NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 V 4.0081 8.0549 120.3782 62.9730 32.5068 174.2081 22 H 4.9474 8.5113 124.7043 53.8563 31.0162 172.5711 23 R 5.0399 9.0448 121.7562 54.2016 34.9333 174.0928 24 L 5.1776 9.0096 124.7867 53.6989 44.8618 174.7395 25 H 4.9654 9.3730 125.2118 55.0589 30.2598 174.8479 26 V 4.4855 8.6100 122.7561 60.9338 32.5698 176.8137 27 G 3.7171 7.7175 114.4270 45.2982 0.0000 169.8706 28 D 4.7933 8.1791 120.1045 53.1751 42.3880 177.0393 29 A 3.7761 8.6433 129.3133 55.5977 18.4065 178.7625 30 R 3.7332 7.9431 115.6103 59.9941 29.8382 178.4785 31 E 3.9244 7.9549 116.0206 59.1158 29.6738 179.3244 32 V 3.4301 7.9299 118.6406 65.9819 31.6429 178.2153 33 L 3.7421 8.1043 118.7604 57.4909 41.1655 179.3094 34 A 4.8966 7.7164 121.0145 54.0301 18.3397 178.9543 35 S 4.2452 7.5025 111.2299 58.8000 63.8745 174.5494 36 F 5.0081 6.8911 121.7986 55.8207 39.8494 173.8178 37 P 4.4644 0.0000 0.0000 62.1622 31.9420 175.9655 38 E 3.9620 8.8225 120.9141 57.1326 30.5222 176.2598 39 A 3.8531 8.0576 123.4005 52.7041 16.3124 177.1661 40 S 4.7151 7.7323 112.4361 57.5743 65.0848 175.6330 41 V 4.3253 8.2335 121.4114 61.9300 33.6480 175.5676 42 H 4.6849 9.0363 123.8867 57.1721 30.6821 174.9442 43 L 4.9844 7.7669 118.2226 53.2995 46.1440 175.3233 44 V 5.4000 8.5745 124.0452 60.2227 34.3758 174.1061 45 V 4.7509 8.3430 127.9476 61.5132 33.5920 174.2773 46 T 4.8874 8.6330 120.8911 61.6448 71.7252 171.5845 47 S 5.4348 8.8653 118.4540 55.5383 65.0248 171.8882 48 P 3.9499 0.0000 0.0000 61.5708 31.8071 174.4328 49 P 4.3733 0.0000 0.0000 62.5886 31.7581 175.4732 50 Y 4.1342 8.5799 121.0230 57.7363 39.1655 175.1068 51 W 4.0656 7.6281 135.0000 55.6231 31.9224 175.3488 52 T 3.6257 7.5185 122.8554 61.9374 67.6750 174.4827 53 L 3.0893 7.0512 128.7021 54.0069 42.8561 176.6001 *62 Q 4.3408 8.2981 117.3506 55.6344 30.2256 175.4519 63 L 4.9031 7.7119 116.1234 53.5259 44.3309 178.2628 64 G 3.7799 8.2578 106.6677 47.5197 0.0000 175.6661 65 H 4.4303 8.4981 117.5165 58.9550 28.8991 177.7312 66 I 4.0642 7.5274 115.7834 62.9790 37.3426 177.5677 67 E 3.9926 8.2959 121.8000 59.3735 29.5143 178.4072 68 D 4.4763 8.4385 119.0947 57.1792 40.6103 178.0983 69 Y 2.8882 8.1447 120.2234 60.5560 38.8046 178.1476 70 E 3.5675 8.2667 118.7216 58.6070 29.5621 179.2652 71 A 4.0647 7.5030 121.6616 54.9420 18.4645 179.3915 72 F 4.2400 7.8022 119.1535 61.3072 39.2872 177.2926 73 L 3.4697 7.3244 118.5343 57.8092 41.1404 179.2072 74 D 4.2102 7.6852 117.4850 57.3493 40.8701 178.5526 75 E 3.9682 7.6996 118.5972 59.1983 29.3823 179.2906 76 L 3.2167 7.2459 118.9028 57.6581 41.5279 179.0716 77 D 4.4195 7.8541 118.8135 57.7065 40.5225 179.4065 78 R 3.8793 7.4542 118.0899 59.2009 29.9989 179.3121 79 V 3.5372 7.1932 117.5384 65.5523 31.6049 177.9834 80 W 4.8129 8.1044 119.2291 60.0271 28.8028 178.3759 81 R 4.1188 8.6733 119.1099 59.6264 29.4890 178.4753 82 E 4.0625 8.1298 118.4089 59.2784 29.3053 179.3026 83 V 3.7645 8.2074 118.4976 66.1265 31.3914 177.7598 84 F 3.8618 8.9440 119.6706 61.1591 39.4493 176.9033 85 R 4.1420 7.9739 118.6955 59.2871 29.9816 177.4634 86 L 4.5030 7.9720 116.8677 56.1352 41.9881 175.9966 87 L 4.7293 7.6203 123.3364 54.7648 43.5402 176.6287 88 V 4.0984 8.6847 119.0548 60.0675 33.4016 174.1111 89 P 4.3497 0.0000 0.0000 64.1797 31.6093 177.9938 90 G 4.0647 9.2402 111.6464 45.1589 0.0000 173.8458 91 G 3.9503 8.0911 107.7490 46.2158 0.0000 172.6828 92 R 5.1118 8.3813 118.4916 54.1928 33.8741 173.5282 93 L 4.6558 9.2933 128.8070 53.3665 43.7018 175.5256 94 V 4.3254 9.0770 127.5617 61.2004 33.8608 174.1448 95 I 4.9605 8.2777 129.5857 59.4407 39.6103 175.0627 96 V 4.6583 8.8883 128.5037 60.3564 32.3554 175.7268 97 V 4.7125 9.4491 125.6935 60.8809 35.3377 174.0750 98 G 4.7079 8.8062 112.9677 44.2836 0.0000 172.6902 99 D 4.7879 8.9878 124.1704 54.1059 42.5014 175.7947 100 V 4.0413 8.6105 122.3456 63.0814 32.2651 174.4097 101 A 5.1412 8.6476 130.0503 50.5724 20.8418 176.7178 102 V 4.2799 8.7408 121.4746 61.9614 34.0287 173.1217 103 A 4.8749 8.5952 128.8940 50.6573 21.5603 174.4568 104 R 4.2516 8.3524 117.2763 57.2239 34.1191 175.3151 *109 R 4.0658 7.6268 115.5987 56.5194 31.5087 173.3248 110 H 4.7176 8.7506 126.2092 55.6070 31.4262 173.9218 111 L 4.1326 7.5385 122.0282 54.1070 46.0608 173.1607 112 V 4.7713 8.1203 125.2420 61.0258 33.6530 174.5925 113 F 4.2717 9.4216 127.8822 55.2021 39.9956 175.3840 114 P 4.9415 0.0000 0.0000 61.1420 28.0925 176.6811 115 L 4.2430 8.2873 125.0275 58.8192 42.4571 177.5655 116 H 4.0833 9.2749 114.7858 58.5509 28.2963 177.4467 117 A 3.6174 7.2005 122.9037 54.8521 18.2743 179.2034 118 D 4.2758 8.1487 117.4321 57.5248 40.8868 179.1096 119 I 3.7463 7.9137 120.4468 64.2321 36.8308 178.4072 120 Q 3.8260 7.6581 117.9859 58.9469 28.9058 178.8745 121 V 3.6997 7.6056 118.9485 66.2412 31.7774 178.3582 122 R 4.0018 8.0929 117.5194 59.2918 29.8800 178.8049 123 C 4.4302 8.0907 116.6725 62.2515 27.9673 175.9785 124 R 4.0753 7.8443 120.7803 59.4071 29.5073 178.4910 125 K 3.8551 8.0312 117.8820 59.1630 32.2988 177.1048 126 L 3.9893 7.2429 115.7491 55.0154 41.7472 177.5448 127 G 3.7014 7.9201 107.1460 44.6072 0.0000 174.2190 128 F 4.7834 7.7048 117.9636 57.7044 40.0162 174.5392 129 D 4.8859 9.6182 122.9067 53.1870 42.4860 175.3146 130 N 4.8681 8.7698 122.2930 52.9664 39.9022 174.0203 131 L 4.8294 8.1263 124.2606 52.3084 45.2060 175.9476 132 N 4.4115 8.4511 118.1717 52.8734 38.9469 173.6627 133 P 4.6123 0.0000 0.0000 62.6031 33.0513 175.1908 134 I 4.2985 7.9198 121.2493 59.7908 39.6197 174.8830 135 I 4.2607 8.7588 127.8472 59.7660 38.9000 174.7263 136 W 5.1392 8.8006 135.0000 56.5823 31.4379 174.7385 137 H 4.7760 9.3422 129.8055 55.2749 27.8338 175.2188 138 K 3.3696 7.8891 122.9298 57.7173 31.9159 177.0760 139 H 4.7709 7.3603 115.0914 55.1679 28.5970 173.8244 *156 P 3.9066 0.0000 0.0000 64.0850 31.9243 176.4815 157 Y 4.8201 8.1683 108.9008 57.3690 37.3484 174.6950 158 E 4.7796 7.4550 120.3976 53.3830 32.8656 174.4817 159 P 4.2837 0.0000 0.0000 64.6359 31.8122 176.8496 160 G 3.9531 9.0184 108.9378 44.8521 0.0000 173.8212 161 A 4.0915 6.9673 122.4743 52.4342 18.9288 177.0363 162 I 4.1405 8.0075 120.9852 60.2799 38.2845 175.7628 163 I 4.1596 8.1012 126.1257 59.7315 37.8696 175.7785 164 K 4.1199 8.4467 126.9790 56.1057 32.7907 176.5373 165 T 4.0509 8.3938 122.1419 64.2143 69.0750 173.8548 166 E 4.8783 8.7249 122.3694 55.4615 32.3924 174.8526 167 I 5.0224 7.6275 111.4315 58.9747 41.2935 174.2892 168 E 4.8351 8.6324 120.6929 54.9072 34.1578 174.3235 169 Y 4.7317 9.7578 120.8831 56.7911 40.6204 175.2372 170 I 4.5846 8.5628 125.5029 59.8344 38.0407 175.9809 171 L 4.3507 8.8576 129.3167 54.0202 44.1833 175.0949 *173 Q 4.3953 8.4936 117.3629 56.5769 30.1999 174.4137 174 R 4.8812 9.1481 124.9837 54.5006 32.9723 174.5965 175 K 4.5440 8.8711 127.8475 54.8636 33.5399 174.8633 176 P 4.6780 0.0000 0.0000 61.4605 32.9922 175.1588 177 G 4.1076 9.3268 106.4850 45.3314 0.0000 174.3737 178 G 3.9534 7.8934 108.4911 44.3687 0.0000 172.5274 179 Y 5.6878 7.7771 125.5671 56.1009 39.2781 173.4383 180 R 4.0039 8.7834 118.5308 56.5026 30.0002 176.1330 181 K 4.5400 8.3160 119.5581 53.8714 33.4518 174.5880 182 P 4.3939 0.0000 0.0000 62.2969 32.1149 176.9776 183 T 4.1027 8.7894 111.5416 61.5280 70.8138 175.6391 184 Q 3.9355 8.5609 120.7890 59.1520 28.6471 179.0491 185 E 3.9236 8.0563 119.7723 59.2718 29.6072 178.4433 186 Q 4.0540 7.7657 116.8473 59.3131 29.0050 179.0452 187 R 4.2953 8.1043 118.8670 59.3586 29.8622 179.0971 188 E 4.0445 8.3053 118.3054 59.3514 29.3826 178.9383 189 K 4.4176 8.5905 115.1284 57.3570 32.3279 177.5937 190 S 4.7878 7.5548 114.5009 58.0125 64.3669 174.8409 191 R 4.0624 7.6178 120.0551 56.4492 30.3430 175.8484 192 L 4.7132 8.1676 121.2073 52.3100 43.7213 175.4708 193 P 4.3334 0.0000 0.0000 62.2402 33.2310 177.1673 194 K 3.7846 8.6993 122.5488 60.1525 32.1304 178.7397 195 E 3.9851 8.1416 117.8049 59.5860 29.4232 179.0422 196 D 3.6409 7.7851 118.3314 56.8343 40.7698 178.2023 197 F 3.9723 8.1968 121.4216 61.8799 39.1623 177.0088 198 H 4.3601 8.1123 113.8905 58.2271 28.5246 177.6201 199 R 4.0855 7.3958 120.0205 59.2684 30.0470 178.2446 200 F 4.3978 8.0979 116.5769 60.0865 40.3633 177.0014 201 F 4.4889 7.9934 118.6993 55.8810 36.9843 174.8325 202 R 4.8176 7.5475 117.8474 54.3155 32.9667 176.0123 203 Q 4.0628 8.6889 119.6269 58.0303 30.3733 175.2050 204 I 4.8741 7.7992 119.1326 59.1372 39.9954 174.9036 205 W 5.1738 9.4165 127.8868 55.0203 30.8349 176.1546 206 D 5.0149 9.0764 122.7961 52.9867 39.6980 175.6036 207 D 4.7900 8.3235 116.9568 53.3184 39.6254 176.4024 208 I 4.4149 7.5948 121.2184 58.7613 37.7789 173.1674 209 P 4.2839 0.0000 0.0000 65.0272 30.2660 176.0052 *219 P 4.3834 0.0000 0.0000 60.3583 33.3775 175.5102 220 F 5.0624 6.8421 114.1658 52.7998 40.7677 173.0998 221 P 4.5104 0.0000 0.0000 62.3250 33.1097 177.4288 222 L 4.0030 8.4908 121.5283 58.4591 42.0711 178.8298 223 E 3.7989 8.2063 118.6842 59.2841 29.3477 178.4146 224 L 3.5395 7.6847 119.3889 58.0589 42.1711 178.7277 225 A 3.7860 7.6991 120.4245 54.8848 18.1938 179.5229 226 E 3.7291 8.3280 117.5787 59.4097 29.2887 179.5435 227 R 2.8650 7.0779 116.7957 58.9845 30.0446 178.7758 228 L 4.0268 7.0557 116.8545 57.5822 41.6606 179.4350 229 V 3.7321 7.5704 118.0511 65.9743 31.2493 179.8142 230 R 4.2440 7.2296 114.6369 56.1704 29.8406 177.0411 *232 F 4.7301 7.9760 115.3663 56.6518 40.3763 174.8129 233 S 4.5316 7.1066 112.2560 57.7952 65.9070 173.5809 234 F 4.8750 8.9426 119.6219 55.0852 41.5855 175.8598 235 V 4.0049 8.1278 116.2259 63.3523 31.7386 176.8216 236 G 4.0763 9.4364 113.1487 45.4477 0.0000 173.7117 237 D 4.5245 8.0645 119.1761 54.3183 42.6029 175.5600 238 V 4.5307 8.6706 120.3483 61.8863 33.3480 174.5323 239 V 4.7974 9.1207 128.8660 61.1919 33.6679 173.8543 240 L 5.8469 8.9360 130.4527 52.8913 44.9593 174.8865 241 D 4.8971 8.5134 123.7310 51.8799 42.8935 173.7866 242 P 4.1745 0.0000 0.0000 64.6354 32.0602 176.8867 243 F 5.0863 8.2311 116.2210 56.4668 39.6805 176.1379 244 A 4.0889 8.5202 126.9280 54.1389 19.7832 179.2160 245 G 3.9715 7.4256 103.5345 47.5121 0.0000 174.3025 246 T 4.3175 8.4848 114.9622 61.2749 68.8037 175.0555 247 G 3.7834 8.4495 109.7302 47.6737 0.0000 176.7312 248 T 3.9043 8.0000 115.9643 65.1744 67.3773 175.1257 249 T 4.1322 8.0438 117.3912 66.4610 68.6000 176.6554 250 L 4.1659 8.0262 120.6297 57.8717 41.7062 179.3956 251 I 3.5151 8.1551 119.6306 64.1566 36.7927 178.3344 252 A 4.0746 7.8424 120.1827 55.2747 18.5151 179.1703 253 A 4.1008 8.2014 119.0714 55.3462 18.3941 179.4195 254 A 4.1801 8.2289 119.8505 54.6824 18.2113 179.8309 255 R 3.7472 8.1301 115.8843 57.8995 29.4530 176.9639 256 W 4.4331 8.4421 119.6735 56.3058 29.9213 176.3709 257 G 3.7573 7.9185 104.3996 46.6568 0.0000 174.3067 258 R 4.8873 7.2706 114.9974 54.2521 33.6908 175.2104 259 R 4.5611 9.2527 120.1599 55.1371 32.0005 175.7661 260 A 5.0008 8.8496 125.6895 50.9651 21.0026 175.7307 261 L 5.1044 8.9975 123.7962 53.5336 45.6133 175.4585 262 G 4.7543 9.4926 112.8176 44.6733 0.0000 171.2047 263 V 5.0701 8.3987 118.4116 61.4178 35.2078 173.1297 264 E 4.9835 9.2118 128.3973 54.4410 32.2874 176.2272 265 L 4.5000 8.9891 128.2061 57.0958 42.7633 176.6736 266 V 4.0491 7.9508 120.6319 60.7356 31.2958 174.2339 267 P 4.3039 0.0000 0.0000 66.0925 30.6127 178.2355 268 R 3.8198 7.6925 118.0420 59.5448 30.0950 177.8975 269 Y 4.4143 7.7043 116.4231 60.9494 37.8449 177.9784 270 A 4.1245 8.1786 121.3894 55.3176 18.5840 179.3188 271 Q 3.9361 8.0838 117.6509 59.3875 29.0834 178.4492 272 L 4.0820 8.0462 119.8651 57.5741 41.6333 179.3744 273 A 4.2769 8.5208 122.5052 54.6737 18.4577 179.3949 274 K 3.9276 8.2368 118.1519 59.8496 31.7330 178.8326 275 E 4.0052 8.0944 118.2304 59.5141 29.5070 179.2969 276 R 3.9534 8.3947 119.0591 59.0766 30.0688 178.0014 277 F 3.8895 8.8834 120.8505 61.5251 39.1610 176.7417 278 A 4.1674 7.9895 118.6323 55.5276 18.1316 179.6890 279 R 4.0489 7.4495 114.8043 59.6001 30.4379 178.8482 280 E 4.1203 8.4975 117.2471 57.7206 30.9983 177.7502 281 V 4.1753 7.9254 119.5186 59.4533 30.8239 171.9269 282 P 4.4424 0.0000 0.0000 64.1664 31.6837 177.1171 283 G 3.7575 9.1682 111.0460 44.8514 0.0000 172.5641 284 F 5.0729 7.8464 116.6650 55.6185 42.2756 174.2960 285 S 4.9236 8.5423 114.5232 56.8732 65.6196 173.0105 286 L 3.7076 8.1186 124.7090 54.0174 43.0098 175.2747 287 E 4.2317 8.8621 128.2593 55.2116 30.7537 175.3878 288 V 4.4401 8.2867 128.6747 62.0642 31.5104 175.4037 289 L 4.4410 8.1200 129.9489 54.1354 44.6174 177.1592 290 D 4.2016 8.2633 118.8203 55.4495 41.2537 175.5733 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 21 V 8.05 4.01 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 0.98 0.00 0.00 0.94 0.00 0.00 22 H 8.51 4.95 0.00 3.04 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.04 5.04 0.00 1.77 1.81 0.00 3.06 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 24 L 9.01 5.18 0.00 1.69 1.50 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 H 9.37 4.97 0.00 3.20 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.61 4.49 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 0.78 0.00 0.00 0.99 0.00 0.00 27 G 7.72 3.72 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 0.00 0.00 0.00 28 D 8.18 4.79 0.00 2.79 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 29 A 8.64 3.78 1.01 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 0.00 0.00 30 R 7.94 3.73 0.00 1.85 2.15 0.00 3.18 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 31 E 7.95 3.92 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 32 V 7.93 3.43 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 0.70 0.00 0.00 0.91 0.00 0.00 33 L 8.10 3.74 0.00 1.63 1.74 0.95 1.04 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 34 A 7.72 4.90 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 35 S 7.50 4.25 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 6.89 5.01 0.00 3.21 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 37 P 0.00 4.46 0.00 2.20 2.09 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 38 E 8.82 3.96 0.00 1.97 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 2.28 2.53 0.00 39 A 8.06 3.85 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 40 S 7.73 4.72 0.00 3.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.23 4.33 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 1.08 0.00 0.00 0.89 0.00 0.00 42 H 9.04 4.68 0.00 3.32 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.77 4.98 0.00 1.73 1.48 0.96 0.82 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 44 V 8.57 5.40 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 0.84 0.00 0.00 1.01 0.00 0.00 45 V 8.34 4.75 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 0.66 0.00 0.00 0.90 0.00 0.00 46 T 8.63 4.89 4.51 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 1.61 0.00 0.00 47 S 8.87 5.43 0.00 4.36 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 48 P 0.00 3.95 0.00 2.30 2.19 0.00 4.17 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 2.16 2.14 0.00 49 P 0.00 4.37 0.00 2.27 2.07 0.00 2.86 0.00 0.00 2.03 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 75 E 7.70 3.97 0.00 1.96 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 2.27 2.52 0.00 76 L 7.25 3.22 0.00 1.33 0.73 0.37 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.85 4.42 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 78 R 7.45 3.88 0.00 1.94 1.89 0.00 3.04 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 79 V 7.19 3.54 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 0.87 0.00 0.00 0.77 0.00 0.00 80 W 8.10 4.81 0.00 3.55 3.23 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 81 R 8.67 4.12 0.00 1.96 2.19 0.00 3.07 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 82 E 8.13 4.06 0.00 2.19 2.03 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 0.00 137 H 9.34 4.78 0.00 3.15 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.89 3.37 0.00 0.79 0.97 0.00 1.30 0.00 0.00 1.15 0.00 0.00 2.42 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 0.22 7.81 139 H 7.36 4.77 0.00 3.09 2.60 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 P 0.00 3.91 0.00 2.11 1.95 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.04 0.00 157 Y 8.17 4.82 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 7.46 4.78 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 159 P 0.00 4.28 0.00 2.04 2.03 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 160 G 9.02 3.95 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 2.33 2.19 0.00 169 Y 9.76 4.73 0.00 2.85 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 0.00 170 I 8.56 4.58 1.66 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.62 0.00 0.00 171 L 8.86 4.35 0.00 1.46 1.43 0.86 1.08 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 *173 Q 8.49 4.40 0.00 1.22 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.88 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 174 R 9.15 4.88 0.00 1.78 1.78 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 175 K 8.87 4.54 0.00 1.52 1.48 0.00 1.07 0.00 0.00 1.59 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.21 7.81 176 P 0.00 4.68 0.00 2.16 2.38 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 177 G 9.33 4.11 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 0.00 0.00 0.00 178 G 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 187 R 8.10 4.30 0.00 2.01 2.04 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 188 E 8.31 4.04 0.00 2.28 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 2.35 2.37 0.00 189 K 8.59 4.42 0.00 1.84 1.94 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 190 S 7.55 4.79 0.00 4.12 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 0.00 191 R 7.62 4.06 0.00 1.97 1.89 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 192 L 8.17 4.71 0.00 1.78 1.58 1.18 1.04 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 0.00 193 P 0.00 4.33 0.00 2.10 1.96 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 194 K 8.70 3.78 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.82 0.00 0.00 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0.00 0.00 1.92 1.95 0.00 203 Q 8.69 4.06 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 204 I 7.80 4.87 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 1.01 0.00 0.00 205 W 9.42 5.17 0.00 3.27 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 0.00 206 D 9.08 5.01 0.00 2.76 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 0.00 207 D 8.32 4.79 0.00 2.79 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 0.00 208 I 7.59 4.41 2.13 0.00 0.00 0.42 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 0.58 0.97 0.00 0.00 209 P 0.00 4.28 0.00 2.24 2.26 0.00 3.88 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 2.10 2.04 0.00 *219 P 0.00 4.38 0.00 1.51 1.91 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 220 F 6.84 5.06 0.00 2.69 2.97 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 0.00 221 P 0.00 4.51 0.00 2.19 2.09 0.00 3.41 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 222 L 8.49 4.00 0.00 1.74 1.69 0.93 0.88 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 0.00 223 E 8.21 3.80 0.00 2.02 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 2.12 2.20 0.00 224 L 7.68 3.54 0.00 1.37 1.60 0.49 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 225 A 7.70 3.79 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 0.00 226 E 8.33 3.73 0.00 1.97 1.73 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 2.46 2.65 0.00 227 R 7.08 2.86 0.00 1.19 0.96 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 228 L 7.06 4.03 0.00 1.58 1.71 0.66 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0.00 0.00 0.00 0.00 0.00 246 T 8.48 4.32 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 247 G 8.45 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 T 8.00 3.90 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 0.96 0.00 0.00 249 T 8.04 4.13 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 1.38 0.00 0.00 250 L 8.03 4.17 0.00 2.06 1.94 1.00 1.02 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 0.00 251 I 8.16 3.52 2.04 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 1.31 0.94 0.79 0.00 0.00 252 A 7.84 4.07 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 0.00 0.00 253 A 8.20 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 A 8.23 4.18 1.16 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 0.00 255 R 8.13 3.75 0.00 1.76 2.23 0.00 3.53 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.36 0.00 256 W 8.44 4.43 0.00 3.39 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 0.00 257 G 7.92 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 0.00 258 R 7.27 4.89 0.00 1.97 1.98 0.00 3.32 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 259 R 9.25 4.56 0.00 1.74 1.84 0.00 3.12 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 260 A 8.85 5.00 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 0.00 261 L 9.00 5.10 0.00 1.67 1.43 0.84 0.14 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 0.00 262 G 9.49 4.75 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 0.00 263 V 8.40 5.07 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 0.84 0.00 0.00 1.00 0.00 0.00 264 E 9.21 4.98 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 265 L 8.99 4.50 0.00 1.75 1.82 1.01 1.11 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 0.00 266 V 7.95 4.05 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 0.47 0.00 0.00 1.07 0.00 0.00 267 P 0.00 4.30 0.00 2.28 2.32 0.00 3.72 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 2.03 2.03 0.00 268 R 7.69 3.82 0.00 1.71 1.48 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 269 Y 7.70 4.41 0.00 3.38 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 0.00 270 A 8.18 4.12 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 0.00 271 Q 8.08 3.94 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 272 L 8.05 4.08 0.00 2.08 1.80 1.12 0.96 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 0.00 273 A 8.52 4.28 1.49 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 0.00 274 K 8.24 3.93 0.00 1.85 2.06 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 275 E 8.09 4.01 0.00 2.32 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 2.37 2.70 0.00 276 R 8.39 3.95 0.00 1.92 2.00 0.00 3.28 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 277 F 8.88 3.89 0.00 3.36 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 0.00 278 A 7.99 4.17 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 0.00 279 R 7.45 4.05 0.00 1.97 2.00 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 280 E 8.50 4.12 0.00 1.99 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 2.32 0.00 281 V 7.93 4.18 1.54 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 0.80 0.00 0.00 -0.16 0.00 0.00 282 P 0.00 4.44 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 283 G 9.17 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 0.00 284 F 7.85 5.07 0.00 3.23 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 285 S 8.54 4.92 0.00 3.98 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 0.00 286 L 8.12 3.71 0.00 0.64 1.29 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 287 E 8.86 4.23 0.00 2.05 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 2.23 2.23 0.00 288 V 8.29 4.44 2.07 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 0.85 0.00 0.00 0.92 0.00 0.00 289 L 8.12 4.44 0.00 1.47 1.49 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 290 D 8.26 4.20 0.00 2.57 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 * Residues marked with a * may have inaccurate shift predictions.