NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 P 4.6495 0.0000 0.0000 62.5090 32.8186 175.7643 30 Y 4.0998 8.4976 126.3090 57.4716 40.2862 173.1513 31 R 5.1314 8.6786 126.1856 54.4912 32.9711 175.0063 32 V 4.8596 8.8080 123.7387 59.9071 34.6638 174.4435 33 D 5.5147 8.5037 122.3637 52.5321 45.0158 174.4132 34 F 5.1076 9.0062 120.2109 55.7687 42.0687 174.5435 35 I 4.6567 8.5863 125.3725 60.1177 38.3264 174.8691 36 L 4.1217 8.7420 129.0927 53.4802 42.3410 176.9152 37 L 4.4428 8.0185 123.8006 52.7359 44.2131 176.2702 38 E 4.2420 8.2984 119.8964 58.5505 29.8988 177.2044 39 H 4.0569 9.7591 119.0296 56.3209 27.1513 175.0141 40 F 4.2890 7.7888 114.5299 56.7543 38.1458 174.9458 41 S 4.2925 8.6081 117.4100 58.0048 63.3550 174.7682 *43 A 4.3171 8.3633 123.1984 52.3205 20.2615 178.9069 44 S 4.1817 7.9030 108.7617 61.7140 62.2473 176.2501 45 F 4.4308 8.4396 122.2943 61.3255 39.0925 176.9207 46 T 3.5237 7.8052 109.2516 64.7113 68.8312 176.7204 47 V 3.5480 7.6658 122.3242 64.0047 30.6668 178.3212 48 A 3.9916 7.1990 117.4833 52.7888 17.8190 178.3386 *50 D 4.3835 8.1933 120.3629 55.5976 43.1109 177.8843 51 V 3.5127 7.4122 117.6867 65.8480 31.3787 178.0801 52 L 3.8062 7.3288 117.5667 57.6629 41.3499 179.5392 53 V 3.8589 7.4812 116.5224 66.2859 31.8263 177.7456 54 T 4.0106 8.2032 115.5774 66.4784 68.2725 176.4839 55 A 4.0487 8.0622 122.7380 55.3890 18.2368 179.4848 56 N 5.0615 8.1932 114.9938 55.7236 38.6029 177.3058 57 L 4.1777 7.7390 120.0852 57.3498 41.8075 178.7234 58 L 4.5228 7.7202 117.4086 55.5334 42.2842 176.8247 59 R 4.1977 8.4190 119.6177 54.5275 31.5346 174.0623 60 A 4.3227 8.6468 129.0412 53.0818 18.5512 176.1971 61 D 4.4384 8.7896 115.9178 54.2845 38.8509 176.0136 62 S 4.0385 7.6975 117.2510 61.1304 63.6297 174.0860 63 F 5.6415 9.1883 115.8070 55.9403 43.3983 174.2829 64 Q 4.2302 9.0876 120.1815 54.7859 32.5061 173.3474 65 F 6.0825 7.5708 118.5156 57.2222 41.4172 173.4012 66 T 4.9644 8.6216 115.1360 61.8891 73.1708 171.1447 67 P 5.0026 0.0000 0.0000 62.4848 33.0772 174.9713 68 L 5.3491 9.5874 123.9214 52.9548 45.4315 175.3025 69 S 4.7842 8.8330 116.2207 56.5224 65.2119 175.1691 70 L 4.1054 8.7140 126.4336 57.0928 41.8417 177.4393 71 D 4.6802 7.6554 116.5721 52.5788 42.0435 176.1700 72 G 4.1029 9.6349 109.3343 45.7625 0.0000 172.1873 73 D 5.0504 8.3230 116.9164 53.0093 40.7685 175.7313 74 R 5.2054 7.7549 116.3007 55.3175 34.6131 174.5581 75 V 4.6133 8.4865 121.8747 60.9136 35.2893 174.0324 76 L 4.5816 9.2080 130.7507 54.7558 43.0569 176.8417 77 S 3.5142 8.9344 122.5812 56.8830 64.6989 174.6971 78 D 4.2130 8.3567 119.0314 55.2263 39.1482 177.0617 79 L 4.1646 7.4434 118.8481 54.6629 41.9261 177.5299 80 G 3.9039 7.7485 108.1297 44.8030 0.0000 173.8338 81 L 4.4731 7.3737 119.4063 54.0688 43.5460 175.3362 82 E 5.5775 8.5687 120.4728 53.9007 32.3195 175.3236 83 L 4.8810 8.4565 122.6600 52.8032 45.2556 175.6190 84 V 4.4110 8.4171 122.3313 62.7664 32.2405 174.7509 85 A 4.9530 8.6033 128.7091 50.5320 22.8469 174.5480 86 T 4.5688 8.6248 115.2631 61.5253 70.8740 174.5444 87 E 4.4617 8.8159 127.4858 56.0521 30.2502 176.1965 88 L 4.1203 8.8833 129.3367 55.7666 42.6415 176.4111 89 S 4.5136 8.3922 117.9465 55.6748 65.7586 174.3301 90 A 3.9483 8.8759 129.5661 55.3849 18.1549 179.5046 91 A 3.9981 7.9877 116.7396 54.8333 18.2707 179.0653 92 A 4.1632 7.5710 118.7137 54.5464 18.7538 179.6240 93 L 4.1104 7.8569 121.1065 55.5777 41.2684 178.8463 94 K 4.3232 8.0886 123.4179 56.0186 34.0456 179.6308 95 E 4.5181 7.6653 110.8747 55.4554 29.8602 178.2914 96 L 4.3136 7.6100 119.8577 55.3803 42.0024 176.3460 97 D 4.6121 8.2409 123.0140 54.8833 41.9457 176.2984 98 L 4.6412 7.4364 119.2439 53.8686 46.3079 173.3728 99 L 5.0318 8.7625 126.5564 53.3059 45.6871 175.1437 100 V 4.8632 8.7622 125.2227 61.0225 35.4581 174.3955 101 V 4.4113 8.7157 126.6054 61.5729 33.3294 174.1258 102 C 4.8630 8.8908 127.4757 58.8090 29.7155 173.4198 103 G 4.8526 8.5880 111.9383 45.3581 0.0000 170.9330 104 G 3.9718 8.6872 106.6971 44.7198 0.0000 172.7951 105 L 4.0467 7.0869 119.6482 59.5120 42.1588 177.6173 106 R 4.1990 7.6881 115.7043 57.1509 30.1721 177.0975 107 T 4.1967 7.5442 116.8204 62.7111 68.8487 172.5420 108 P 4.5153 0.0000 0.0000 62.7932 32.3089 177.4750 109 L 5.0651 8.3986 123.8087 53.8459 41.2896 175.9567 110 K 4.7203 7.5970 125.1060 55.0596 32.8207 178.9729 111 Y 3.8674 8.6985 120.6789 57.4289 34.6095 167.6962 112 P 4.4184 0.0000 0.0000 65.4797 31.8720 179.2054 113 E 4.1502 8.2908 116.8281 58.0691 28.9245 177.7949 114 L 4.4521 7.5291 118.3951 55.4202 41.8479 176.9282 115 D 4.8402 7.8597 121.3947 56.8537 42.2297 179.2868 116 R 4.0195 7.9287 122.7566 62.0947 29.5588 181.3190 117 L 4.2002 7.6804 123.3465 59.1260 40.8450 181.1958 118 L 4.1561 7.7963 119.5726 57.8920 41.7492 179.1618 119 N 4.3744 8.2211 116.2817 56.5417 38.2006 177.2534 120 D 4.3669 8.1531 119.6977 57.5893 41.1851 178.3046 121 C 4.2916 8.1689 117.0879 62.6263 28.1369 175.9173 122 A 4.1466 8.4834 122.3824 54.3896 17.7221 178.6016 123 A 4.4121 7.7570 117.1006 53.0501 18.4294 177.0687 124 H 4.6163 7.7547 115.4469 55.1066 31.2883 174.1869 125 G 3.8814 7.9716 103.6594 45.6360 0.0000 172.9030 *127 A 4.4171 7.9524 119.2199 51.7559 20.3422 175.7721 128 L 5.3533 8.6134 119.5841 53.3285 46.5887 175.8700 129 G 4.9171 8.9372 107.9074 45.7268 0.0000 171.4022 130 G 4.7517 8.5196 104.7409 44.9109 0.0000 172.1136 131 L 4.9528 8.8762 122.2981 54.6648 45.5656 178.2300 132 W 3.4682 9.2061 134.1268 58.3616 30.5743 175.3763 133 N 4.8345 9.8191 111.5644 52.5154 37.8169 176.3282 134 G 4.1847 8.4548 103.8714 46.4785 0.0000 174.9874 135 A 4.4090 7.9824 125.7561 54.2346 18.8855 180.5297 *136 W 3.8223 7.5696 122.0550 61.6834 27.9885 183.5297 137 F 4.6749 7.7971 120.5837 60.5020 38.1129 178.2040 138 L 4.3470 7.7646 121.9066 59.1169 40.9804 184.1418 139 G 4.0015 8.2435 105.3945 47.1758 0.0000 174.9160 140 R 4.5870 7.4191 118.0666 54.1437 31.0272 176.0895 141 A 4.3588 8.6754 131.4780 52.3842 25.7294 181.0456 142 G 4.0910 9.1602 106.5953 45.1741 0.0000 171.9413 *154 P 4.2376 0.0000 0.0000 62.9442 33.8241 179.2548 155 E 3.6453 7.0999 122.0658 59.0692 26.1227 178.8115 156 Q 3.8418 8.2556 119.6557 57.5254 28.3962 180.0422 157 R 4.5211 7.0680 121.1270 56.6066 28.3918 182.0215 *172 S 4.7505 7.8028 111.6660 57.6211 65.9632 172.3625 173 F 5.1544 7.7289 113.1812 55.9868 41.7459 174.0878 174 T 4.1578 8.7470 112.3530 62.7211 73.4349 173.0626 175 L 4.8258 8.7880 126.7612 53.2557 43.3514 175.6445 176 D 4.6240 8.7456 124.8590 52.6264 41.8280 178.5898 177 R 3.9270 8.9555 127.2761 56.5914 29.5495 176.5985 178 D 5.0367 8.7389 119.6538 53.7154 41.8263 177.4347 179 R 4.7004 8.6710 119.3997 55.6007 32.8484 174.7320 180 L 4.9226 8.8012 124.2605 54.3249 43.9883 175.6888 181 S 5.2043 8.8794 114.1228 58.4051 66.3925 172.6298 182 A 5.0054 8.1399 120.6837 51.0132 21.9677 176.3407 183 A 5.3970 9.2519 121.8933 50.3353 20.3072 176.0951 184 S 4.4084 7.8138 110.5580 57.5534 65.6382 173.7706 185 P 4.3583 0.0000 0.0000 65.9374 31.2311 177.7809 186 N 4.4599 8.2350 115.1474 56.2468 39.3880 176.1465 187 G 3.8050 8.0893 106.8972 47.5428 0.0000 175.8016 188 A 4.2054 7.9087 121.3646 52.5577 17.8481 178.2151 *190 E 3.9912 8.3016 121.0680 57.8332 31.2298 178.1102 191 L 3.8241 7.3164 117.0119 56.5461 42.3262 178.1792 *193 L 4.2641 7.9972 118.6908 54.7369 43.7239 179.3647 194 G 3.6106 8.5003 105.6738 47.5145 0.0000 175.5416 195 L 4.0204 7.7746 122.6156 58.0699 42.1133 179.3386 196 V 4.0008 7.7119 117.8088 66.0224 31.7735 177.8545 197 R 4.7235 8.3528 120.1806 58.5260 29.5879 178.5069 198 R 3.9359 7.8131 117.8744 59.1495 30.4908 178.0546 199 L 3.9158 7.7193 115.9595 56.4243 41.5934 177.2034 200 Y 4.6248 8.3864 113.3964 56.5886 41.2492 174.7483 201 G 3.8717 7.9981 105.8453 44.5525 0.0000 174.4476 202 D 4.4863 8.7044 117.6711 57.2392 40.7015 178.4861 203 G 3.6998 8.2392 106.0360 48.1313 0.0000 175.0455 204 L 3.9906 7.8778 121.6875 57.2862 42.2174 179.2962 205 A 4.1134 8.1272 122.8024 55.7874 18.2725 179.9636 206 E 4.1117 8.8212 117.5253 60.9556 29.5771 181.6409 207 G 3.8088 7.9579 105.5860 47.7721 0.0000 175.6687 208 V 3.7319 7.8078 120.8483 65.7619 31.3573 177.7345 209 E 4.0162 7.9344 119.9880 59.8574 29.4428 178.9561 210 E 4.1739 7.6898 117.7595 60.4571 30.2180 182.6318 211 I 4.1022 7.5352 118.9960 64.7460 37.2020 178.3803 212 L 4.1236 7.9608 117.5102 57.0091 41.4392 177.4200 213 S 4.2712 7.4985 118.0071 58.5684 63.6236 173.6202 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 29 P 0.00 4.65 0.00 2.09 2.30 0.00 3.35 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 30 Y 8.50 4.10 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.68 5.13 0.00 1.91 1.75 0.00 3.09 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 32 V 8.81 4.86 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 1.22 0.00 0.00 0.50 0.00 0.00 33 D 8.50 5.51 0.00 2.62 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 34 F 9.01 5.11 0.00 2.86 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 35 I 8.59 4.66 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.72 0.00 0.00 36 L 8.74 4.12 0.00 0.98 0.26 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.02 4.44 0.00 1.51 1.19 0.31 0.32 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 38 E 8.30 4.24 0.00 2.24 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 0.00 2.51 2.57 0.00 39 H 9.76 4.06 0.00 3.35 3.36 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.79 4.29 0.00 3.23 3.31 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 41 S 8.61 4.29 0.00 3.25 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 *43 A 8.36 4.32 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 44 S 7.90 4.18 0.00 4.27 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 0.00 45 F 8.44 4.43 0.00 3.07 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.81 3.52 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 1.16 0.00 0.00 47 V 7.67 3.55 2.04 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 0.91 0.00 0.00 0.87 0.00 0.00 48 A 7.20 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 D 8.19 4.38 0.00 2.72 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 51 V 7.41 3.51 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 0.90 0.00 0.00 0.87 0.00 0.00 52 L 7.33 3.81 0.00 1.46 1.75 0.93 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.48 3.86 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 0.92 0.00 0.00 0.83 0.00 0.00 54 T 8.20 4.01 4.40 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 1.20 0.00 0.00 55 A 8.06 4.05 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 0.00 0.00 0.00 0.00 0.00 56 N 8.19 5.06 0.00 3.03 2.97 0.00 0.00 7.00 7.22 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 57 L 7.74 4.18 0.00 1.86 1.73 0.92 0.83 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 58 L 7.72 4.52 0.00 1.72 1.70 0.92 0.78 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 59 R 8.42 4.20 0.00 1.63 1.55 0.00 2.97 0.00 0.00 2.66 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 60 A 8.65 4.32 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 61 D 8.79 4.44 0.00 2.99 2.89 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 62 S 7.70 4.04 0.00 3.81 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 63 F 9.19 5.64 0.00 3.20 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 64 Q 9.09 4.23 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.61 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 65 F 7.57 6.08 0.00 3.25 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.62 4.96 4.50 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 1.27 0.00 0.00 67 P 0.00 5.00 0.00 2.03 2.25 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 68 L 9.59 5.35 0.00 1.45 1.52 0.92 0.56 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 69 S 8.83 4.78 0.00 3.75 3.68 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 70 L 8.71 4.11 0.00 1.72 1.74 0.93 0.91 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 71 D 7.66 4.68 0.00 2.75 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 72 G 9.63 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 0.00 0.00 0.00 73 D 8.32 5.05 0.00 2.73 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 74 R 7.75 5.21 0.00 1.67 1.83 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 75 V 8.49 4.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.88 0.00 0.00 76 L 9.21 4.58 0.00 1.78 1.61 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.93 3.51 0.00 2.89 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 78 D 8.36 4.21 0.00 2.49 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.16 0.00 1.54 1.65 0.86 0.92 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 80 G 7.75 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 81 L 7.37 4.47 0.00 1.53 1.57 0.90 0.85 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 82 E 8.57 5.58 0.00 1.83 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 2.21 2.13 0.00 83 L 8.46 4.88 0.00 1.70 1.61 1.25 1.16 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 84 V 8.42 4.41 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 0.84 0.00 0.00 0.95 0.00 0.00 85 A 8.60 4.95 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 86 T 8.62 4.57 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 87 E 8.82 4.46 0.00 1.97 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 2.28 2.42 0.00 88 L 8.88 4.12 0.00 1.61 1.54 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.39 4.51 0.00 3.81 3.61 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 90 A 8.88 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.99 4.00 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 92 A 7.57 4.16 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 93 L 7.86 4.11 0.00 1.71 1.66 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.09 4.32 0.00 1.75 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 0.96 7.81 95 E 7.67 4.52 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 2.19 2.13 0.00 96 L 7.61 4.31 0.00 1.55 1.57 0.95 1.07 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 97 D 8.24 4.61 0.00 1.68 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 98 L 7.44 4.64 0.00 1.73 1.41 0.99 0.36 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 99 L 8.76 5.03 0.00 1.69 1.36 0.84 0.49 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 0.00 100 V 8.76 4.86 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 1.08 0.00 0.00 0.50 0.00 0.00 101 V 8.72 4.41 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 1.02 0.00 0.00 0.92 0.00 0.00 102 C 8.89 4.86 0.00 2.76 2.86 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 0.00 103 G 8.59 4.85 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 0.00 0.00 0.00 104 G 8.69 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.09 4.05 0.00 1.53 1.58 1.28 1.04 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 0.00 106 R 7.69 4.20 0.00 1.84 1.89 0.00 3.44 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 107 T 7.54 4.20 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 1.55 0.00 0.00 108 P 0.00 4.52 0.00 2.15 2.07 0.00 3.99 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 2.18 2.02 0.00 109 L 8.40 5.07 0.00 1.74 1.73 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.60 4.72 0.00 1.27 0.74 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.44 7.81 111 Y 8.70 3.87 0.00 2.78 2.86 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 0.00 112 P 0.00 4.42 0.00 2.22 2.31 0.00 3.68 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 2.07 1.94 0.00 113 E 8.29 4.15 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 114 L 7.53 4.45 0.00 1.82 1.74 0.28 0.62 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 0.00 115 D 7.86 4.84 0.00 2.69 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 0.00 116 R 7.93 4.02 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 117 L 7.68 4.20 0.00 1.60 1.71 0.92 1.04 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 0.00 118 L 7.80 4.16 0.00 1.76 1.76 1.03 0.71 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 186 N 8.24 4.46 0.00 2.70 2.87 0.00 0.00 6.93 7.98 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 0.00 187 G 8.09 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 0.00 188 A 7.91 4.21 1.44 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 0.00 0.00 *190 E 8.30 3.99 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.00 0.00 191 L 7.32 3.82 0.00 1.94 1.87 1.17 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *193 L 8.00 4.26 0.00 1.83 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.50 3.61 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 0.00 0.00 0.00 195 L 7.77 4.02 0.00 1.78 1.71 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.71 4.00 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 1.17 0.00 0.00 1.09 0.00 0.00 197 R 8.35 4.72 0.00 2.01 2.12 0.00 3.22 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 198 R 7.81 3.94 0.00 1.92 2.15 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 199 L 7.72 3.92 0.00 1.17 0.86 -0.15 0.30 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 0.00 200 Y 8.39 4.62 0.00 3.19 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 0.00 201 G 8.00 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 0.00 0.00 0.00 202 D 8.70 4.49 0.00 2.80 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 0.00 203 G 8.24 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 0.00 204 L 7.88 3.99 0.00 1.78 1.73 0.88 0.81 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 0.00 205 A 8.13 4.11 1.47 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 0.00 206 E 8.82 4.11 0.00 1.95 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 2.24 2.19 0.00 207 G 7.96 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 0.00 208 V 7.81 3.73 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 1.02 0.00 0.00 1.03 0.00 0.00 209 E 7.93 4.02 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 2.31 2.30 0.00 210 E 7.69 4.17 0.00 2.06 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 2.26 2.22 0.00 211 I 7.54 4.10 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.90 0.00 0.00 212 L 7.96 4.12 0.00 1.56 1.71 0.98 0.72 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 0.00 213 S 7.50 4.27 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.