NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4284 8.1927 115.4122 57.7503 64.8326 173.8398 3 L 3.2922 8.3254 120.5951 57.4067 41.5338 177.1772 4 R 3.5340 7.8329 118.4946 59.3803 30.4147 177.9610 5 S 3.9927 7.7569 113.4903 61.4296 62.8354 175.9094 6 D 4.3376 7.9656 122.5918 57.1927 40.5820 178.7507 7 L 3.7479 7.9396 120.5039 58.0901 41.8197 178.8877 8 I 3.5907 7.5610 119.1949 64.4230 37.0892 177.9365 9 N 4.4406 8.1921 116.1817 56.3533 38.5667 176.8569 10 A 4.1966 8.4422 121.6420 54.0453 18.4964 178.0694 11 L 3.9667 7.6991 120.3657 55.4631 42.2169 178.1899 *19 D 4.4857 8.3149 123.0746 52.9156 40.5973 171.2463 20 V 3.9211 7.7016 122.9007 63.0169 32.5553 175.3125 21 C 4.7880 8.8431 118.8980 56.5793 30.6266 173.1944 22 G 4.1609 7.3318 107.4959 46.8395 0.0000 172.1469 23 I 4.7088 8.2217 113.8084 59.1667 40.3040 174.6125 24 I 5.2115 8.1641 122.8729 59.3636 41.0277 174.6349 25 S 4.7688 8.4862 122.4810 56.7500 64.7425 175.0968 26 A 4.0012 8.7801 124.1092 55.2681 18.3980 179.1339 27 E 4.0249 8.1623 114.9162 59.5961 29.6567 177.7037 28 G 4.0867 8.2288 107.2711 45.5705 0.0000 173.9095 29 K 4.5518 8.4286 124.6380 54.2824 33.5593 180.3772 30 I 4.7302 9.2171 127.4375 59.3994 38.9702 174.4384 31 Y 4.8219 9.2315 126.5374 55.9036 39.1995 174.2195 32 P 4.8728 0.0000 0.0000 62.8577 32.4532 175.5028 33 L 4.6078 8.3568 120.0809 53.2607 43.3687 176.7636 34 G 3.9247 8.3752 113.0276 45.3718 0.0000 175.8604 35 S 4.4339 8.4453 122.7619 57.6290 60.4583 171.8883 36 D 4.7925 7.7076 126.1990 51.9990 44.1995 176.1643 37 T 4.6462 8.4270 111.4774 66.6563 69.3739 173.5309 38 K 4.2928 7.9126 124.6258 59.5294 31.6739 182.8382 39 V 3.6666 7.5286 117.4094 66.4222 31.6029 178.1144 40 L 3.1293 7.4483 118.0031 57.1717 41.3146 179.6607 41 S 4.1528 7.9314 115.3539 61.9124 62.8170 176.6624 42 T 3.8130 7.3498 117.1761 67.0694 68.1767 176.1756 43 I 3.4929 7.5437 121.4912 64.5009 36.6474 178.1870 44 F 4.3082 7.7888 121.1577 61.3935 38.8487 178.6596 45 E 4.2197 8.1829 117.7862 61.1363 29.4275 182.5809 46 L 4.2908 7.8964 119.2497 57.6174 41.7621 179.1274 47 F 4.2492 8.6013 120.0654 61.3199 39.5790 177.0612 48 S 4.3879 8.0420 114.5829 61.2924 62.7704 176.3535 49 R 3.8634 7.9916 120.5780 59.0693 29.8608 177.2311 50 P 4.1676 0.0000 0.0000 65.5419 31.4647 178.3511 51 I 3.6064 7.6511 118.1599 64.7548 36.9569 178.2115 52 I 3.5733 7.5781 120.0993 64.4621 36.9978 178.1232 53 N 4.2978 8.1538 117.7955 56.1235 38.5875 177.0394 54 K 3.9101 8.1608 121.3465 59.6273 31.9871 178.9767 55 I 3.7160 7.7183 119.8759 64.1260 36.9040 178.2791 56 A 4.0797 8.3539 124.2953 55.7457 18.2401 179.9935 57 E 3.9847 8.1725 118.7812 61.9762 29.5684 181.6005 58 K 4.0861 7.3920 123.7295 59.9469 31.6521 179.5429 59 H 5.1376 7.7158 114.2444 54.6780 29.0245 175.4257 60 G 3.9533 8.3523 108.2541 46.9030 0.0000 173.3776 61 Y 4.7184 8.0871 116.4046 55.8832 40.0520 176.0851 62 I 4.0526 8.8296 125.4834 60.7389 38.9606 174.9063 63 V 4.9491 8.2562 124.8693 61.2299 33.7170 174.4270 64 E 4.8489 9.6286 127.2982 54.7860 33.0012 175.5658 65 E 4.9108 8.6261 122.9901 53.3147 32.2418 173.7005 66 P 4.5048 0.0000 0.0000 63.1202 32.3946 177.1893 67 K 4.2855 8.5437 122.5701 56.9972 33.0621 178.6539 68 Q 4.3982 7.5072 116.6846 54.0701 29.1212 177.8883 69 Q 4.1796 8.6787 120.0974 58.9838 29.3177 177.6408 70 N 4.7648 7.9027 113.8868 53.3499 37.4408 175.1486 71 H 5.0096 7.8783 114.6507 54.9262 31.6974 173.6403 72 Y 4.3889 8.6064 126.4594 56.9586 39.9312 172.7803 73 P 4.2704 0.0000 0.0000 60.5262 33.3416 174.5139 74 D 4.2780 8.9831 120.1226 57.0896 41.7833 177.3919 75 F 5.1938 8.4030 115.9440 55.9241 43.5272 174.0878 76 T 5.1303 9.3381 120.3729 61.9896 70.9935 173.2275 77 L 5.9994 8.5882 126.6845 52.6882 44.7078 175.3216 78 Y 4.9989 7.9428 117.0075 56.7596 40.5458 172.7377 79 K 4.3453 7.7335 121.1523 55.0190 32.9289 176.4444 80 P 4.3961 0.0000 0.0000 65.1061 31.6669 178.0536 81 S 4.1643 8.2148 114.8434 61.6101 63.6070 175.9119 82 E 4.4685 7.4706 121.7606 52.7704 28.2219 176.3505 83 P 4.1467 0.0000 0.0000 64.3217 31.7999 178.2572 84 N 4.7890 8.0000 117.2772 52.6396 38.3991 180.3085 85 K 4.7524 7.4767 121.5200 55.6121 32.7115 180.7923 86 K 4.2416 7.8962 120.6031 57.2530 33.5694 176.5115 87 I 4.7003 8.3888 123.0360 59.4181 40.5389 174.2633 88 A 5.0648 8.8459 129.1190 50.4674 21.0265 175.7304 89 I 5.0648 8.7032 123.5763 59.5363 40.8513 174.3531 90 D 5.2631 8.7620 125.5620 52.7205 44.7990 173.9180 91 I 4.8499 9.1745 127.2985 60.5516 38.3105 175.4706 92 K 4.9355 9.2504 125.9402 54.9860 35.9250 175.4351 93 T 5.5243 8.7569 118.7668 62.6522 72.8265 172.5716 94 T 4.7642 8.7109 117.2302 61.4064 71.6034 171.2702 95 Y 4.8020 7.7511 120.9565 54.9388 41.4823 174.7082 96 T 4.5056 9.0944 111.8501 60.4888 71.6872 175.6586 97 N 4.2367 9.1968 124.0387 55.7341 38.0539 174.8995 *102 K 4.4028 7.7047 120.1646 54.9651 33.2684 177.5328 103 I 4.6783 8.6678 116.7471 58.7107 41.6559 173.8267 104 K 4.9111 7.9850 120.1737 55.5219 35.6302 175.1985 105 F 5.0010 9.7894 120.5895 55.9390 43.0836 173.9412 106 T 4.7974 8.6503 110.3533 60.1868 70.2617 174.4454 107 L 4.7288 8.8059 124.6111 54.8301 42.9928 176.5927 108 G 4.0020 8.5128 106.4709 44.3078 0.0000 174.3690 109 G 3.6767 8.1226 108.2622 45.5267 0.0000 173.2299 110 Y 4.4908 7.8385 118.1325 56.4512 38.2911 176.9382 111 T 4.6230 7.2835 108.9215 61.6647 71.5613 174.4527 112 S 4.7669 6.8692 122.1055 57.0662 60.2012 177.6396 113 F 4.4559 8.5832 114.8136 59.5623 36.9352 177.0896 114 I 3.0664 6.6042 112.8347 62.0883 37.7981 176.5234 115 R 4.2860 7.8732 119.1650 56.0811 31.8541 175.2694 116 N 4.7788 7.1850 114.4348 51.5992 40.0545 174.3268 117 N 4.2498 8.2138 125.4361 56.2181 39.7053 175.9064 118 T 4.7021 7.9770 107.0636 61.6593 69.3051 174.2012 119 K 4.2172 8.5952 124.9940 55.5752 32.8145 180.9364 120 N 4.0490 8.8491 122.3286 52.7319 36.3298 173.6421 121 I 5.0313 7.0803 114.3466 59.2546 41.6672 174.5377 122 V 3.7854 9.0126 127.1841 65.4499 31.5925 175.8125 123 Y 4.7704 7.6710 113.3376 54.8740 41.5510 173.4860 124 P 4.6383 0.0000 0.0000 62.8618 32.0672 177.3972 125 F 4.4300 9.9265 126.0176 61.5573 39.3947 177.0135 126 D 4.5196 8.9352 119.3184 55.6999 39.4997 176.9879 127 Q 4.1345 8.4628 118.4940 56.4192 29.1531 174.5366 128 Y 4.7721 7.5187 116.9108 56.3288 39.2925 175.4397 129 I 4.4186 8.7402 117.1737 61.1698 39.3785 175.5712 130 A 4.7017 7.5261 123.8884 50.9453 22.9423 174.8794 131 H 5.0641 9.0159 117.7758 53.8826 31.1862 172.7046 132 W 5.4045 9.3726 123.8692 55.7682 31.5895 175.5127 133 I 4.7496 8.9672 123.2882 59.7475 40.0279 174.5838 134 I 4.1664 8.8374 129.1091 59.7311 38.7049 174.9738 135 G 3.4617 7.5512 115.4337 44.4079 0.0000 171.4168 136 Y 5.1594 8.9367 120.3298 55.7615 41.9518 174.7578 137 V 5.0642 9.0255 123.3673 61.2577 34.6592 173.8383 138 Y 5.4144 8.5485 124.7131 55.5935 41.9182 174.3238 139 T 5.4066 8.9492 120.1013 62.2470 70.4640 174.7850 140 R 4.5263 8.6311 127.5117 57.8215 30.2261 171.7044 141 V 3.5948 8.4781 116.4010 62.6221 31.4776 177.4850 *147 S 4.2368 8.8550 115.7405 58.9461 63.9495 172.5787 148 L 4.6427 8.4031 127.3041 54.9355 42.0778 175.9691 149 K 4.4710 7.3184 118.1267 54.6245 35.1309 174.6447 150 T 4.5503 7.6752 112.0354 60.5035 71.4522 172.3078 151 Y 5.0030 8.6833 120.7877 56.6881 43.2836 174.3220 152 N 5.3582 8.9436 118.0110 51.0507 42.2833 171.9798 153 I 4.1678 8.4971 122.0287 64.8244 35.5035 175.7071 154 N 4.5279 7.9468 130.2030 52.2553 36.5419 173.4720 155 E 4.6243 8.3386 117.4135 56.8260 30.3637 177.6761 156 L 3.8409 7.9757 119.8072 57.7780 41.7111 178.3445 157 N 4.3830 8.2017 115.4158 54.2665 37.6514 175.6778 158 E 4.5231 8.3859 114.2612 55.6808 31.5807 181.3824 159 I 3.4851 6.7909 119.5407 60.5927 37.4297 174.1425 160 P 4.3287 0.0000 0.0000 62.4456 31.8984 176.0112 161 K 4.3003 8.2921 122.0509 55.1377 32.7724 174.7981 162 P 4.8637 0.0000 0.0000 63.5310 32.5762 174.7675 163 Y 5.2061 7.7095 120.3252 56.4400 40.3790 175.9837 164 K 4.2400 9.8046 126.3864 57.7062 32.8635 175.7128 165 G 4.3841 7.9916 104.9253 45.7805 0.0000 173.1875 166 V 5.1192 8.2244 119.7284 60.5191 34.0024 173.8858 167 K 4.6789 9.3060 125.6576 54.4255 34.7511 175.7248 168 V 4.9097 8.1043 121.3540 60.1664 34.6338 174.4622 169 F 5.0171 8.2748 115.7590 55.5917 41.5692 172.5632 170 L 5.0742 8.2510 121.8729 53.6678 44.3405 174.9892 171 Q 4.5039 8.4248 124.3493 55.1961 33.2877 172.9106 172 D 5.0014 9.0282 124.2127 53.8022 41.7145 177.0672 173 K 3.7988 9.2600 126.3992 59.8382 32.2671 178.9392 174 W 3.0330 7.9268 116.0076 59.3620 27.6791 178.1613 175 V 2.7394 6.5731 119.0064 64.4590 30.6993 176.9905 176 I 3.9337 7.1512 109.4206 60.1277 37.9495 175.0982 177 A 4.5169 7.7358 124.4648 52.4789 18.8858 178.0837 178 G 4.3551 9.0222 112.1816 44.3452 0.0000 172.9833 179 D 4.4830 8.5152 116.8527 52.8904 40.3738 175.8053 180 L 5.1631 7.7696 120.1568 52.6700 44.7921 175.6786 181 A 4.6120 9.1910 124.3933 52.8135 18.6637 177.8493 182 G 4.0287 9.4996 108.9888 47.3378 0.0000 173.7054 183 S 4.2895 7.7917 112.3575 58.5495 65.0465 174.6682 184 G 3.7495 8.8872 110.3472 47.2705 0.0000 175.1968 185 N 4.3296 8.4325 122.7796 54.6281 38.0705 176.4358 186 T 4.1862 7.7174 107.2655 61.0860 69.8850 175.2303 187 T 3.3663 7.4179 111.1266 62.7571 67.8329 170.8445 188 N 5.2297 8.1023 123.0239 52.2590 42.0427 176.0960 189 I 3.0311 8.6912 122.9001 60.8657 38.4458 175.3559 190 G 4.9705 8.5319 113.6381 44.2025 0.0000 173.6530 191 S 5.2595 8.6531 119.5573 57.1185 64.6763 173.7902 192 I 3.8500 8.5594 114.2734 61.6109 38.0402 176.0813 193 H 5.0462 8.7813 124.3866 55.0574 29.3372 173.1283 194 A 4.5625 8.5015 125.6280 51.0185 22.8930 174.7418 195 H 4.7709 8.7952 112.3938 55.6142 30.0368 175.8254 196 Y 4.3500 9.2346 126.2486 61.9465 38.4742 179.7058 197 K 3.7121 8.2091 123.6181 60.0125 31.7331 180.3422 198 D 4.5820 8.2670 119.8155 56.9039 40.7257 179.0186 199 F 3.2918 7.5364 117.9562 60.3863 38.6978 178.0034 200 V 3.4107 6.9689 112.9498 64.8770 31.3301 178.9704 201 E 4.0161 8.2733 117.5514 58.5308 29.7551 179.1253 202 G 3.6892 7.5362 107.1075 47.6678 0.0000 176.0179 203 K 4.1253 7.9562 121.9868 53.1162 30.1522 179.2823 204 G 4.4886 7.6864 112.4720 43.6804 0.0000 170.3588 205 I 4.2118 7.1756 110.1009 60.7820 39.2421 176.0149 206 F 4.9342 7.9645 119.2685 56.9161 39.8226 175.4711 207 D 4.7118 9.7065 124.5816 56.9169 41.2851 176.8821 208 S 3.9574 7.6115 112.3505 56.2012 66.7599 174.9778 209 E 3.4143 7.1733 121.4580 58.6975 29.1966 177.9199 210 D 4.3113 7.7051 118.0040 57.2741 41.2881 177.6936 211 E 4.0852 8.3126 119.8928 58.9729 29.6524 178.3493 212 F 2.4559 7.9032 120.6554 60.9074 39.4090 177.1965 213 L 3.7003 8.0830 118.4567 57.7072 41.2049 179.0518 214 D 4.3813 7.9507 116.9973 57.2945 41.3937 177.2722 215 Y 3.4945 7.9233 120.3603 60.4438 38.5916 178.1687 216 W 4.1405 7.5428 117.2059 58.7029 29.2718 178.3134 217 R 4.2249 7.9029 117.5249 57.7414 29.6131 176.8308 218 N 4.8730 7.2491 112.9149 52.6717 39.4082 173.8919 219 Y 3.2886 7.5132 120.1500 57.2136 39.3291 175.1100 220 E 4.2716 7.0140 126.0230 55.1265 30.9711 176.8250 221 R 4.5948 8.8761 120.7483 58.3727 30.7616 177.7577 222 T 4.6483 7.3357 106.9388 59.6924 72.5974 175.4212 223 S 4.0736 8.5001 120.1912 62.5215 62.6848 177.5541 224 Q 4.0505 7.9532 121.7245 60.2732 27.8986 180.1236 225 L 4.2791 7.3886 119.2828 57.1150 42.0539 179.0648 226 R 3.8151 7.6689 119.6144 58.5570 29.8939 179.0596 227 N 4.4915 8.3463 121.7925 56.9873 37.5315 180.9511 228 D 5.2851 7.7109 117.0590 52.4424 41.8995 179.8145 229 K 4.6618 8.0685 118.9168 57.1601 33.9451 176.4389 230 Y 4.8800 7.5657 109.3322 56.2569 40.9452 174.5553 231 N 4.7748 9.1342 119.0125 52.9038 40.3600 173.4555 232 N 5.3069 7.7925 115.3539 51.5890 41.7587 174.6890 233 I 3.7229 9.1082 120.1725 64.2386 37.8356 177.7389 234 S 4.1614 8.2127 115.4980 61.8982 62.6999 176.3525 235 E 4.0891 9.0605 121.4649 59.6957 29.3136 178.8955 236 Y 3.5072 8.1861 119.4755 60.6190 38.8173 178.3803 237 R 3.7411 8.0934 118.8190 59.2153 30.2010 178.6031 238 N 4.4629 8.3261 116.9648 56.2771 38.9253 176.8303 239 W 4.1571 8.4517 130.2440 60.1939 30.7175 178.1929 240 I 3.1250 7.5172 119.6015 64.3774 36.3640 177.5134 241 Y 4.0655 7.6025 118.8435 60.9433 38.6653 178.2523 242 R 3.6611 7.6658 116.7384 56.9768 30.2340 176.9651 243 G 3.4476 7.5736 107.1369 46.2479 0.0000 173.4980 244 R 2.0000 7.0652 116.1004 56.4541 28.0226 177.6393 *245 K 4.3224 7.1160 122.2074 54.9385 32.3978 177.6982 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 S 8.19 4.43 0.00 4.02 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 3 L 8.33 3.29 0.00 1.53 1.64 0.78 -0.34 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 4 R 7.83 3.53 0.00 1.57 1.73 0.00 2.54 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.00 5 S 7.76 3.99 0.00 4.06 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 6 D 7.97 4.34 0.00 3.08 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 7 L 7.94 3.75 0.00 1.88 1.71 0.88 0.89 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 8 I 7.56 3.59 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.85 0.00 0.00 9 N 8.19 4.44 0.00 2.81 2.86 0.00 0.00 7.02 6.94 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 10 A 8.44 4.20 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 11 L 7.70 3.97 0.00 1.85 1.59 0.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *19 D 8.31 4.49 0.00 2.72 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 20 V 7.70 3.92 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 0.98 0.00 0.00 1.10 0.00 0.00 21 C 8.84 4.79 0.00 2.98 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 0.00 22 G 7.33 4.16 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 0.00 0.00 0.00 23 I 8.22 4.71 1.84 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 1.39 0.70 0.89 0.00 0.00 24 I 8.16 5.21 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.03 0.94 0.00 0.00 25 S 8.49 4.77 0.00 4.09 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 26 A 8.78 4.00 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 27 E 8.16 4.02 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 28 G 8.23 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 29 K 8.43 4.55 0.00 1.49 1.70 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.29 7.81 30 I 9.22 4.73 2.07 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 1.30 0.88 0.96 0.00 0.00 31 Y 9.23 4.82 0.00 2.89 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 32 P 0.00 4.87 0.00 2.14 2.08 0.00 3.77 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 2.55 2.43 0.00 33 L 8.36 4.61 0.00 1.62 1.52 0.86 0.80 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 34 G 8.38 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 0.00 0.00 0.00 35 S 8.45 4.43 0.00 3.65 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 36 D 7.71 4.79 0.00 2.63 2.44 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 37 T 8.43 4.65 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 1.21 0.00 0.00 38 K 7.91 4.29 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.06 7.81 39 V 7.53 3.67 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 0.95 0.00 0.00 0.86 0.00 0.00 40 L 7.45 3.13 0.00 1.18 0.64 -0.33 -0.23 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 41 S 7.93 4.15 0.00 4.02 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 42 T 7.35 3.81 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 1.15 0.00 0.00 43 I 7.54 3.49 1.13 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.43 0.00 0.00 44 F 7.79 4.31 0.00 2.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.18 4.22 0.00 2.01 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 0.00 2.24 2.22 0.00 46 L 7.90 4.29 0.00 1.80 1.81 0.91 0.76 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 47 F 8.60 4.25 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.04 4.39 0.00 4.24 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 49 R 7.99 3.86 0.00 1.98 2.18 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 50 P 0.00 4.17 0.00 2.01 2.02 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 51 I 7.65 3.61 1.94 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 1.50 0.51 0.87 0.00 0.00 52 I 7.58 3.57 1.40 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.55 0.00 0.00 53 N 8.15 4.30 0.00 2.93 2.88 0.00 0.00 6.88 5.58 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 54 K 8.16 3.91 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 55 I 7.72 3.72 1.85 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 1.43 0.98 0.94 0.00 0.00 56 A 8.35 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.17 3.98 0.00 2.02 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 2.25 2.21 0.00 58 K 7.39 4.09 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.39 7.81 59 H 7.72 5.14 0.00 3.33 3.63 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.35 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 61 Y 8.09 4.72 0.00 2.92 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 62 I 8.83 4.05 1.07 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.53 0.64 0.00 0.00 63 V 8.26 4.95 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 64 E 9.63 4.85 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 65 E 8.63 4.91 0.00 1.80 1.75 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 2.11 2.22 0.00 66 P 0.00 4.50 0.00 2.05 1.98 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 67 K 8.54 4.29 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 0.97 7.81 68 Q 7.51 4.40 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.05 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 69 Q 8.68 4.18 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.67 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 70 N 7.90 4.76 0.00 2.85 2.92 0.00 0.00 5.80 7.90 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 71 H 7.88 5.01 0.00 3.26 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.61 4.39 0.00 3.09 2.67 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.91 1.87 0.00 81 S 8.21 4.16 0.00 3.92 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 82 E 7.47 4.47 0.00 1.86 1.88 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 2.15 2.09 0.00 83 P 0.00 4.15 0.00 1.95 2.05 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 84 N 8.00 4.79 0.00 2.73 2.68 0.00 0.00 6.41 7.44 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 85 K 7.48 4.75 0.00 1.51 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.25 7.81 86 K 7.90 4.24 0.00 0.95 1.07 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 0.98 7.81 87 I 8.39 4.70 1.49 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 0.76 0.71 -0.37 0.00 0.00 88 A 8.85 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.70 5.06 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0.00 118 T 7.98 4.70 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 119 K 8.60 4.22 0.00 1.76 1.64 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.28 7.81 120 N 8.85 4.05 0.00 3.00 3.03 0.00 0.00 6.52 7.21 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 0.00 121 I 7.08 5.03 1.80 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 1.76 0.93 1.19 0.00 0.00 122 V 9.01 3.79 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 0.74 0.00 0.00 1.01 0.00 0.00 123 Y 7.67 4.77 0.00 3.03 2.84 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 0.00 124 P 0.00 4.64 0.00 2.41 2.11 0.00 4.07 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 2.21 2.18 0.00 125 F 9.93 4.43 0.00 3.27 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.94 4.52 0.00 2.83 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.79 0.56 0.00 0.00 135 G 7.55 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 0.00 0.00 0.00 0.00 136 Y 8.94 5.16 0.00 2.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 9.03 5.06 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 0.89 0.00 0.00 1.20 0.00 0.00 138 Y 8.55 5.41 0.00 3.40 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 0.00 139 T 8.95 5.41 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 0.00 140 R 8.63 4.53 0.00 1.60 1.72 0.00 3.28 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 141 V 8.48 3.59 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 0.83 0.00 0.00 1.01 0.00 0.00 *147 S 8.85 4.24 0.00 3.99 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 0.00 148 L 8.40 4.64 0.00 1.64 1.65 0.93 0.84 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 0.00 149 K 7.32 4.47 0.00 1.31 1.33 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.64 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.65 1.02 7.81 150 T 7.68 4.55 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 0.31 0.00 0.00 151 Y 8.68 5.00 0.00 2.87 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 0.00 152 N 8.94 5.36 0.00 2.31 2.62 0.00 0.00 7.50 8.15 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 0.00 153 I 8.50 4.17 1.89 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 1.30 0.98 0.93 0.00 0.00 154 N 7.95 4.53 0.00 2.84 2.87 0.00 0.00 6.84 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 0.00 155 E 8.34 4.62 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 156 L 7.98 3.84 0.00 1.72 1.73 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.20 4.38 0.00 2.81 2.91 0.00 0.00 5.73 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 0.00 158 E 8.39 4.52 0.00 1.94 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 2.15 2.11 0.00 159 I 6.79 3.49 1.57 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 0.68 0.00 0.00 160 P 0.00 4.33 0.00 2.17 2.05 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 161 K 8.29 4.30 0.00 1.54 1.36 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.28 7.81 162 P 0.00 4.86 0.00 2.14 2.31 0.00 3.85 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 2.33 2.00 0.00 163 Y 7.71 5.21 0.00 3.27 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 0.00 164 K 9.80 4.24 0.00 1.52 1.76 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.26 7.81 165 G 7.99 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.22 5.12 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 0.94 0.00 0.00 0.77 0.00 0.00 167 K 9.31 4.68 0.00 1.24 0.82 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.11 1.00 7.81 168 V 8.10 4.91 1.64 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 0.68 0.00 0.00 0.15 0.00 0.00 169 F 8.27 5.02 0.00 2.99 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 0.00 170 L 8.25 5.07 0.00 1.50 1.36 0.72 0.19 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 0.00 171 Q 8.42 4.50 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 172 D 9.03 5.00 0.00 2.39 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 0.00 173 K 9.26 3.80 0.00 1.98 1.88 0.00 1.86 0.00 0.00 1.98 0.00 0.00 3.31 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.36 1.56 7.81 174 W 7.93 3.03 0.00 3.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 6.57 2.74 1.61 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 0.57 0.00 0.00 -0.58 0.00 0.00 176 I 7.15 3.93 1.88 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 1.44 0.93 0.70 0.00 0.00 177 A 7.74 4.52 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 0.00 0.00 0.00 0.00 0.00 178 G 9.02 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 0.00 0.00 0.00 0.00 179 D 8.52 4.48 0.00 2.56 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 0.00 0.00 0.00 0.00 180 L 7.77 5.16 0.00 1.76 1.76 0.99 1.18 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 0.00 181 A 9.19 4.61 1.64 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 0.00 182 G 9.50 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 0.00 183 S 7.79 4.29 0.00 3.86 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 0.00 184 G 8.89 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 0.00 0.00 0.00 185 N 8.43 4.33 0.00 2.82 2.99 0.00 0.00 5.89 7.71 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 0.00 186 T 7.72 4.19 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 1.20 0.00 0.00 187 T 7.42 3.37 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 1.19 0.00 0.00 188 N 8.10 5.23 0.00 2.69 2.73 0.00 0.00 7.09 6.95 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 0.00 189 I 8.69 3.03 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.31 0.28 0.00 0.00 190 G 8.53 4.97 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 0.00 191 S 8.65 5.26 0.00 4.48 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 0.00 192 I 8.56 3.85 1.72 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.09 0.89 0.00 0.00 193 H 8.78 5.05 0.00 3.23 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.50 4.56 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 8.80 4.77 0.00 3.24 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.23 4.35 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 197 K 8.21 3.71 0.00 1.80 1.82 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 198 D 8.27 4.58 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.54 3.29 0.00 2.44 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 6.97 3.41 1.81 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 -0.14 0.00 0.00 0.74 0.00 0.00 201 E 8.27 4.02 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 202 G 7.54 3.69 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 0.00 0.00 0.00 203 K 7.96 4.13 0.00 1.74 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.25 7.81 204 G 7.69 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.18 4.21 1.59 0.00 0.00 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 1.01 -0.30 0.75 0.00 0.00 206 F 7.96 4.93 0.00 3.49 3.41 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 0.00 207 D 9.71 4.71 0.00 2.89 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 0.00 208 S 7.61 3.96 0.00 3.75 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 0.00 209 E 7.17 3.41 0.00 1.16 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 2.38 2.22 0.00 210 D 7.71 4.31 0.00 2.79 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 0.00 211 E 8.31 4.09 0.00 2.23 2.22 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 2.59 2.73 0.00 212 F 7.90 2.46 0.00 2.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 8.08 3.70 0.00 1.80 1.75 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 214 D 7.95 4.38 0.00 2.89 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 0.00 215 Y 7.92 3.49 0.00 2.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.54 4.14 0.00 2.95 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 0.00 217 R 7.90 4.22 0.00 1.86 2.02 0.00 3.20 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 218 N 7.25 4.87 0.00 2.69 2.62 0.00 0.00 6.93 7.34 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 0.00 219 Y 7.51 3.29 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 E 7.01 4.27 0.00 1.48 1.58 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 1.79 2.12 0.00 221 R 8.88 4.59 0.00 1.83 2.07 0.00 3.26 0.00 0.00 4.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 222 T 7.34 4.65 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 1.20 0.00 0.00 223 S 8.50 4.07 0.00 3.86 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 0.00 224 Q 7.95 4.05 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 225 L 7.39 4.28 0.00 1.60 1.59 0.86 0.82 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 0.00 226 R 7.67 3.82 0.00 1.81 1.69 0.00 2.23 0.00 0.00 2.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.40 0.00 227 N 8.35 4.49 0.00 2.78 2.74 0.00 0.00 6.73 7.81 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 0.00 228 D 7.71 5.29 0.00 2.66 2.53 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 0.00 229 K 8.07 4.66 0.00 1.47 0.93 0.00 1.64 0.00 0.00 1.33 0.00 0.00 2.47 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.33 0.77 7.81 230 Y 7.57 4.88 0.00 3.09 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 0.00 231 N 9.13 4.77 0.00 2.59 2.81 0.00 0.00 6.94 7.10 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 0.00 232 N 7.79 5.31 0.00 3.21 2.96 0.00 0.00 6.37 7.76 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 0.00 233 I 9.11 3.72 1.51 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.19 0.82 0.00 0.00 234 S 8.21 4.16 0.00 4.11 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 0.00 235 E 9.06 4.09 0.00 2.38 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 0.00 2.43 2.41 0.00 236 Y 8.19 3.51 0.00 2.48 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 0.00 237 R 8.09 3.74 0.00 2.16 1.98 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 238 N 8.33 4.46 0.00 2.84 3.04 0.00 0.00 6.86 8.12 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 0.00 239 W 8.45 4.16 0.00 3.55 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 I 7.52 3.12 1.82 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.20 0.76 0.00 0.00 241 Y 7.60 4.07 0.00 2.90 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 0.00 242 R 7.67 3.66 0.00 1.76 1.80 0.00 3.26 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 243 G 7.57 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 R 7.07 2.00 0.00 1.38 0.98 0.00 2.97 0.00 0.00 3.02 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 *245 K 7.12 4.32 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.