 178.1020 243 K 3.9823 8.2834 114.8470 56.4081 31.9845 173.5661 244 T 3.7425 7.2918 122.7202 62.9058 68.3621 172.0695 245 R 4.0615 8.2272 125.0376 57.1183 30.1604 173.7371 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 4.25 1.89 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 1.44 1.25 0.94 0.00 0.00 17 V 8.07 4.21 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 1.36 0.00 0.00 0.96 0.00 0.00 18 G 9.02 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.49 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 20 Q 7.97 4.63 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 21 E 8.51 4.85 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 22 C 9.17 4.42 0.00 2.74 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 23 K 9.11 4.18 0.00 1.99 1.69 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.50 7.81 24 D 8.49 4.32 0.00 2.60 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 25 G 8.80 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 26 E 8.19 3.87 0.00 1.87 1.86 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 2.27 2.27 0.00 27 C 7.22 4.16 0.00 2.60 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 28 P 0.00 3.75 0.00 2.00 1.96 0.00 2.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.40 0.00 29 W 5.83 5.06 0.00 3.52 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 30 Q 7.20 4.54 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 31 A 8.70 5.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.74 4.83 0.00 1.91 1.60 1.29 0.68 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 33 L 8.40 4.83 0.00 0.60 1.27 0.56 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.02 5.19 2.12 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 1.53 1.39 0.97 0.00 0.00 35 N 9.46 5.38 0.00 2.95 3.16 0.00 0.00 6.58 7.60 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 36 E 8.90 3.94 0.00 2.13 2.19 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 2.32 2.32 0.00 37 E 8.26 4.08 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 38 N 8.72 4.30 0.00 2.85 2.94 0.00 0.00 6.93 8.28 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 39 E 8.97 4.18 0.00 2.18 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 2.45 0.00 40 G 8.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.24 5.03 0.00 3.07 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 6.59 5.40 0.00 2.12 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.35 4.56 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 0.00 44 G 8.12 4.37 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 0.00 45 T 8.36 5.25 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 46 I 8.89 4.39 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 1.02 0.00 0.00 47 L 8.65 4.26 0.00 1.80 1.81 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.37 4.80 0.00 4.19 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 49 E 8.80 4.01 0.00 1.85 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 0.00 2.46 2.28 0.00 50 F 8.14 4.60 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.21 5.28 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 9.64 5.07 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.39 0.99 0.00 0.00 53 L 9.05 4.96 0.00 1.84 1.62 1.07 0.64 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 54 T 9.07 4.83 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 55 A 8.25 4.28 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 56 A 7.91 3.61 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.53 3.56 0.00 3.14 3.01 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 6.98 4.58 0.00 2.81 3.11 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 59 L 7.11 4.66 0.00 1.76 1.78 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.62 4.82 0.00 3.05 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 61 Q 8.15 4.17 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.22 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 61A A 6.46 4.35 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.98 4.40 0.00 1.71 1.79 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 63 R 7.69 4.85 0.00 1.78 1.79 0.00 3.33 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 64 F 8.24 5.33 0.00 3.54 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 9.46 4.70 0.00 1.70 1.89 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.51 7.81 66 V 8.54 4.89 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 0.85 0.00 0.00 1.00 0.00 0.00 67 R 9.00 5.17 0.00 1.91 1.94 0.00 3.04 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 68 V 8.46 4.75 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 0.97 0.00 0.00 1.08 0.00 0.00 69 G 9.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.76 4.58 0.00 2.72 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 71 R 9.50 4.86 0.00 1.98 1.91 0.00 3.26 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 72 N 8.68 4.97 0.00 2.67 2.78 0.00 0.00 6.78 7.13 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 73 T 8.82 3.93 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 0.35 0.00 0.00 74 E 7.41 5.71 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 75 Q 7.86 4.18 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.16 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 76 E 8.72 4.01 0.00 1.89 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 2.29 2.40 0.00 77 E 10.65 4.22 0.00 2.08 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 2.38 0.00 78 G 8.69 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 79 G 8.07 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 80 E 8.06 4.83 0.00 1.85 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 2.30 2.23 0.00 81 A 7.88 4.33 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 82 V 8.57 4.70 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 0.84 0.00 0.00 0.94 0.00 0.00 83 H 9.08 4.98 0.00 3.05 3.11 0.00 5.66 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 84 E 8.72 4.52 0.00 1.90 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 2.35 2.28 0.00 85 V 7.84 4.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.62 0.00 0.00 86 E 8.83 4.15 0.00 2.03 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 2.29 2.27 0.00 87 V 7.62 4.75 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 88 V 8.44 4.66 2.19 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 0.85 0.00 0.00 1.11 0.00 0.00 89 I 8.60 4.38 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.82 0.00 0.00 90 K 8.45 4.68 0.00 1.86 1.82 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.31 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.36 7.81 91 H 8.31 4.47 0.00 3.11 2.99 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.04 4.43 0.00 2.75 2.90 0.00 0.00 7.10 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 93 R 7.78 3.93 0.00 0.67 0.85 0.00 2.95 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.00 94 F 7.85 4.79 0.00 3.06 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 95 T 6.43 3.75 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 96 K 8.06 3.99 0.00 2.05 2.27 0.00 2.04 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.45 7.81 97 E 8.05 3.81 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 98 T 6.99 4.27 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 1.21 0.00 0.00 99 Y 8.26 3.64 0.00 2.57 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 0.00 100 D 8.04 4.56 0.00 2.90 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 0.00 101 F 8.49 3.57 0.00 3.23 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 0.00 102 D 8.11 4.26 0.00 2.96 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.38 4.34 1.31 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 -0.33 0.00 0.00 104 A 8.87 5.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.13 4.99 2.09 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 1.16 0.00 0.00 1.12 0.00 0.00 106 L 9.55 4.85 0.00 1.69 1.64 1.13 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.37 4.52 0.00 1.63 1.66 0.00 2.97 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.00 108 L 9.11 4.59 0.00 1.52 1.59 0.78 0.89 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 0.00 109 K 8.62 4.37 0.00 1.94 1.85 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 110 T 7.79 4.71 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 111 P 0.00 3.39 0.00 1.62 1.48 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 1.86 0.96 0.00 112 I 8.84 3.87 2.00 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 0.94 0.46 1.11 0.00 0.00 113 T 8.44 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 1.14 0.00 0.00 114 F 8.30 5.20 0.00 3.04 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 0.00 115 R 8.14 4.52 0.00 1.93 2.06 0.00 3.36 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 116 M 8.54 4.21 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 117 N 9.43 4.21 0.00 3.00 2.84 0.00 0.00 6.55 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 0.00 118 V 7.62 4.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 119 A 8.60 4.62 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 0.00 120 P 0.00 5.17 0.00 2.02 1.77 0.00 3.30 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 121 A 8.50 4.37 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.70 4.49 0.00 2.79 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 0.00 123 L 8.54 4.75 0.00 1.71 1.71 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.71 0.00 2.26 1.89 0.00 3.90 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 124A E 8.37 4.29 0.00 2.00 1.89 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 2.38 2.29 0.00 125 R 8.73 3.85 0.00 1.92 1.80 0.00 3.22 0.00 0.00 3.32 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 126 D 8.24 4.33 0.00 3.02 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 0.00 127 W 10.39 4.03 0.00 3.32 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 0.00 128 A 8.06 3.47 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 0.00 129 E 7.85 3.62 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 130 S 7.60 4.04 0.00 3.78 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 0.00 131 T 7.14 3.98 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 0.71 0.00 0.00 131A L 7.10 3.86 0.00 1.35 1.36 -0.10 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131B M 7.39 2.85 0.00 1.13 1.56 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.03 0.00 132 T 6.84 4.01 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 0.96 0.00 0.00 133 Q 7.42 4.04 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 134 K 8.29 3.98 0.00 1.85 1.79 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.39 7.81 135 T 7.53 4.86 4.18 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 1.26 0.00 0.00 136 G 8.15 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 0.00 137 I 8.90 5.10 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.97 0.00 0.00 138 V 8.98 5.07 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 1.08 0.00 0.00 1.19 0.00 0.00 139 S 8.75 5.04 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.68 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 0.00 0.00 0.00 141 F 7.97 5.07 0.00 2.98 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 0.00 142 G 9.01 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 0.00 0.00 0.00 0.00 143 R 8.47 4.52 0.00 1.69 1.96 0.00 3.43 0.00 0.00 3.09 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 144 T 8.76 4.54 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 1.24 0.00 0.00 145 H 7.38 4.98 0.00 3.30 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 E 8.70 4.29 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 148 K 8.17 4.61 0.00 1.89 1.85 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.48 7.81 149 G 7.53 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.00 4.66 0.00 1.95 1.99 0.00 3.01 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 151 Q 8.55 3.85 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.08 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 152 S 9.23 4.51 0.00 4.04 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 0.00 153 T 8.48 4.69 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 154 R 7.90 5.03 0.00 1.78 1.99 0.00 3.40 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 155 L 8.58 4.20 0.00 1.62 1.46 0.18 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.60 5.19 0.00 1.73 1.75 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.39 7.81 157 M 8.36 5.20 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 158 L 9.39 5.01 0.00 1.70 1.55 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.00 4.60 0.00 2.08 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 2.30 2.37 0.00 160 V 8.54 4.15 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 0.79 0.00 0.00 0.72 0.00 0.00 161 P 0.00 4.26 0.00 1.91 1.88 0.00 2.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.01 0.00 162 Y 8.78 4.42 0.00 2.98 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.26 4.29 1.89 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 -0.08 0.00 0.00 0.62 0.00 0.00 164 D 8.64 4.25 0.00 2.73 2.49 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 0.00 165 R 8.81 3.89 0.00 1.80 1.93 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 166 N 8.46 4.34 0.00 2.93 2.77 0.00 0.00 7.17 7.20 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 0.00 167 S 10.52 4.10 0.00 3.93 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 0.00 168 C 8.12 3.87 0.00 3.08 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.10 3.95 0.00 1.94 1.93 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.37 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.61 7.81 170 L 8.08 4.12 0.00 1.87 1.69 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 171 S 8.77 4.27 0.00 4.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 7.71 4.80 0.00 4.07 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 0.00 173 S 8.65 4.79 0.00 3.75 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 0.00 174 F 8.90 4.81 0.00 3.15 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 0.00 175 I 8.49 3.83 1.97 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 1.48 0.55 0.99 0.00 0.00 176 I 8.21 4.26 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.86 1.00 0.00 0.00 177 T 8.17 4.28 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 1.36 0.00 0.00 178 Q 8.42 4.05 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.07 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 179 N 7.85 4.44 0.00 2.78 2.95 0.00 0.00 6.32 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 M 7.55 5.54 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 181 F 8.80 5.00 0.00 3.05 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 0.00 182 C 9.07 5.06 0.00 2.83 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 0.00 183 A 8.40 4.38 1.03 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 0.00 184 G 7.38 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 0.00 185 Y 8.01 4.96 0.00 3.01 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 185A D 8.84 4.22 0.00 2.90 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 185B T 7.96 4.03 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 1.23 0.00 0.00 186 K 7.50 3.93 0.00 1.44 1.43 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.12 1.24 7.81 187 Q 8.27 4.41 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 188 E 7.39 5.43 0.00 1.99 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 2.21 2.05 0.00 189 D 8.50 4.53 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.20 4.59 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 7.75 4.75 0.00 2.97 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 0.00 192 Q 8.17 4.29 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.22 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 193 G 8.98 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 0.00 194 D 7.96 4.61 0.00 3.11 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 0.00 195 S 7.96 4.46 0.00 3.94 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 0.00 196 G 8.22 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 0.00 197 G 7.50 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 0.00 0.00 0.00 198 P 0.00 5.11 0.00 2.26 2.29 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 199 H 9.15 5.15 0.00 3.28 3.52 0.00 5.52 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 8.92 5.60 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 0.35 0.00 0.00 1.17 0.00 0.00 201 T 8.32 4.84 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 202 R 8.46 4.35 0.00 0.92 1.62 0.00 3.01 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.00 203 F 8.33 4.78 0.00 3.07 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 8.72 3.96 0.00 1.64 1.71 0.00 1.12 0.00 0.00 1.41 0.00 0.00 2.35 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.86 0.21 7.81 205 D 8.37 4.44 0.00 2.82 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 0.00 206 T 7.21 4.45 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 207 Y 8.44 4.35 0.00 2.03 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.99 4.99 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 0.00 209 V 8.95 4.14 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 0.83 0.00 0.00 0.88 0.00 0.00 210 T 8.67 4.38 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 211 G 8.54 4.65 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 0.00 212 I 8.34 4.85 1.90 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 1.18 0.81 0.91 0.00 0.00 213 V 8.24 3.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.02 0.00 0.00 214 S 8.67 5.14 0.00 3.92 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 0.00 215 W 7.82 5.25 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.49 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 0.00 217 E 9.09 4.57 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 218 G 8.25 3.66 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 0.00 0.00 0.00 218 C 8.24 4.25 0.00 2.84 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 0.00 221 A 9.00 3.78 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 0.00 222 R 7.71 4.08 0.00 1.86 1.84 0.00 3.36 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 223 K 7.97 4.77 0.00 1.72 1.73 0.00 1.86 0.00 0.00 2.36 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.40 7.81 223A G 9.08 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 0.00 0.00 0.00 224 K 7.41 4.44 0.00 1.82 1.57 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.53 7.81 225 Y 8.11 4.84 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 G 8.96 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 0.00 227 I 7.70 4.29 0.56 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 0.15 -0.36 0.21 0.00 0.00 228 Y 8.34 4.77 0.00 1.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.81 4.61 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 1.36 0.00 0.00 230 K 9.64 4.38 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 231 V 8.96 3.90 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 1.21 0.00 0.00 1.16 0.00 0.00 232 T 8.19 3.78 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 1.15 0.00 0.00 233 A 7.41 4.33 0.97 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 0.00 234 F 8.55 5.08 0.00 3.25 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 0.00 235 L 7.47 3.94 0.00 1.92 1.77 1.08 0.90 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 0.00 236 K 8.30 3.92 0.00 1.92 1.99 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.59 7.81 237 W 8.30 4.15 0.00 3.62 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 0.00 238 I 8.54 3.76 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.51 0.96 0.00 0.00 239 D 8.25 4.22 0.00 2.98 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 0.00 240 R 7.75 3.93 0.00 1.76 1.79 0.00 3.23 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 241 S 7.25 4.03 0.00 2.98 3.47 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 0.00 242 M 7.32 2.71 0.00 1.49 1.80 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 1.52 0.00 243 K 8.28 3.98 0.00 1.59 1.78 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.50 7.81 244 T 7.29 3.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 245 R 8.23 4.06 0.00 1.61 1.82 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.