NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 L 3.9119 8.0433 120.5930 55.8684 42.9642 177.0024 30 C 3.6527 8.6370 118.2326 59.8839 25.6898 171.4946 31 D 4.5604 8.0840 121.9444 53.7469 41.9693 176.4840 32 S 4.3749 8.3968 119.7219 57.8730 63.6514 174.2284 33 L 4.1141 8.4099 123.7231 54.5798 41.9373 175.5431 34 P 4.8047 0.0000 0.0000 62.3314 32.8069 175.2290 35 T 4.7516 8.2917 114.2085 60.0915 71.6280 174.8002 36 A 3.8024 6.7305 125.5845 52.0465 20.1017 178.6782 37 S 3.9847 8.7270 119.6696 62.0295 62.9650 177.4936 38 R 3.8771 7.8567 119.6972 59.7542 29.8972 179.2168 39 T 3.7612 7.7061 114.6433 66.5113 68.4800 176.4809 40 A 3.9285 8.3914 122.9509 54.8271 18.2675 179.5488 41 A 3.8664 8.2036 119.2401 55.2010 18.4768 179.5303 42 A 3.8993 8.0840 119.3627 55.5758 18.4839 179.9022 43 I 3.6325 7.7875 118.1323 64.3191 37.1343 178.5139 44 L 3.8892 8.0046 121.1118 58.0597 41.5740 178.4751 45 N 4.1887 8.3101 117.0798 56.6053 38.7323 176.1074 46 L 3.9100 7.9781 120.5321 58.6040 42.1751 178.8283 47 A 4.1180 7.7937 118.5793 54.8514 18.3214 179.0164 48 Q 3.9891 7.7411 117.8793 58.3601 29.4424 177.0053 49 S 4.2253 6.9994 112.6745 58.6800 62.8552 173.6306 50 E 4.4077 8.6117 123.4175 56.8444 29.9580 176.3855 51 D 4.8857 8.1301 118.8333 52.7972 39.8112 177.0600 52 V 3.8085 7.6830 119.0124 62.4156 32.5023 175.7836 53 T 4.6142 8.0579 111.8710 59.9481 72.4713 175.4723 54 A 3.9888 8.2742 123.5233 55.2023 18.5151 179.6731 55 E 3.8158 8.1299 117.2188 59.4410 29.8487 178.8202 56 A 4.0151 8.0483 120.8574 54.7858 18.3151 179.4713 57 L 3.9017 7.8688 118.4031 58.1639 42.2148 178.9467 58 A 3.9493 8.2998 121.4017 54.9758 18.0680 179.3821 59 Q 3.8556 7.7442 115.1119 59.4735 28.8121 178.6325 60 L 4.0398 7.4036 121.9277 57.6981 42.1897 178.7730 61 I 3.7054 7.9859 120.2224 64.4090 36.9091 177.9268 62 Q 4.3432 8.0719 115.9955 57.8760 28.6014 177.2712 63 T 4.6035 7.7898 111.0534 61.1537 69.5946 173.5760 64 D 4.8541 7.9993 123.2877 51.8262 42.9454 174.3838 65 P 4.4856 0.0000 0.0000 65.8986 31.4372 178.1157 66 A 4.0462 8.2890 118.8390 55.3928 18.4052 179.3396 67 L 3.8695 8.7335 117.1063 58.2445 41.8494 180.0984 68 T 3.9071 7.9706 115.7133 66.5417 68.3746 176.9697 69 G 2.2933 8.0003 107.7535 47.2539 0.0000 176.0521 70 R 3.6954 7.5708 120.4196 58.8122 29.9859 179.2763 71 I 2.9357 7.2388 119.4732 64.1041 36.9951 178.4794 72 L 3.9178 7.4959 119.5208 57.7398 41.3591 179.5408 73 R 3.9719 7.7039 118.6148 59.4611 29.7990 178.2204 74 F 4.1575 8.1914 119.2859 61.4006 39.4487 176.5997 75 A 4.1236 8.2834 119.6462 54.4421 18.3177 178.5851 76 N 4.5232 8.4540 114.5788 55.2364 39.0398 177.4109 77 A 4.0393 8.1871 122.5033 54.8520 18.2791 177.8119 78 P 4.1206 0.0000 0.0000 65.5881 31.7959 178.0770 79 A 4.0410 7.5430 119.2200 54.3557 18.0129 179.1203 80 Q 3.5144 8.1295 112.0767 56.6966 26.9612 174.4344 81 G 4.0569 8.1351 105.3302 45.6149 0.0000 175.3865 82 T 4.0552 7.6360 113.0183 62.8072 67.2527 173.2574 83 R 4.3459 7.1319 114.9059 55.9825 32.3168 174.1577 84 R 3.9497 8.4926 119.1636 55.7643 30.5573 174.2120 85 P 4.6294 0.0000 0.0000 61.8901 32.6002 176.3606 86 V 3.7427 8.1113 113.5594 61.6660 32.3530 176.2819 87 A 4.1798 8.1542 123.5695 50.6500 20.4492 175.5828 88 S 5.0545 7.5575 113.7019 56.6426 67.3057 174.8435 89 V 3.5043 8.3459 122.8473 66.3305 31.5868 178.1035 90 I 3.6111 7.7340 117.8179 64.4036 37.2438 177.3692 91 D 4.3505 8.0551 118.9982 57.0737 40.4965 178.7074 92 A 3.9646 7.8173 121.0587 55.0582 18.3765 179.3394 93 I 3.6248 8.2516 118.8368 65.1075 37.0829 178.3047 94 D 4.3739 7.7890 116.7262 56.3635 40.6456 178.2865 95 L 4.1570 7.2570 119.8456 57.7736 42.4496 178.4645 96 V 4.0578 8.0090 109.7066 60.6883 32.4318 177.3361 97 G 4.0956 7.9463 105.6852 45.7846 0.0000 174.4833 98 L 3.9789 8.4009 122.1765 57.3359 41.9855 177.7502 99 P 4.2403 0.0000 0.0000 65.3010 31.1097 178.0784 100 A 3.9968 8.0529 118.0973 55.5417 18.4436 179.4796 101 V 3.8755 7.6920 116.5610 65.8515 31.5195 178.1599 102 R 3.9294 8.4592 118.5541 59.7348 30.1481 178.8823 103 Q 3.9208 7.8453 117.3291 58.9741 28.3652 179.0418 104 F 3.9917 7.7202 117.8950 60.1903 39.1310 177.2737 105 A 4.1540 7.8783 120.1632 55.1307 18.1442 179.4720 106 L 4.0782 7.9352 116.2991 56.7122 41.9611 178.6632 107 S 4.5921 7.4327 111.7687 57.9936 63.5913 175.5533 108 L 3.9394 7.8416 124.2150 58.2980 41.1440 179.2880 109 S 4.0903 7.9873 113.4398 61.8332 63.0283 175.5888 110 L 3.9681 7.8112 118.4331 57.8764 41.3930 177.7187 111 I 3.7433 7.3445 119.5971 61.6886 36.2444 175.7820 112 D 4.4559 8.5119 122.4879 55.7133 40.3659 177.1133 *116 E 4.1566 7.9111 117.8392 55.3122 30.7676 175.5309 117 G 3.9594 6.6246 103.5305 45.1926 0.0000 174.2197 118 R 3.9638 8.4951 119.2590 58.3691 30.6342 176.2859 119 C 4.2975 8.2837 117.6933 59.5188 30.7319 173.4073 120 E 4.0516 8.9345 127.3063 59.1977 29.2357 178.5878 121 A 4.2260 7.8881 119.4768 53.0081 19.1259 176.9654 122 F 4.1885 7.8350 118.8493 57.5679 39.7828 176.1141 123 D 4.5035 7.5938 128.0450 52.9457 38.9337 175.6884 124 Y 3.5256 8.1856 122.3488 60.3996 38.2314 177.7255 125 A 4.3683 8.1684 120.8740 55.1462 18.5760 179.3105 126 A 3.9140 8.5395 119.5646 55.4395 18.3346 179.1074 127 Y 3.9203 7.9448 118.2493 60.7270 38.7739 178.5756 128 W 4.2009 8.5106 120.1580 59.6915 29.0583 178.6153 129 Q 3.9701 8.6417 118.4337 58.9443 28.1821 178.5783 130 K 3.8114 8.3387 120.9570 59.6803 32.1976 178.8858 131 S 3.9156 7.8298 115.1676 61.3983 62.6581 176.4470 132 L 3.8273 7.8436 122.7093 58.1567 41.8022 178.8305 133 A 3.9693 8.1846 120.9129 55.1643 18.2237 179.6087 134 R 3.7466 8.2154 117.2221 59.2974 30.1105 178.7044 135 A 3.6691 7.7099 120.5596 54.8469 18.2843 179.6773 136 V 3.6923 7.9051 116.6862 66.1677 31.5683 177.7047 137 A 4.0047 8.1435 120.6369 55.5330 18.3183 179.4948 138 L 3.9164 8.1287 118.4110 58.0281 42.1986 179.0338 139 Q 4.0675 8.2624 119.8231 59.2929 28.8678 178.2232 140 S 4.1824 7.9599 114.7812 61.7804 62.6760 176.5127 141 I 3.8984 8.0784 122.7994 64.6004 36.7790 178.4212 142 T 4.1299 8.0474 109.4387 63.8220 68.6806 176.6028 143 A 4.1019 7.8804 123.1737 53.6673 19.5949 177.3638 144 Q 4.5954 8.3444 112.9550 53.2039 28.1411 176.0897 145 A 5.3398 7.6477 132.5602 54.1394 19.8213 177.0832 *148 V 3.6395 7.3050 114.6692 61.7806 32.4798 175.2590 149 A 4.0681 8.3441 127.4773 51.6626 19.0223 176.5494 150 P 4.4578 0.0000 0.0000 65.3731 31.4747 178.9619 151 K 4.0422 8.1288 116.4639 59.4433 31.9647 178.9241 152 E 5.0460 8.4627 119.3534 58.3365 29.6448 178.7073 153 A 4.3158 8.5129 121.3451 54.7168 18.3912 179.0909 154 F 4.2194 8.7830 119.9483 62.1137 38.9274 177.6340 155 T 4.0808 7.9749 113.4635 66.6623 68.1576 176.2420 156 L 3.9604 8.2543 120.9715 58.1578 42.5282 178.7742 157 G 3.7636 8.2747 105.6519 47.9069 0.0000 174.9629 158 L 3.9976 7.4655 121.9828 57.4720 42.3699 178.2946 159 L 4.5744 7.8216 115.9025 54.7436 41.7630 178.0603 160 A 4.2151 7.7316 121.4730 53.9000 18.4158 177.7396 161 D 4.8970 7.7596 116.4218 52.0727 40.5965 177.8630 162 V 4.0898 7.6866 124.3399 64.8254 31.1108 177.5808 163 G 3.6860 8.4003 106.9932 47.7860 0.0000 175.8951 164 R 3.7751 8.1110 120.3524 59.0671 30.2225 178.7402 165 L 3.0592 7.3750 119.3636 57.6865 42.0682 178.7499 166 A 3.8180 7.6329 120.5999 54.8835 18.2951 179.5723 167 L 3.3718 7.2740 117.1020 57.7679 41.3450 179.6878 168 A 4.1406 6.8854 118.9244 54.9370 18.1181 179.2863 169 T 4.0760 7.0102 112.6807 66.0379 69.0796 176.9308 170 A 3.7557 7.7978 121.7646 53.4315 19.7898 178.0243 171 W 5.1097 8.0255 117.6121 53.3295 29.9513 173.9846 172 P 4.4320 0.0000 0.0000 66.0647 31.2269 178.5858 173 E 4.0455 8.2746 118.5843 58.8608 29.4918 179.0711 174 E 4.0929 8.3893 118.1927 59.6866 29.6762 178.6755 175 Y 4.6653 8.6514 119.7096 60.7012 38.8049 177.7707 176 S 4.0682 8.5831 116.5533 61.7732 62.9417 176.1751 177 E 3.9430 8.1774 121.0165 59.9495 29.2115 179.4197 178 C 4.0744 8.0597 115.9909 63.0676 28.0824 176.2587 179 L 3.8129 7.9372 119.1628 57.9537 41.1975 179.6798 180 R 4.0569 8.2284 117.5573 59.1786 30.0049 177.9975 181 K 4.1800 7.7245 117.5247 56.7267 32.5310 178.4261 182 A 4.5322 8.0977 124.0474 51.4082 20.9023 175.7567 183 D 4.5374 8.5115 115.3993 53.7841 42.5768 177.5849 184 G 3.7481 8.2432 109.6701 46.9595 0.0000 176.4515 185 E 3.9436 8.8639 123.2183 58.8448 29.2752 178.0611 186 A 3.9917 7.9575 120.5967 54.8148 18.4352 178.9999 187 L 3.9073 7.7432 118.3487 58.5309 42.1390 178.9496 188 I 3.8349 7.7579 119.3576 64.6019 36.9971 178.3256 189 A 3.9676 7.8791 120.9307 55.0232 18.2020 179.4676 190 L 3.8654 8.6741 119.3266 58.1446 42.1529 179.0622 191 E 4.2009 9.0388 119.0943 59.6262 29.4847 179.3797 192 R 4.2778 8.1588 119.5368 58.7853 29.9122 178.7873 193 E 3.8491 8.1586 118.0424 58.9453 29.7022 178.2187 194 R 3.8088 7.6135 117.3695 57.2319 30.2825 176.5898 195 F 4.4107 8.0250 114.3148 55.7202 40.5724 174.9318 196 A 4.2521 7.9128 122.1498 52.6915 16.5338 176.6823 197 T 4.5537 7.3845 110.9842 62.9435 70.9013 171.0816 198 D 5.3002 8.0590 123.1524 51.0823 43.7665 176.0527 199 H 4.2333 8.8319 115.0604 58.4888 28.5793 177.5723 200 D 4.3007 7.8695 121.5439 57.2771 40.4783 178.0725 201 E 3.8982 8.4103 119.8840 58.9032 29.4144 178.2468 202 L 3.8783 7.8055 119.6234 58.6352 42.3250 178.5368 203 T 3.9733 7.9457 115.5558 66.8510 68.4256 177.5697 204 R 4.1925 7.4543 116.7589 56.4967 29.8335 178.7912 *206 L 3.5505 7.8599 119.7858 54.5807 43.5217 179.3306 207 L 3.8999 7.3711 118.2057 58.0516 42.1257 180.0099 208 T 3.9519 7.8819 115.4165 66.4585 68.6111 176.4458 209 D 4.3685 7.8962 119.3224 56.7869 41.2960 176.5615 210 W 4.8566 8.1957 116.9958 56.4480 29.1655 176.8322 211 G 3.9570 8.1892 106.3353 45.9126 0.0000 174.1909 212 F 3.7715 8.3564 118.3561 56.2090 39.6112 173.6942 213 P 4.2355 0.0000 0.0000 63.1409 31.5836 176.9644 214 Q 4.0517 8.9205 121.9474 59.5325 28.9037 178.8973 215 V 3.7796 7.9819 118.7544 66.0784 31.5684 177.9121 216 F 4.5015 8.8912 117.7909 60.7060 38.7761 177.7676 217 I 3.8538 7.9863 119.1085 64.1704 36.9157 178.1502 218 D 4.3044 8.3476 119.7556 57.2289 40.7351 178.3031 219 A 3.9759 8.0865 121.3029 55.2426 18.1312 179.3352 220 L 3.7384 7.7321 117.1737 58.3908 42.4132 178.6872 221 Q 4.0627 8.0430 119.3898 59.0419 28.7608 177.9119 222 L 3.9727 8.0248 119.6912 58.0528 42.0739 179.6376 223 S 4.2713 8.0571 113.5447 60.9408 62.5826 175.6118 224 Q 4.4373 7.4534 119.7793 54.3376 28.4697 175.6953 225 Q 4.5553 7.9719 115.6701 55.9912 30.7458 172.7695 226 D 4.1219 8.5174 124.3093 52.8628 38.6536 176.0449 *233 R 4.1892 8.1826 125.5373 56.2857 31.3888 175.3063 234 T 4.0975 8.5894 112.6584 66.8303 68.0472 176.6622 235 G 3.6200 7.9991 106.1910 47.8763 0.0000 175.2801 236 R 4.0938 8.0584 120.4343 59.0985 30.1608 178.5581 237 F 4.4120 8.1066 119.7364 61.5858 39.3012 176.9010 238 A 3.8415 8.1621 120.1732 55.1465 17.9945 179.5192 239 R 3.8972 8.0398 117.1663 59.3974 30.1717 178.6749 240 Q 4.0303 7.8580 117.4581 58.4361 28.7147 178.2522 241 L 3.7019 7.7144 121.5748 58.4854 42.1554 179.1587 242 T 3.7508 7.4930 115.3213 66.2855 68.2527 176.2980 243 L 3.8170 7.8424 122.0566 58.0648 42.1051 178.5182 244 A 3.9310 8.1669 121.0283 55.5967 18.1921 179.3512 245 Q 3.8367 8.3539 118.0225 59.6465 29.0219 178.3902 246 H 4.4901 7.9453 118.5531 58.1539 28.8077 177.5344 247 I 3.6549 8.3436 121.8010 64.4378 37.0129 178.0589 248 A 3.9319 8.1972 121.4597 55.4315 17.9174 179.0444 249 D 4.3625 8.2982 117.6149 58.3045 40.7414 179.2103 250 H 4.5439 7.9123 114.7509 58.5937 28.9214 177.7805 251 R 4.0958 8.5114 119.6228 58.0206 31.2268 178.2748 252 L 4.5090 7.4838 120.3039 51.6422 38.4683 174.0291 253 A 3.9853 7.6929 127.2889 52.6260 26.3000 177.2119 *261 L 4.0235 8.2981 126.8982 52.9184 42.5833 177.0734 262 S 4.2270 8.3910 117.8043 57.3610 62.5464 171.9224 263 P 4.1375 0.0000 0.0000 65.4247 30.6639 178.2574 264 L 3.9273 7.9470 119.0165 58.7949 42.5315 179.4927 265 L 3.6527 7.9281 118.1192 57.7271 41.5645 179.3309 266 R 3.9171 8.1937 118.7601 59.1855 29.9772 178.3822 267 A 4.0953 7.7845 120.1797 54.7358 18.1804 179.0084 268 E 3.8806 8.9401 117.8952 59.7154 29.6396 179.2263 269 A 4.0220 8.0026 120.4950 55.6420 18.2901 179.8938 270 R 4.0114 7.5672 115.3212 59.0330 30.0304 179.2151 271 R 3.9266 8.3335 117.6446 58.8998 30.0952 177.7118 272 C 4.5443 7.6444 113.3638 59.0277 28.5440 174.4639 273 G 3.9113 8.0350 109.0957 45.8431 0.0000 175.1472 274 L 3.9496 7.6083 119.6912 55.1248 41.7988 180.1887 275 G 3.8841 7.6774 107.0905 45.0946 0.0000 171.9180 276 D 5.0048 8.2319 118.1619 53.5023 42.4100 176.9326 277 E 4.4460 8.4635 117.5870 56.5874 29.4745 177.9218 278 D 4.4208 8.0695 121.6212 57.8321 40.6558 178.6144 279 L 3.9490 7.2490 118.2859 58.1483 42.2400 178.7872 280 A 4.1196 8.1360 120.5829 55.3459 18.3538 179.5167 281 R 3.9604 8.1399 116.1084 59.6970 29.9144 178.2949 282 L 4.4137 7.9126 115.3644 55.6386 41.7550 177.3000 283 L 4.7133 8.3240 117.4175 54.1894 43.1206 176.9163 284 A 4.5160 7.4273 121.8342 50.8508 18.7421 176.1240 285 D 4.7479 8.3669 120.2774 54.5437 41.1048 173.9916 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 L 8.04 3.91 0.00 1.66 1.57 0.99 0.40 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 30 C 8.64 3.65 0.00 3.18 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 31 D 8.08 4.56 0.00 2.68 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 32 S 8.40 4.37 0.00 3.88 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 33 L 8.41 4.11 0.00 1.74 1.76 1.17 1.03 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 34 P 0.00 4.80 0.00 2.43 2.15 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 35 T 8.29 4.75 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 36 A 6.73 3.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.73 3.98 0.00 3.93 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 38 R 7.86 3.88 0.00 1.80 1.94 0.00 3.12 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 39 T 7.71 3.76 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 1.08 0.00 0.00 40 A 8.39 3.93 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 41 A 8.20 3.87 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 42 A 8.08 3.90 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 43 I 7.79 3.63 1.84 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 1.37 0.67 0.89 0.00 0.00 44 L 8.00 3.89 0.00 1.95 1.64 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.31 4.19 0.00 2.80 2.98 0.00 0.00 6.88 7.12 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 46 L 7.98 3.91 0.00 1.88 1.70 0.90 0.98 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 A 7.79 4.12 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 48 Q 7.74 3.99 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 49 S 7.00 4.23 0.00 3.87 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 50 E 8.61 4.41 0.00 1.98 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 2.24 2.22 0.00 51 D 8.13 4.89 0.00 2.74 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 52 V 7.68 3.81 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 0.76 0.00 0.00 0.92 0.00 0.00 53 T 8.06 4.61 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 54 A 8.27 3.99 1.32 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 63 T 7.79 4.60 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 64 D 8.00 4.85 0.00 2.61 2.63 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 65 P 0.00 4.49 0.00 2.60 2.38 0.00 4.02 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 66 A 8.29 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.73 3.87 0.00 1.81 1.67 0.89 0.62 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 68 T 7.97 3.91 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 69 G 8.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.57 3.70 0.00 1.73 2.02 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 151 K 8.13 4.04 0.00 1.83 1.89 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 152 E 8.46 5.05 0.00 2.49 2.37 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 2.44 2.32 0.00 153 A 8.51 4.32 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 0.00 154 F 8.78 4.22 0.00 3.25 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 0.00 155 T 7.97 4.08 4.98 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 1.67 0.00 0.00 156 L 8.25 3.96 0.00 2.10 1.92 0.86 0.91 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 0.00 157 G 8.27 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.47 4.00 0.00 1.32 1.86 0.86 1.07 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 0.00 159 L 7.82 4.57 0.00 1.93 1.70 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.73 4.22 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 0.00 161 D 7.76 4.90 0.00 2.84 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 0.00 162 V 7.69 4.09 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 1.10 0.00 0.00 1.26 0.00 0.00 163 G 8.40 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 0.00 164 R 8.11 3.78 0.00 1.72 2.10 0.00 3.38 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 1.47 1.85 0.00 165 L 7.38 3.06 0.00 1.37 1.56 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.63 3.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 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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 0.00 176 S 8.58 4.07 0.00 4.21 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 0.00 177 E 8.18 3.94 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 178 C 8.06 4.07 0.00 3.18 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 0.00 179 L 7.94 3.81 0.00 1.53 1.60 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.23 4.06 0.00 1.88 1.98 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 181 K 7.72 4.18 0.00 1.67 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.67 7.81 182 A 8.10 4.53 1.24 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 0.00 183 D 8.51 4.54 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.36 2.09 0.00 226 D 8.52 4.12 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *233 R 8.18 4.19 0.00 1.96 1.96 0.00 3.26 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 234 T 8.59 4.10 4.28 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 1.28 0.00 0.00 235 G 8.00 3.62 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 0.00 0.00 0.00 236 R 8.06 4.09 0.00 2.12 2.05 0.00 3.22 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 237 F 8.11 4.41 0.00 2.89 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 A 8.16 3.84 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 0.00 239 R 8.04 3.90 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 240 Q 7.86 4.03 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 241 L 7.71 3.70 0.00 1.17 1.52 0.73 0.40 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 0.00 242 T 7.49 3.75 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 1.05 0.00 0.00 243 L 7.84 3.82 0.00 1.86 1.83 0.93 1.14 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 0.00 244 A 8.17 3.93 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 0.00 245 Q 8.35 3.84 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 246 H 7.95 4.49 0.00 3.37 3.21 0.00 5.72 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 0.00 247 I 8.34 3.65 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.94 0.00 0.00 248 A 8.20 3.93 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 0.00 249 D 8.30 4.36 0.00 2.82 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 0.00 250 H 7.91 4.54 0.00 3.21 3.33 0.00 5.68 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 0.00 251 R 8.51 4.10 0.00 1.74 2.01 0.00 3.40 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 252 L 7.48 4.51 0.00 1.62 1.63 0.93 0.57 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 0.00 253 A 7.69 3.99 1.22 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 0.00 0.00 *261 L 8.30 4.02 0.00 1.66 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 262 S 8.39 4.23 0.00 3.86 3.83 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 0.00 263 P 0.00 4.14 0.00 2.19 1.93 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 264 L 7.95 3.93 0.00 1.74 1.67 0.92 0.56 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 0.00 265 L 7.93 3.65 0.00 1.79 1.72 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 266 R 8.19 3.92 0.00 2.14 2.13 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 267 A 7.78 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 E 8.94 3.88 0.00 2.16 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 0.00 2.35 2.58 0.00 269 A 8.00 4.02 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 0.00 270 R 7.57 4.01 0.00 2.14 1.99 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 271 R 8.33 3.93 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 272 C 7.64 4.54 0.00 3.12 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 0.00 273 G 8.04 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 0.00 274 L 7.61 3.95 0.00 2.00 1.68 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 275 G 7.68 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 276 D 8.23 5.00 0.00 2.66 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 0.00 277 E 8.46 4.45 0.00 2.06 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 2.36 2.45 0.00 278 D 8.07 4.42 0.00 2.81 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 0.00 279 L 7.25 3.95 0.00 1.49 1.95 0.93 1.10 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 0.00 280 A 8.14 4.12 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 0.00 281 R 8.14 3.96 0.00 2.03 2.04 0.00 3.14 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 282 L 7.91 4.41 0.00 1.84 1.73 0.94 0.79 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 0.00 283 L 8.32 4.71 0.00 1.65 1.65 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 284 A 7.43 4.52 1.20 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 0.00 0.00 0.00 0.00 0.00 285 D 8.37 4.75 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.