NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.5717 8.0433 121.1425 55.5860 42.5279 174.9780 3 K 4.8132 8.7890 122.0093 53.8650 34.0525 173.9436 4 L 4.3820 9.9272 129.8027 53.8985 44.0815 174.4241 5 C 5.0896 10.1075 124.7764 56.2997 30.7694 172.1429 6 G 4.0514 7.3837 112.2499 45.2980 0.0000 173.1939 7 F 4.3983 6.5723 118.7912 54.7958 40.3976 175.1568 8 A 4.1369 8.2289 125.3683 53.8975 18.3298 178.7154 9 A 4.2531 8.4182 118.2147 53.3509 19.1231 178.1286 10 S 4.5689 8.1059 112.4585 57.2025 63.7483 174.4290 11 N 4.3722 8.8144 127.4139 56.4451 36.9568 176.9923 12 Y 4.1474 8.0331 118.5934 60.6386 37.9950 177.5346 13 Y 4.0203 8.2583 120.7191 60.8978 38.8658 178.0341 14 N 4.4402 8.3563 117.1740 55.7873 38.5907 177.3883 15 K 4.1285 7.9318 122.9061 58.9247 32.1882 179.0710 16 V 3.4978 7.3502 117.2246 65.6432 31.4010 177.8172 17 K 3.3539 7.7506 119.3785 59.3339 31.8923 178.6723 18 L 3.9427 8.1980 119.2932 57.7144 41.5819 179.3139 19 A 4.0146 7.7458 120.1200 55.2174 18.3257 179.6488 20 L 3.7391 7.8852 117.6718 57.8313 41.6674 179.8998 21 L 4.0711 7.9749 118.9386 57.9434 41.4221 179.4255 22 E 3.9298 8.3713 117.6056 58.5961 29.4391 178.5671 23 K 4.2964 7.7789 115.7844 55.1449 32.7547 176.0509 24 N 4.1662 7.6520 115.1729 54.0152 36.6472 174.3350 25 V 3.6624 7.5142 117.8876 61.3900 32.1181 174.0102 26 P 4.4726 0.0000 0.0000 62.8152 31.8766 175.3767 27 F 5.0936 7.9345 115.2008 55.9516 40.8129 172.5531 28 E 4.5235 9.2443 121.9120 54.5594 31.6965 174.5005 29 E 4.9953 8.6995 126.4323 55.7320 31.0299 175.8100 30 V 4.2926 8.9708 124.4210 60.7563 34.4050 174.1119 31 L 4.4015 8.5448 130.4015 54.6940 42.2020 176.1216 32 A 4.5362 8.7188 129.0906 49.6261 21.4008 175.4596 33 W 4.3838 8.4254 120.9872 57.0488 30.0240 176.4751 34 I 4.0307 8.3069 121.6363 63.2240 36.8939 177.0518 35 G 4.0759 9.2870 112.6967 45.6579 0.0000 173.4297 36 E 4.7616 8.3927 118.3654 56.1268 30.6956 176.0018 37 T 4.4409 7.7463 109.1402 60.6788 70.4677 173.5203 38 D 4.7423 8.5788 122.3069 53.7563 41.3035 176.8386 39 T 4.2404 8.2601 118.3045 63.3493 69.0509 176.0071 40 T 3.9966 8.0914 112.4342 64.0245 69.2640 176.0952 41 A 4.4602 7.7149 123.4322 52.1795 20.1850 176.9135 42 T 4.2969 7.6316 111.9534 59.1404 67.5690 172.1779 43 P 4.5008 0.0000 0.0000 63.8236 30.3924 177.7909 44 A 4.4410 7.9628 120.7096 51.4282 19.1997 177.2732 45 G 3.9837 8.2171 104.7766 46.8279 0.0000 174.6053 46 K 4.4420 7.2491 117.1226 55.3643 33.1052 176.8030 47 V 4.6988 8.0770 114.0648 58.9564 34.5447 173.8188 48 P 5.0464 0.0000 0.0000 62.8346 33.0176 174.3959 49 Y 4.9879 7.9484 116.6376 55.1716 41.5113 173.2563 *51 I 4.2865 8.3173 118.5150 62.1218 39.0326 175.3374 52 T 5.1145 8.9009 119.3452 59.9540 71.8008 175.2487 53 E 4.0063 8.8347 116.7282 58.9988 29.6598 174.4931 54 S 4.4277 7.9531 110.2358 58.4393 63.8898 174.5700 55 G 4.0234 6.0583 109.0746 44.3338 0.0000 171.8011 56 S 4.9705 7.9668 112.9618 56.3044 65.8191 172.8693 57 L 4.8351 8.1712 120.6276 53.3937 45.0847 176.6200 58 C 4.9246 8.6644 116.0517 57.3706 30.3792 173.8799 59 E 4.6438 7.9764 119.1995 54.3146 33.4467 175.9075 60 S 4.1181 8.7597 119.2200 61.8387 62.9093 176.3976 61 E 4.0582 8.1503 122.1641 58.4850 29.3900 178.6625 62 V 3.6018 7.7412 118.1699 65.8781 31.6914 177.7823 63 I 3.7550 7.9540 119.6412 64.7184 37.0277 178.2597 64 N 4.5041 8.2190 117.1874 56.2849 38.3230 177.4177 65 E 4.0173 8.6171 120.5042 59.4113 29.4976 178.7444 66 Y 4.0089 8.3360 119.9034 60.7194 38.9187 177.9903 67 L 4.1172 8.6669 120.2319 57.9942 41.4938 179.4204 68 E 3.9613 8.0774 117.2677 59.3646 29.4722 178.9287 69 A 4.0670 7.5935 119.4799 54.6800 18.7040 179.0723 70 A 3.8753 7.9945 118.3692 53.0794 19.8741 177.3298 71 Y 4.5638 7.6363 115.2151 55.6965 38.2641 173.9804 72 P 4.4320 0.0000 0.0000 63.2888 32.6310 178.2137 73 Q 4.0703 7.7742 120.5398 59.0528 28.9892 176.4369 74 T 4.4944 7.4611 115.6245 60.5120 68.4658 171.2755 75 P 4.5328 0.0000 0.0000 62.6446 32.4579 177.1113 76 L 4.6992 9.1905 119.3297 54.3817 42.4225 175.9108 77 L 5.0906 7.5555 118.0793 51.8591 44.8170 174.7107 78 P 4.4377 0.0000 0.0000 62.6587 32.0400 176.7122 79 R 4.0196 8.4609 120.4898 59.0787 30.5025 177.0046 80 D 4.4044 7.9576 117.7841 53.7570 41.7322 175.5265 81 P 4.4762 0.0000 0.0000 63.6704 31.2082 177.9665 *83 Q 4.1910 8.2095 119.6320 55.9946 30.7444 177.5751 84 A 4.1156 8.3555 119.9564 54.9026 18.2393 179.7899 85 G 3.6168 8.2759 104.4523 48.1305 0.0000 176.1102 86 K 4.0107 7.8860 120.3943 58.8320 32.0983 179.6192 87 V 3.5385 7.5940 118.4763 66.1767 31.4865 178.4252 88 R 3.9863 8.1790 117.8871 59.0356 29.8284 178.7338 89 E 3.9954 8.4265 119.4399 59.2672 29.6745 178.9359 90 I 3.8195 7.6446 119.3870 64.3774 37.2002 178.4287 91 V 3.6727 7.8570 119.0194 66.6080 31.2946 178.2881 92 T 3.8792 8.1978 115.4358 66.3131 68.1795 176.7578 93 F 3.7450 8.4942 122.6854 61.0665 39.5490 176.6251 94 L 3.7132 8.2293 120.1879 58.4033 41.7222 178.8412 95 E 3.9490 7.8961 117.5865 59.0856 29.5919 178.9870 96 L 3.6601 7.7096 117.8891 57.2267 41.5855 177.7389 97 Y 4.4323 7.3343 114.1977 58.2914 39.7556 177.1749 98 L 4.5284 7.6570 118.6221 56.6610 42.6892 178.2393 99 E 3.9462 8.3960 119.2475 59.5551 29.5141 179.0114 100 L 4.0489 8.0753 117.8663 57.7268 41.3718 179.5284 101 T 4.0515 7.8792 115.2724 66.7131 68.5688 176.4300 102 A 4.0669 8.1728 122.6613 55.0832 18.5098 179.5275 103 R 2.0000 7.9445 117.5610 58.9111 29.7379 178.4885 104 E 4.0190 7.5563 116.6510 58.4689 29.6978 178.1979 105 L 4.3938 8.0225 118.4611 55.8011 42.1485 178.0535 106 Y 4.1610 7.6478 117.1018 60.7051 37.7005 176.7237 107 P 4.5671 0.0000 0.0000 65.7437 31.2411 178.1490 108 E 4.2875 8.3257 117.4709 58.4890 29.8394 178.0701 109 A 3.9165 7.8091 119.7909 54.1798 18.4123 178.6336 110 F 4.8845 8.0450 113.5760 57.0554 40.9426 176.2293 111 F 4.9207 7.6471 115.0520 56.9148 39.8908 175.4962 112 G 3.9135 8.5450 106.8380 46.1960 0.0000 174.9582 113 G 4.0620 8.2037 112.8278 44.6934 0.0000 173.6371 114 K 4.9528 8.3431 119.1710 52.7802 35.5317 171.7777 115 V 4.6048 8.8488 116.3609 58.0370 34.9711 176.7029 116 S 4.3352 8.3703 117.6919 58.5096 64.7821 175.1808 117 D 4.3919 8.6605 122.7287 57.6651 40.4707 179.0021 118 N 4.3230 8.0768 116.5340 56.2040 38.5706 177.2728 119 V 3.5907 7.8484 119.5595 66.0632 31.6824 178.1197 120 K 4.0394 8.1915 118.1046 59.5742 31.8506 178.9420 121 E 3.9642 8.5542 119.8058 59.1140 29.6083 178.7254 122 R 3.8499 8.2293 118.9074 59.8120 30.1426 178.6672 123 Q 4.0976 8.4750 117.9186 58.6073 28.5805 178.4440 124 L 3.6630 7.9157 121.6372 57.8159 41.8752 179.1267 125 K 3.8737 7.8090 118.2589 59.1720 31.8757 179.4046 126 L 3.5487 7.6962 119.1116 57.7546 41.5143 179.6446 127 L 4.1096 8.0702 119.0044 57.8733 41.2796 179.7894 128 S 4.0697 8.0202 114.5468 60.9514 62.9239 176.0847 129 R 4.1399 7.2756 120.0669 59.0522 29.9728 177.8979 130 Y 4.8909 8.0119 116.5785 60.7196 37.9594 178.1306 131 V 3.8032 8.3340 119.7234 65.7947 31.7937 176.4855 132 P 4.3188 0.0000 0.0000 65.1681 31.1299 178.5363 133 A 3.9408 7.8047 118.7376 55.0081 18.2115 179.4430 134 F 3.6618 8.5447 119.3166 61.1652 39.2341 177.2508 135 A 3.8806 8.0285 119.6560 54.8956 18.1653 179.4407 136 K 3.9693 7.3990 116.0789 59.4898 32.1442 179.1627 137 L 3.9268 6.8279 116.5892 56.3489 42.0864 177.9251 138 A 3.6827 6.7867 120.5448 51.9509 18.9182 176.7670 139 K 4.1116 8.5040 120.2023 57.5553 34.0822 177.6145 140 F 4.0911 7.3864 115.4031 58.9234 36.8627 175.8180 141 S 4.8337 8.0859 112.0009 56.7468 63.0376 173.6369 142 P 4.7633 0.0000 0.0000 63.3536 32.7224 175.9656 143 Y 4.8266 7.6198 118.1293 56.9858 39.0612 176.8202 144 V 2.7090 9.2995 120.9672 63.8525 31.3816 177.6068 145 A 4.5118 9.2745 119.8577 50.7929 20.4498 176.7063 146 G 4.0868 7.0964 105.2320 45.5010 0.0000 174.3911 147 D 5.4044 8.7166 123.3053 52.7964 40.2775 176.2794 148 T 4.7324 7.5576 109.0137 59.6158 71.8465 172.8741 149 F 3.9698 8.1526 124.9454 57.6117 40.1296 174.6976 150 T 4.7871 8.1372 117.3381 59.0331 71.9501 174.2836 151 L 3.9604 8.3839 119.9840 57.9308 41.2840 179.6582 152 A 4.0198 7.7206 120.5771 55.1458 18.2448 179.3994 153 D 4.7775 7.5888 118.8524 56.9705 40.4006 178.6328 154 C 4.1655 7.7166 116.7214 62.5680 28.0714 175.9256 155 A 3.8689 7.8305 121.7998 55.1413 18.2412 179.5968 156 A 4.0329 8.5565 119.4805 55.2731 18.2040 179.6825 157 A 4.1440 8.2462 118.6363 54.7551 18.5446 179.2777 158 V 4.1113 7.6033 109.5557 63.1964 32.9764 177.9370 159 H 4.4018 8.2243 115.9700 58.4896 28.7146 177.6937 160 L 4.0696 8.0647 120.8445 57.5297 41.5098 177.9136 161 P 4.3736 0.0000 0.0000 65.3991 31.1790 178.7328 162 L 4.0460 7.4870 115.3584 57.6470 41.5805 179.5824 163 V 3.7890 8.0441 118.3041 66.0183 31.4502 178.0806 164 S 4.3505 8.1986 114.9150 61.9233 62.8951 176.8414 165 S 4.1918 8.2813 117.4806 61.8336 62.6827 176.2423 166 C 3.7881 8.6487 121.8286 62.8789 31.3039 175.8817 167 T 4.0886 8.2026 111.1853 64.6657 68.4782 176.6872 168 K 4.2025 8.3271 121.4264 59.3430 31.8344 179.4097 169 I 3.6691 7.3684 118.4762 64.4493 37.1896 178.3507 170 I 3.6220 7.4289 119.0612 63.8893 36.7952 177.2863 171 Y 4.8164 8.2529 115.5484 56.6509 38.5366 177.0697 172 G 4.0615 8.1619 107.4800 45.6667 0.0000 173.3781 173 K 4.4474 7.5669 119.7512 54.2334 35.3737 175.5345 174 D 4.5747 8.6981 125.5411 53.8266 40.3461 176.4223 175 L 4.2544 8.4590 127.1472 56.4621 42.0162 178.1361 176 L 4.5608 8.6237 119.0513 54.3892 41.7015 178.2352 177 A 4.0282 7.9540 124.1466 54.9498 18.2711 178.8073 178 D 4.6877 7.9957 112.8033 54.4745 41.5640 176.3474 179 L 4.5539 7.5636 119.8395 52.9950 43.8106 175.4726 180 P 4.4853 0.0000 0.0000 62.6504 29.2575 177.9693 181 V 3.6143 7.4006 122.0505 67.2096 32.1621 177.4474 182 K 4.0700 8.0739 125.5884 60.4908 31.6534 181.7407 183 E 4.2519 8.0435 119.2595 60.7749 29.6607 180.3019 184 Y 4.4188 7.8838 120.0470 60.9465 38.9758 178.3372 185 L 3.8194 8.2817 120.0272 57.3114 41.3829 179.5177 186 K 3.9363 7.5688 118.7913 59.6347 32.0436 178.5170 187 T 3.9870 7.9081 116.0535 66.9033 68.4001 176.5160 188 L 3.9234 7.7908 120.8178 57.4448 41.4044 179.4879 189 S 4.4019 7.9852 116.1424 61.9697 62.8038 176.6946 190 E 4.1340 7.5673 120.0984 58.9204 30.1112 181.1484 191 R 4.4993 7.8845 117.9150 55.5816 31.3103 175.9660 192 P 4.3934 0.0000 0.0000 65.4437 31.3497 178.9393 193 S 4.0927 8.0403 112.8204 61.8224 62.5547 176.8441 194 V 3.6136 7.6655 121.4124 65.4744 31.3382 177.8690 195 Q 3.9677 8.1743 118.0131 58.7448 28.4771 178.6715 196 K 3.9349 8.3249 120.9151 59.4834 32.2493 179.0497 197 V 3.6402 7.9651 118.6093 66.2027 31.5613 177.8084 198 N 4.3550 8.5670 116.3145 56.0919 38.4592 177.3884 199 A 4.0078 8.0710 122.3099 55.3430 18.5392 179.4691 200 D 4.3652 8.4918 117.8200 57.3621 40.7998 179.0567 201 R 4.2705 8.0566 120.7783 58.9048 30.1078 178.8139 202 K 3.9749 8.0630 117.8685 59.2608 32.0434 179.1856 203 A 3.9913 7.9212 120.8596 55.3639 18.1261 179.2913 204 N 4.4500 8.1489 114.2133 56.9208 39.0692 177.0420 205 T 4.1087 7.9672 116.8096 66.4546 68.9031 175.8805 206 E 4.1358 8.1972 121.2911 59.1020 29.4428 179.3796 207 L 3.9191 7.7288 116.8998 55.9306 41.8106 178.1616 *209 L 4.3503 7.8475 116.8255 53.9782 43.5575 178.3203 210 S 4.2217 8.1237 114.5720 61.5400 63.0556 174.4974 211 R 3.9120 7.1386 121.7275 55.8860 29.1347 175.7871 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 L 8.04 4.57 0.00 1.86 1.98 0.94 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.79 4.81 0.00 1.64 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.47 7.81 4 L 9.93 4.38 0.00 1.52 1.54 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 5 C 10.11 5.09 0.00 1.23 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 0.00 0.00 0.00 6 G 7.38 4.05 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 0.00 7 F 6.57 4.40 0.00 3.04 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.23 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.42 4.25 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.11 4.57 0.00 3.36 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.81 4.37 0.00 2.86 3.04 0.00 0.00 6.27 7.57 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 12 Y 8.03 4.15 0.00 3.08 3.05 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 13 Y 8.26 4.02 0.00 2.82 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 14 N 8.36 4.44 0.00 2.94 2.88 0.00 0.00 6.71 7.30 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 15 K 7.93 4.13 0.00 1.75 2.02 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.37 7.81 16 V 7.35 3.50 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 0.81 0.00 0.00 0.95 0.00 0.00 17 K 7.75 3.35 0.00 1.59 1.82 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.48 7.81 18 L 8.20 3.94 0.00 1.90 1.80 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.75 4.01 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 20 L 7.89 3.74 0.00 1.12 1.18 -0.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.97 4.07 0.00 1.82 1.72 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.37 3.93 0.00 1.97 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 2.43 0.00 23 K 7.78 4.30 0.00 1.74 1.81 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.56 7.81 24 N 7.65 4.17 0.00 2.85 2.87 0.00 0.00 6.88 7.39 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 25 V 7.51 3.66 1.82 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 0.11 0.00 0.00 0.42 0.00 0.00 26 P 0.00 4.47 0.00 2.08 1.94 0.00 3.68 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 2.02 2.05 0.00 27 F 7.93 5.09 0.00 3.06 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 28 E 9.24 4.52 0.00 1.99 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 2.18 2.21 0.00 29 E 8.70 5.00 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 30 V 8.97 4.29 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 0.98 0.00 0.00 0.91 0.00 0.00 31 L 8.54 4.40 0.00 1.44 1.36 -0.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.72 4.54 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 33 W 8.43 4.38 0.00 3.40 2.90 0.00 0.00 0.00 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8.32 4.29 1.91 0.00 0.00 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 1.52 0.74 0.95 0.00 0.00 52 T 8.90 5.11 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 53 E 8.83 4.01 0.00 2.01 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 2.23 1.87 0.00 54 S 7.95 4.43 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 6.06 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 0.00 0.00 0.00 56 S 7.97 4.97 0.00 4.00 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 57 L 8.17 4.84 0.00 1.57 1.49 0.68 0.70 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 58 C 8.66 4.92 0.00 3.01 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 59 E 7.98 4.64 0.00 1.91 1.79 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 0.00 0.00 0.00 111 F 7.65 4.92 0.00 3.25 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.54 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.20 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.34 4.95 0.00 1.72 1.52 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.00 7.81 115 V 8.85 4.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 116 S 8.37 4.34 0.00 4.05 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 0.00 117 D 8.66 4.39 0.00 2.80 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 0.00 118 N 8.08 4.32 0.00 2.74 2.87 0.00 0.00 6.78 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 0.00 119 V 7.85 3.59 2.25 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 1.14 0.00 0.00 0.94 0.00 0.00 120 K 8.19 4.04 0.00 2.08 2.01 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.59 7.81 121 E 8.55 3.96 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 122 R 8.23 3.85 0.00 2.20 2.00 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 123 Q 8.47 4.10 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 124 L 7.92 3.66 0.00 1.35 1.63 0.11 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.81 3.87 0.00 1.89 1.75 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 126 L 7.70 3.55 0.00 1.84 1.54 1.01 0.46 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 0.00 127 L 8.07 4.11 0.00 1.64 1.76 1.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.02 4.07 0.00 3.89 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 0.00 129 R 7.28 4.14 0.00 1.74 1.61 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 130 Y 8.01 4.89 0.00 3.17 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 0.00 131 V 8.33 3.80 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.09 0.00 0.00 132 P 0.00 4.32 0.00 2.23 2.10 0.00 3.85 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 2.22 2.18 0.00 133 A 7.80 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.54 3.66 0.00 3.18 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 0.00 135 A 8.03 3.88 1.41 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 0.00 0.00 136 K 7.40 3.97 0.00 2.09 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.35 7.81 137 L 6.83 3.93 0.00 1.34 1.44 0.68 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 A 6.79 3.68 0.24 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 0.00 139 K 8.50 4.11 0.00 1.60 1.76 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.49 7.81 140 F 7.39 4.09 0.00 3.19 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 0.00 141 S 8.09 4.83 0.00 3.98 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 0.00 142 P 0.00 4.76 0.00 1.92 2.08 0.00 3.28 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.68 0.00 143 Y 7.62 4.83 0.00 3.45 3.39 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 0.00 144 V 9.30 2.71 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.38 0.00 0.00 145 A 9.27 4.51 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 0.00 146 G 7.10 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 0.00 0.00 0.00 147 D 8.72 5.40 0.00 2.86 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 0.00 148 T 7.56 4.73 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 1.26 0.00 0.00 149 F 8.15 3.97 0.00 2.06 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 0.00 150 T 8.14 4.79 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 0.00 151 L 8.38 3.96 0.00 1.70 1.75 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.72 4.02 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 0.00 153 D 7.59 4.78 0.00 1.58 2.33 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 0.00 154 C 7.72 4.17 0.00 3.14 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 0.00 155 A 7.83 3.87 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 0.00 156 A 8.56 4.03 1.51 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 0.00 157 A 8.25 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.60 4.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.83 0.00 0.00 159 H 8.22 4.40 0.00 3.15 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.06 4.07 0.00 1.95 1.85 1.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.37 0.00 2.17 2.12 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 162 L 7.49 4.05 0.00 2.01 1.85 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.04 3.79 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 1.14 0.00 0.00 1.11 0.00 0.00 164 S 8.20 4.35 0.00 4.16 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 0.00 165 S 8.28 4.19 0.00 4.21 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 8.65 3.79 0.00 3.19 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 0.00 167 T 8.20 4.09 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 1.48 0.00 0.00 168 K 8.33 4.20 0.00 2.02 1.94 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.70 7.81 169 I 7.37 3.67 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.56 0.81 0.00 0.00 170 I 7.43 3.62 1.07 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 1.38 0.44 0.02 0.00 0.00 171 Y 8.25 4.82 0.00 3.11 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 0.00 172 G 8.16 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.57 4.45 0.00 1.87 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.40 7.81 174 D 8.70 4.57 0.00 2.76 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 0.00 175 L 8.46 4.25 0.00 1.79 1.75 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.62 4.56 0.00 1.89 1.74 1.01 0.82 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 0.00 177 A 7.95 4.03 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 0.00 178 D 8.00 4.69 0.00 2.70 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 0.00 179 L 7.56 4.55 0.00 1.82 1.54 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.49 0.00 2.01 2.09 0.00 3.36 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 1.18 1.89 0.00 181 V 7.40 3.61 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 1.22 0.00 0.00 0.94 0.00 0.00 182 K 8.07 4.07 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 183 E 8.04 4.25 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.93 0.00 184 Y 7.88 4.42 0.00 2.99 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 0.00 185 L 8.28 3.82 0.00 1.71 1.67 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 186 K 7.57 3.94 0.00 2.10 1.99 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.35 7.81 187 T 7.91 3.99 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 188 L 7.79 3.92 0.00 1.70 1.69 0.58 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.99 4.40 0.00 4.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 E 7.57 4.13 0.00 2.07 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 2.26 2.22 0.00 191 R 7.88 4.50 0.00 1.86 1.75 0.00 3.18 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 192 P 0.00 4.39 0.00 2.12 2.07 0.00 3.55 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 193 S 8.04 4.09 0.00 4.01 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 V 7.67 3.61 2.33 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 1.15 0.00 0.00 0.98 0.00 0.00 195 Q 8.17 3.97 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 196 K 8.32 3.93 0.00 1.82 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.46 7.81 197 V 7.97 3.64 2.20 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 1.07 0.00 0.00 1.00 0.00 0.00 198 N 8.57 4.36 0.00 2.87 2.85 0.00 0.00 6.94 8.90 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 0.00 199 A 8.07 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 D 8.49 4.37 0.00 2.94 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 0.00 201 R 8.06 4.27 0.00 2.01 2.14 0.00 3.11 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 202 K 8.06 3.97 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 203 A 7.92 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 8.15 4.45 0.00 2.84 2.93 0.00 0.00 7.32 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 0.00 205 T 7.97 4.11 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 206 E 8.20 4.14 0.00 2.07 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 2.33 0.00 207 L 7.73 3.92 0.00 2.06 2.02 1.01 0.91 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 *209 L 7.85 4.35 0.00 1.69 1.74 0.90 1.02 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 0.00 210 S 8.12 4.22 0.00 4.04 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 0.00 211 R 7.14 3.91 0.00 1.56 1.52 0.00 2.21 0.00 0.00 2.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.