NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.8636 8.2893 120.3201 55.5929 33.0441 174.2546 4 I 4.6522 8.3594 117.6121 58.9712 40.5510 173.2924 5 G 4.2119 9.3396 110.9580 44.6138 0.0000 172.6134 6 Y 5.2216 8.1686 120.7110 55.3164 42.3729 174.0363 7 F 5.2743 9.5159 119.7082 56.0423 41.1928 174.6305 8 A 5.1367 9.2931 126.7260 50.6696 21.3554 175.0705 9 E 4.9542 8.8512 121.5277 54.6279 31.1722 175.2173 10 I 4.7603 8.7165 127.1827 59.1974 41.8851 174.8233 11 D 5.1676 8.4442 127.3542 51.4446 41.4847 177.4288 12 S 4.3300 8.8233 114.8837 61.8273 62.7610 176.6904 13 E 4.0009 8.2317 119.6565 59.6541 29.1561 179.2594 14 K 4.0177 8.7358 119.8979 58.9638 32.1248 179.2869 15 I 3.6567 7.8922 119.0654 64.0593 37.8315 177.7491 16 N 4.5304 8.2944 117.5660 56.2157 38.1048 177.2245 17 Q 3.9498 7.7771 120.2497 58.8915 29.3282 177.6994 18 L 4.0860 8.1192 121.6555 58.3417 42.0195 179.0972 19 L 4.0887 8.2897 117.4936 57.5086 41.5839 178.9485 20 E 4.1920 8.2296 117.7342 56.7330 29.6734 178.6180 21 S 4.1229 8.0783 115.6755 59.7120 62.2123 175.2713 *27 M 4.2378 9.0737 122.1345 55.4597 32.9700 175.7591 28 D 4.3240 8.1565 119.4259 56.3845 41.6705 175.0467 29 N 4.3488 8.9162 124.0478 54.3967 35.7954 176.3666 30 I 3.6721 7.8379 120.0708 64.1955 38.9128 175.5400 31 H 4.8688 7.4880 119.3110 53.3506 27.5316 172.6751 32 D 4.4876 7.3831 125.5186 55.4101 46.4100 177.9090 33 T 4.0849 8.2019 114.7161 65.6103 68.8981 175.0724 34 L 4.5309 7.8129 119.1542 54.4353 42.8861 178.0535 35 S 4.1297 7.4419 112.5736 61.0243 62.1794 175.1165 36 G 3.9616 7.9508 105.7463 45.1237 0.0000 173.0681 37 L 4.5242 7.9055 120.2789 52.9947 43.2302 176.5271 38 R 4.2980 8.2520 122.4538 56.6463 31.2635 175.2719 39 R 5.1839 8.2705 120.0651 54.9503 33.0459 173.6361 40 L 4.5813 8.9960 122.9593 53.8372 43.7052 174.4105 41 D 5.3359 8.8427 126.7417 52.1358 42.9554 175.9527 42 I 4.6248 8.6476 120.5341 60.6320 39.3502 176.6623 43 D 4.1792 8.4382 125.7664 56.8826 41.6563 174.5990 44 K 4.9577 8.8617 111.6312 56.6841 32.3960 177.0476 45 R 4.1552 8.1372 116.7866 55.8397 30.2667 177.7739 46 W 4.3463 7.7023 119.1791 59.7108 28.1379 177.5336 47 D 4.3776 6.5869 118.0437 56.5556 40.6123 178.0789 48 F 4.7252 7.5729 118.2840 60.4306 38.9127 177.1426 49 L 4.0303 8.1539 120.0598 58.3708 41.9787 178.4088 50 H 4.1225 8.4886 118.2082 59.3220 29.8591 176.9479 51 F 4.9063 8.5393 124.2677 60.9873 39.0920 177.3213 52 G 4.0161 8.7716 104.4740 47.3964 0.0000 174.7903 53 L 4.4473 7.6954 119.4141 55.6844 42.3479 177.9538 54 T 4.4958 7.9359 107.3234 60.4454 70.4218 175.3101 55 G 3.4276 8.4622 109.4048 45.2021 0.0000 172.4279 56 T 4.9287 7.6931 108.9252 59.6487 72.2866 172.8398 57 S 4.8039 8.5242 115.2263 57.0397 63.4903 174.7107 58 A 3.4459 9.0725 128.7674 54.7165 18.1098 179.0282 59 F 4.7364 8.0090 113.0616 59.5072 39.7694 175.7580 60 D 4.8401 7.9926 119.4231 52.8059 42.1970 172.7881 61 P 4.6985 0.0000 0.0000 61.6285 32.8386 176.8100 62 A 4.2758 8.2542 122.1241 51.6169 19.0634 177.9146 63 K 4.0232 8.4736 119.9173 57.6555 33.2442 176.9191 64 N 3.9371 8.4564 118.7012 54.8174 37.0396 174.3590 65 D 4.7886 7.3804 118.1603 51.5653 42.2641 174.1938 66 P 4.3123 0.0000 0.0000 65.9410 31.1910 178.2003 67 L 4.0590 8.1324 118.6543 57.3995 41.5136 179.2529 68 S 4.1210 8.1815 113.4379 61.4411 62.2961 176.4541 69 R 4.3352 8.0096 119.9046 58.8682 29.6128 178.6300 70 A 3.9756 7.7948 120.2498 54.3073 18.3343 179.0346 71 V 4.1290 7.0658 114.4331 65.1469 32.6830 177.2705 72 L 4.0333 8.4107 118.1076 55.3301 41.9885 177.3918 73 G 4.3177 7.9763 105.8987 44.4140 0.0000 173.8641 74 E 4.1150 8.5385 120.3375 58.5674 30.3223 177.2597 75 H 4.7918 8.6751 117.2414 53.8827 32.3115 173.2969 76 S 4.6236 8.8444 118.9149 57.4757 61.2141 173.3169 77 L 4.2761 8.7436 128.1928 57.2496 42.3310 176.9037 78 E 4.5698 7.5879 117.2932 55.4079 33.5456 174.0187 79 D 3.9596 8.2470 117.2462 54.0018 42.5060 175.7436 *82 D 4.2500 8.4041 130.7036 53.6077 42.2202 177.0497 83 G 3.6625 7.7855 105.1395 45.8176 0.0000 173.1234 84 F 4.5417 8.1515 121.4972 57.0009 40.8613 174.7665 85 L 4.8410 8.7247 123.4993 53.7547 45.0938 175.1523 86 G 5.0692 9.0959 113.0399 43.3400 0.0000 170.6921 87 L 5.2639 9.2270 122.9763 53.2651 45.9750 175.5948 88 T 4.9451 8.6117 121.1855 61.4136 72.1125 173.9958 89 W 4.5232 9.6695 127.5402 56.2029 29.9770 177.0399 90 N 4.4883 9.5716 118.8505 57.2714 38.0996 176.9531 91 Q 4.1837 8.3479 117.0793 57.7054 29.0362 176.9791 92 E 4.5800 8.5603 119.0713 56.5827 30.9465 177.9277 93 L 3.7887 7.6611 119.6555 57.5605 41.5414 178.9643 94 A 3.9845 8.0786 119.9887 55.2708 18.2208 179.4220 95 A 3.9156 7.8853 118.5618 55.5526 18.5388 179.8349 96 T 3.7635 7.5959 114.3579 66.7945 68.4172 176.9964 97 I 3.7565 8.2306 122.0283 64.5162 37.2214 178.0706 98 D 4.2959 8.4184 119.1540 57.0831 40.7591 178.2789 99 R 3.8668 7.9543 118.7716 59.4501 30.1646 178.2683 100 L 4.1536 7.9357 118.8174 57.8683 41.4362 179.3407 101 E 4.0374 8.2999 117.5117 59.0430 29.4513 179.0667 102 S 4.2855 7.8584 114.1601 59.5709 63.3622 174.8303 103 L 3.9571 6.9482 121.4465 55.0745 42.0517 176.7094 104 D 4.6333 8.5508 121.7717 53.3360 42.1833 177.3385 105 R 4.0203 8.5867 126.6980 59.5877 30.1932 178.5845 106 N 4.2974 8.2279 115.9232 56.2058 38.4862 177.0604 107 E 3.8839 8.2950 120.0725 59.3336 29.8740 178.6291 108 L 4.0326 8.1201 119.1140 57.8422 41.4864 179.5470 109 R 2.5482 7.9513 117.8496 58.8817 30.0034 178.0570 110 K 3.9596 7.9006 118.4228 59.6971 32.2199 178.3958 111 Q 4.1752 7.8731 117.0882 56.9574 28.9439 176.4073 112 F 4.3631 7.4918 123.0325 57.8577 40.0827 174.8674 113 S 4.5956 7.9690 121.0004 55.7663 65.3583 174.3899 114 I 3.4465 9.4563 130.3409 63.7178 37.7206 178.1636 115 K 3.9407 7.8293 119.2588 59.4780 31.9254 179.3439 116 R 3.9629 7.9273 118.3806 58.9910 29.4754 178.8695 117 L 3.1327 7.8463 120.1850 57.9895 41.7274 178.8583 118 N 4.2990 8.2428 116.5837 56.2221 38.2320 177.1255 119 E 3.9489 8.0461 119.7854 59.4029 29.9225 178.1019 120 M 4.2495 8.2477 115.9193 54.8889 33.4855 175.9289 121 E 3.7331 7.4834 117.7652 57.3213 27.6844 175.0733 122 I 3.9352 7.4130 119.6351 60.8846 38.3861 176.0345 123 Y 4.2396 8.8858 126.3552 57.4767 38.9474 174.4897 124 P 2.9700 0.0000 0.0000 62.6226 31.2028 176.8977 125 G 3.7835 8.5378 106.7039 46.1565 0.0000 174.1494 126 V 4.0015 7.1309 111.5984 59.9569 33.0128 175.9674 127 T 4.3355 7.8013 119.0029 62.8408 69.4845 174.3683 128 F 5.0108 8.7098 122.8728 55.3157 42.1665 175.9234 129 S 4.3224 8.5828 119.6954 58.8220 62.9058 175.4480 130 E 4.2143 8.6929 122.2850 58.4669 29.4973 178.6435 131 E 4.1333 8.0809 117.3602 58.1696 30.0259 177.7364 132 L 4.4548 7.7671 118.5503 54.4097 41.6888 177.5479 133 E 4.1290 7.8710 120.9778 59.6345 29.4331 178.9839 134 G 3.7655 8.1632 104.7476 48.0809 0.0000 175.2691 135 Q 3.9635 8.0194 120.2017 58.4563 28.8425 178.4602 136 L 3.6521 8.2449 121.6683 57.9632 42.0271 178.6687 137 F 3.2428 8.3203 120.4638 61.0740 39.3057 176.8210 138 A 3.7636 8.2214 120.5429 55.2459 18.2535 179.5385 139 S 3.9582 8.1580 111.7702 61.4764 62.3213 176.5343 140 I 3.6550 7.4243 122.5351 64.5851 36.7466 178.3454 141 M 3.7474 7.5883 119.5844 57.9262 31.6358 178.6470 142 L 3.8480 7.6586 120.6060 58.2377 42.2425 178.7725 143 D 4.3446 7.8928 118.5045 57.4596 40.6344 178.4385 144 M 3.8723 8.1920 118.9838 58.6981 32.2430 178.1877 145 E 3.9058 8.2995 118.8481 59.2623 29.5780 179.5374 146 K 3.9478 7.9767 118.6899 59.1001 31.9874 179.2338 147 L 3.3971 7.8531 120.7620 57.8935 41.8923 178.9012 148 I 3.6522 7.7553 120.0830 64.7100 37.0616 178.5835 149 S 4.0828 8.0333 115.5348 61.3409 62.5160 176.7096 150 A 3.9225 7.7853 123.4376 55.4345 18.1221 179.2417 151 Y 4.3857 8.0066 115.6196 61.4990 37.9462 179.1994 152 R 3.9936 8.3304 119.0610 59.0861 30.1471 179.1445 153 R 3.8661 8.0381 118.4667 59.7564 30.1205 178.3341 154 M 4.2313 8.2478 118.6150 58.3732 32.0295 178.4865 155 L 3.9253 8.3187 120.6447 58.3755 42.1199 179.1326 156 R 3.9636 7.8684 116.9382 59.0273 30.0818 177.5009 157 Q 4.3761 8.0689 115.4376 55.4779 29.0673 176.5781 158 G 3.8387 7.7557 108.2225 45.7285 0.0000 173.1223 159 N 4.7204 8.0746 118.2180 52.0360 41.5235 173.2897 160 H 5.0771 9.0865 115.8428 54.2374 32.8440 173.0745 161 A 5.2454 8.7796 121.8763 50.3615 21.7945 175.8394 162 L 5.0691 8.8850 121.2536 53.2669 45.2088 175.7135 163 T 4.6453 8.8585 121.7501 62.2758 70.3465 174.0166 164 V 4.2956 8.2270 126.6970 60.8971 34.3967 174.3019 165 I 4.4258 8.1057 129.0846 59.8238 40.4281 176.1012 166 V 3.8923 8.0007 126.1667 62.2311 31.5449 172.8639 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 3 M 8.29 4.86 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 4 I 8.36 4.65 2.03 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 1.05 0.00 0.00 5 G 9.34 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 6 Y 8.17 5.22 0.00 3.06 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 7 F 9.52 5.27 0.00 2.92 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 8 A 9.29 5.14 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 9 E 8.85 4.95 0.00 2.02 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 2.25 2.25 0.00 10 I 8.72 4.76 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.90 0.00 0.00 11 D 8.44 5.17 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.82 4.33 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.23 4.00 0.00 2.22 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 0.00 2.56 2.43 0.00 14 K 8.74 4.02 0.00 1.87 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.66 7.81 15 I 7.89 3.66 1.76 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 0.92 1.02 0.98 0.00 0.00 16 N 8.29 4.53 0.00 3.06 2.91 0.00 0.00 6.63 8.06 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 17 Q 7.78 3.95 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 18 L 8.12 4.09 0.00 1.86 1.86 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.29 4.09 0.00 1.65 1.76 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.23 4.19 0.00 2.17 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 2.36 2.46 0.00 21 S 8.08 4.12 0.00 3.95 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 M 9.07 4.24 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 28 D 8.16 4.32 0.00 2.64 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 29 N 8.92 4.35 0.00 2.98 2.95 0.00 0.00 6.75 7.32 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 30 I 7.84 3.67 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.99 0.00 0.00 31 H 7.49 4.87 0.00 3.12 3.31 0.00 5.94 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.38 4.49 0.00 2.71 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 33 T 8.20 4.08 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 34 L 7.81 4.53 0.00 1.77 1.74 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.44 4.13 0.00 3.91 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.91 4.52 0.00 1.65 1.76 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.25 4.30 0.00 1.89 1.80 0.00 3.17 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 39 R 8.27 5.18 0.00 2.08 1.82 0.00 3.11 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 0.00 40 L 9.00 4.58 0.00 1.84 1.78 0.96 1.02 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 41 D 8.84 5.34 0.00 2.70 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 42 I 8.65 4.62 2.04 0.00 0.00 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 1.53 1.01 1.15 0.00 0.00 43 D 8.44 4.18 0.00 2.94 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 0.00 0.00 0.00 44 K 8.86 4.96 0.00 1.80 1.92 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.58 7.81 45 R 8.14 4.16 0.00 2.06 2.17 0.00 3.30 0.00 0.00 3.35 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 46 W 7.70 4.35 0.00 3.58 3.32 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 47 D 6.59 4.38 0.00 1.58 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.57 4.73 0.00 3.31 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.15 4.03 0.00 1.92 2.04 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.49 4.12 0.00 3.49 3.69 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.54 4.91 0.00 3.39 3.51 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 52 G 8.77 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 53 L 7.70 4.45 0.00 1.56 1.70 0.97 1.21 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 54 T 7.94 4.50 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 1.14 0.00 0.00 55 G 8.46 3.43 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 0.00 56 T 7.69 4.93 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 57 S 8.52 4.80 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 58 A 9.07 3.45 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.01 4.74 0.00 3.28 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 60 D 7.99 4.84 0.00 2.72 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 61 P 0.00 4.70 0.00 2.30 2.13 0.00 3.53 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 62 A 8.25 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.47 4.02 0.00 1.78 1.78 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.46 7.81 64 N 8.46 3.94 0.00 2.76 2.78 0.00 0.00 6.82 8.47 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 65 D 7.38 4.79 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.31 0.00 2.29 2.30 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 67 L 8.13 4.06 0.00 1.88 1.73 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.18 4.12 0.00 3.94 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 69 R 8.01 4.34 0.00 2.04 2.05 0.00 3.18 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 70 A 7.79 3.98 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 71 V 7.07 4.13 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 1.13 0.00 0.00 1.03 0.00 0.00 72 L 8.41 4.03 0.00 1.66 1.57 0.64 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.98 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 0.00 0.00 0.00 0.00 74 E 8.54 4.11 0.00 2.02 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 2.31 2.45 0.00 75 H 8.68 4.79 0.00 3.08 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.84 4.62 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.74 4.28 0.00 1.55 1.69 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.59 4.57 0.00 1.91 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 2.23 2.20 0.00 79 D 8.25 3.96 0.00 2.59 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 *82 D 8.40 4.25 0.00 2.63 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 83 G 7.79 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 84 F 8.15 4.54 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.72 4.84 0.00 1.65 1.40 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.10 5.07 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 0.00 0.00 0.00 87 L 9.23 5.26 0.00 1.50 1.33 0.36 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.61 4.95 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 89 W 9.67 4.52 0.00 3.49 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 90 N 9.57 4.49 0.00 2.95 2.99 0.00 0.00 6.97 6.80 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 91 Q 8.35 4.18 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 92 E 8.56 4.58 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 93 L 7.66 3.79 0.00 1.75 1.64 0.98 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.08 3.98 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 95 A 7.89 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.60 3.76 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 97 I 8.23 3.76 2.03 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 0.79 0.97 0.00 0.00 98 D 8.42 4.30 0.00 2.84 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 99 R 7.95 3.87 0.00 2.09 1.94 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 100 L 7.94 4.15 0.00 1.91 1.70 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.30 4.04 0.00 1.93 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 2.34 2.57 0.00 102 S 7.86 4.29 0.00 4.05 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 0.00 103 L 6.95 3.96 0.00 1.72 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.55 4.63 0.00 2.71 2.66 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 0.00 105 R 8.59 4.02 0.00 1.98 2.07 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 0.00 114 I 9.46 3.45 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.92 0.00 0.00 115 K 7.83 3.94 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.50 7.81 116 R 7.93 3.96 0.00 2.22 2.18 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 117 L 7.85 3.13 0.00 1.14 1.57 0.89 0.71 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 0.00 118 N 8.24 4.30 0.00 2.87 2.80 0.00 0.00 6.71 7.84 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 0.00 119 E 8.05 3.95 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 120 M 8.25 4.25 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 121 E 7.48 3.73 0.00 2.05 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 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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 0.00 139 S 8.16 3.96 0.00 3.84 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 0.00 140 I 7.42 3.66 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.49 0.75 0.00 0.00 141 M 7.59 3.75 0.00 1.78 1.86 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.28 0.00 142 L 7.66 3.85 0.00 1.70 1.79 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.89 4.34 0.00 2.91 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 0.00 144 M 8.19 3.87 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 145 E 8.30 3.91 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 146 K 7.98 3.95 0.00 1.91 1.80 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.61 7.81 147 L 7.85 3.40 0.00 1.27 1.44 -0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.76 3.65 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.49 0.91 0.00 0.00 149 S 8.03 4.08 0.00 3.97 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 0.00 150 A 7.79 3.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.01 4.39 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 0.00 152 R 8.33 3.99 0.00 2.01 2.00 0.00 3.33 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 153 R 8.04 3.87 0.00 1.99 2.12 0.00 3.11 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 0.00 154 M 8.25 4.23 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.62 0.00 155 L 8.32 3.93 0.00 1.79 1.90 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.87 3.96 0.00 1.87 2.21 0.00 3.31 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 157 Q 8.07 4.38 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.82 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 158 G 7.76 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 0.00 159 N 8.07 4.72 0.00 2.63 2.91 0.00 0.00 6.80 8.06 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 0.00 160 H 9.09 5.08 0.00 2.90 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.78 5.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.88 5.07 0.00 1.56 1.49 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.86 4.65 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 0.99 0.00 0.00 164 V 8.23 4.30 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.62 0.00 0.00 165 I 8.11 4.43 1.49 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.04 -0.73 0.00 0.00 166 V 8.00 3.89 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 0.52 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.