NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0413 8.2548 109.1366 45.1935 0.0000 172.1352 *2 K 4.4991 8.2659 118.2393 56.5774 33.7868 175.0553 3 I 5.0577 9.2151 126.7549 59.5164 39.6950 174.6417 4 A 5.4367 9.2209 129.6709 50.3769 21.6517 175.0525 5 L 5.2923 9.1673 123.7616 53.4258 44.7654 175.2679 6 I 5.2168 8.7781 126.1401 59.6845 40.9668 174.3340 7 I 4.8706 8.7625 128.0135 59.4128 40.4301 175.6319 8 E 4.4534 8.7764 124.8450 54.6633 31.3800 176.9114 9 N 4.3921 8.8159 116.7515 55.7823 37.3581 177.6441 10 S 4.1712 8.6759 113.3371 60.5089 63.2632 174.9044 11 Q 4.5553 8.1694 117.9177 55.2878 29.8974 176.8205 12 A 3.8814 8.0146 124.4445 55.3801 18.3514 180.6892 13 A 4.0417 7.9935 116.5253 54.5221 18.7148 178.0792 14 K 4.3235 7.9831 114.4417 56.5552 32.9506 178.1165 15 N 4.1648 8.4173 119.0395 56.5285 38.7322 176.4268 16 A 4.0310 7.9438 121.6343 55.2616 18.5749 179.6003 17 V 3.6036 7.7537 116.2519 66.1691 31.6745 178.2928 18 V 3.6963 7.7885 118.0121 66.2102 31.3148 177.4236 19 H 4.2247 8.7759 118.4881 59.2912 29.6774 176.9018 20 E 3.8569 8.4120 120.9125 59.1482 29.3597 178.5928 21 A 4.1153 8.1336 120.9509 55.0645 18.4272 179.4348 22 L 3.6780 8.2567 119.1374 58.4888 42.2184 179.3671 23 T 3.9015 8.0793 109.9029 65.0137 68.4312 176.6623 24 T 3.8695 7.7257 117.8897 66.0981 68.5019 176.0723 25 V 4.0118 7.6784 119.4304 65.2057 32.0065 177.8950 26 A 4.1621 8.4268 120.9287 54.8303 18.2474 179.4570 27 E 4.0167 8.1673 117.1781 59.2192 29.4367 177.7386 28 P 4.3345 0.0000 0.0000 64.4299 31.5550 176.9674 29 L 4.2425 7.0527 116.6343 54.8299 42.0014 177.4559 30 G 3.8829 8.4062 108.2211 45.1799 0.0000 172.9483 31 H 4.7798 7.5435 116.4001 54.4366 31.0190 174.4884 32 K 4.5121 8.4613 118.3084 54.6243 34.9961 175.3892 33 V 4.8078 8.1106 124.2117 61.0866 33.6795 174.4773 34 F 4.5661 9.3603 127.0580 55.7713 41.3650 174.4354 35 N 4.9269 8.7735 124.2154 52.7147 38.4998 173.7673 36 Y 4.3467 9.0426 123.2156 57.6204 38.7206 176.9066 37 G 2.7728 8.1791 108.9016 44.8478 0.0000 174.3009 *39 Y 4.8569 8.1821 115.1977 57.7946 39.7609 175.5060 40 T 4.6704 8.0049 107.4118 60.0831 71.9719 174.0508 41 A 4.3136 8.5207 123.1176 53.3255 18.6749 177.8715 42 E 4.5019 7.6673 114.5668 55.6371 30.2976 176.2295 43 D 4.5151 7.6020 119.3157 54.8364 41.4590 177.2245 44 K 4.0842 8.7574 122.5022 59.3608 32.4678 177.9649 45 A 4.3181 7.6343 122.4131 51.1726 16.9044 175.2901 46 S 4.4864 7.8978 115.3090 57.3673 63.8999 172.9596 47 L 4.9255 8.5015 125.9192 53.2201 44.6138 175.4197 48 T 4.9572 8.1240 111.5384 59.6223 71.2194 174.0305 49 Y 4.2521 8.4024 119.6295 59.8625 38.3228 178.0545 50 V 3.7981 6.6686 118.4374 63.4175 31.3873 177.2971 *52 N 4.6726 8.3839 117.5998 52.7955 40.5953 177.1950 53 G 3.5706 7.8807 104.9212 47.5117 0.0000 175.6382 54 L 3.8951 7.7098 122.3386 57.7772 42.0595 178.8020 55 L 3.8093 7.8071 119.5787 58.0522 42.0173 178.4035 56 A 4.0130 8.1166 120.8548 55.1381 18.2424 179.8683 57 G 3.4698 7.9588 103.9826 47.9507 0.0000 175.9123 58 I 3.7186 7.7383 122.6810 63.9970 37.2418 178.5697 59 L 4.0526 8.1063 119.9362 57.9394 41.5239 179.7201 60 L 4.2060 8.0799 119.0065 57.9052 41.3804 179.3028 61 N 4.4686 8.2125 115.5976 55.6314 38.7876 176.9946 62 S 4.5009 8.2505 115.2411 58.6728 63.3787 175.9664 63 G 3.8345 7.5530 108.9320 45.2321 0.0000 174.2588 64 A 3.9951 7.8634 121.7792 53.4392 18.5558 178.0188 65 A 4.6797 7.5593 116.6415 50.7881 22.2550 175.4686 66 D 4.8611 9.0035 119.8602 55.3624 42.4292 176.8469 67 F 5.0154 7.9675 119.2363 56.8704 43.1145 172.8768 68 V 5.0054 8.1967 124.7250 61.0823 34.8594 174.1769 69 V 4.9226 9.3101 127.5898 61.8848 34.0421 174.1320 70 T 5.2704 9.2030 123.3007 61.6367 71.1835 171.9195 71 G 4.3440 8.6848 107.0298 45.8908 0.0000 171.4898 *73 G 3.9941 8.1142 106.9104 45.3394 0.0000 174.7705 74 T 4.1954 7.9779 107.3861 60.5653 69.5380 174.3559 75 G 3.5796 7.7553 110.4751 45.9366 0.0000 174.9146 *77 G 3.0981 7.9639 108.7662 45.3337 0.0000 176.2565 78 S 4.7256 7.0926 112.6668 58.6562 61.7330 176.3658 *80 L 4.2125 8.1266 122.1535 54.8905 43.5278 179.3354 81 A 4.0259 8.3654 121.1980 55.1125 18.6766 179.5259 82 A 3.9291 8.4098 118.3070 55.5579 18.3835 178.6001 83 N 4.4173 7.3864 106.7804 54.7030 38.6433 175.1870 84 A 4.2368 7.2779 121.6363 51.7518 18.7059 175.7093 *86 P 3.9291 0.0000 0.0000 65.0816 32.4203 176.9933 87 G 3.9707 8.6192 107.5766 45.9961 0.0000 172.9315 88 V 4.2027 6.7053 118.7291 60.6200 33.1672 175.1670 89 F 4.8326 9.4662 126.3339 55.9222 41.1071 172.9161 90 C 5.1188 9.1875 124.4810 57.4623 33.0216 173.5131 91 G 3.5583 8.5783 113.7112 44.9854 0.0000 172.1378 92 L 4.9977 8.1482 123.2400 53.2651 43.2322 175.5929 93 V 4.2498 8.1005 126.3624 61.5868 33.1988 174.2048 94 I 4.1989 8.8623 127.4423 62.5421 39.0130 175.7628 95 D 5.0173 8.2859 118.5606 50.5741 43.3784 175.0282 96 P 4.3029 0.0000 0.0000 65.7436 31.0906 179.1961 97 T 3.9963 7.9620 114.5465 66.5361 68.3939 176.3394 98 D 4.3679 9.0975 121.0812 57.2284 40.8161 178.8062 99 A 4.0298 7.9209 121.1695 55.0528 18.5332 179.3643 100 F 4.1106 8.3458 119.1589 61.6071 39.5216 177.3670 101 L 3.7390 8.2827 118.8334 57.4495 41.2862 179.1755 102 F 4.5580 7.9933 122.3311 60.9060 39.3509 177.5830 103 G 3.4117 8.2456 105.0555 47.3536 0.0000 175.2109 104 Q 4.1951 7.6135 119.3162 57.1935 28.9310 177.7652 105 I 3.9099 7.9504 119.8124 63.0840 38.0881 177.0236 106 N 4.4460 7.7861 115.6439 52.2434 39.7710 174.4712 107 D 4.0444 7.8030 118.8469 54.8580 40.1668 172.8600 108 G 3.9786 6.5139 106.5779 45.4173 0.0000 172.8278 109 N 5.0045 8.9308 113.4738 52.1178 38.7613 173.7844 110 A 4.5430 7.5225 119.8156 50.9204 22.9053 175.5798 111 I 4.8570 8.8787 112.7335 59.2038 41.6762 174.2047 112 S 5.6773 9.3226 118.0925 54.7473 66.4499 170.5523 *114 P 4.1749 0.0000 0.0000 62.8339 31.7040 175.9182 115 Y 4.0934 8.3931 119.0940 58.0569 38.7775 175.4339 116 S 4.4816 8.0503 113.2290 59.5654 65.6344 173.4313 117 K 3.9379 8.0579 123.9156 58.0868 31.8628 177.3043 118 G 3.9136 8.9161 114.2370 45.7617 0.0000 173.3297 119 F 4.5427 8.3035 123.3859 56.2845 39.0809 176.1543 120 G 4.2569 7.6366 120.8677 43.8020 0.0000 170.6310 121 W 4.4794 8.9657 123.5265 58.5632 29.5229 175.7123 122 A 3.6869 8.9879 122.8029 52.8578 16.2126 178.8756 123 A 3.7488 7.5516 120.7328 55.3340 17.9099 180.2204 124 E 4.0583 7.8649 115.5956 59.2206 29.7384 179.2362 125 L 3.9856 7.9492 120.7165 57.5184 41.6288 178.6547 126 N 4.2350 7.9926 116.5884 56.4839 38.9189 176.4135 127 L 3.6487 7.7246 120.3648 58.0657 41.8028 179.7108 128 Q 4.0448 7.6471 117.4585 59.0936 28.4481 178.4534 129 D 4.3447 7.8182 118.6762 57.4350 41.1217 178.8719 130 V 3.6607 7.8097 118.9626 66.2377 31.4614 177.7914 131 Y 4.2102 7.6767 116.4208 61.0461 37.4388 178.7001 132 R 4.0339 7.8833 118.4546 58.9460 30.2036 178.6950 133 K 4.2461 7.8279 117.4048 58.4766 32.2260 178.6499 134 L 4.1898 7.4876 117.9538 55.7962 42.0059 177.3141 135 F 5.0761 7.8831 114.4948 56.9136 39.4506 174.5254 136 D 4.6719 8.1544 120.1320 53.6830 43.4419 175.3907 137 G 4.0245 9.0100 111.7559 44.6826 0.0000 172.2990 138 E 4.2005 8.3399 118.2225 56.0223 30.1048 177.2262 139 R 4.3777 8.3845 121.6832 55.3559 32.1773 175.9999 140 G 3.8953 8.5829 105.8634 46.7515 0.0000 174.9652 141 L 4.0810 8.1064 118.8411 54.4512 42.0247 177.3535 142 G 4.1460 9.2158 107.0593 45.8820 0.0000 172.7718 143 Y 4.5677 7.8945 118.7382 55.7115 41.9626 172.7563 144 P 3.3007 0.0000 0.0000 62.3950 32.3713 177.9962 145 R 3.9936 8.5010 122.0174 60.2101 29.2607 179.6427 146 E 4.1136 8.0246 111.7729 58.0301 30.1505 180.4984 147 R 4.5037 8.3306 115.0079 56.3310 30.8116 177.6744 148 A 4.0459 7.9398 122.8453 55.4596 18.7344 179.4624 149 E 4.1590 8.1585 114.7635 59.4762 29.9590 179.9459 150 I 3.7212 7.2401 118.0378 61.4343 36.0527 178.0181 *152 R 4.1290 8.1354 122.6500 56.2689 31.8986 177.2771 153 K 3.9527 7.9989 118.2963 59.6660 32.0792 178.6576 154 N 4.4053 8.4177 116.8083 56.1685 38.3836 177.6852 155 R 3.9033 7.9370 119.4274 58.7550 30.1502 179.1645 156 G 3.4901 7.7002 104.9005 47.7985 0.0000 175.8687 157 I 3.8752 7.6615 122.7230 64.0097 37.0322 178.2874 158 L 3.9819 8.0913 121.2368 58.2397 41.8135 179.2508 159 R 4.0516 7.8748 118.0597 59.3299 30.0820 178.9396 160 E 3.9864 8.3024 118.5107 59.0081 29.2939 179.0601 161 L 3.9422 8.0087 120.4975 58.2388 42.1743 179.1190 162 K 4.2633 8.3933 121.0502 59.0126 31.8648 178.4732 163 D 4.3441 8.1957 118.6804 57.1387 40.7412 178.1823 164 A 4.1761 7.7173 120.5467 54.5368 18.5666 179.2293 165 S 4.3048 7.8765 112.5478 59.6630 63.8254 174.1521 166 C 4.6487 7.6511 119.3530 57.8052 29.3571 173.8949 167 R 4.3141 8.2544 122.8407 55.5648 31.6818 179.1045 168 D 4.7344 8.0518 118.7726 52.8730 39.0655 178.4294 *170 L 4.1251 8.6691 116.0666 55.1645 43.8499 178.5528 171 T 3.7692 7.8301 115.1498 66.6003 68.3008 176.6685 172 V 3.5140 7.7196 119.9903 66.0677 31.3217 178.0097 173 L 3.9489 7.6128 116.8999 57.7929 41.5403 179.2285 174 K 3.9145 7.6508 117.5901 58.3956 32.1056 178.4884 175 T 4.3770 7.3872 108.0229 60.9361 69.7296 175.4188 176 V 3.8120 6.9034 121.4756 60.6458 32.7235 175.9026 177 D 4.3009 8.5842 119.6935 55.2723 41.8485 177.4139 178 Q 4.1536 8.7161 125.8794 58.4671 28.9220 178.1322 179 D 4.3476 8.1589 120.2371 56.9348 40.9800 178.1024 180 L 3.8859 8.5759 121.3966 57.9730 41.9634 178.8212 181 L 3.8703 7.7305 119.7907 58.2919 41.8442 179.1354 182 R 3.7992 7.7424 116.4966 59.2225 30.1904 178.6629 183 A 4.0659 8.1162 120.2830 54.7912 18.1382 179.5445 184 A 3.9735 7.8484 119.0616 54.0859 18.4160 178.3015 185 I 3.5862 6.9898 108.9110 60.4267 37.6460 176.7221 186 A 4.2854 7.5073 122.2873 52.9877 18.6810 178.8707 187 G 3.9466 7.6340 105.6611 45.3186 0.0000 174.9652 188 E 4.0496 9.0956 120.8585 58.5917 29.9606 177.9002 189 K 4.4388 8.0979 116.2637 56.0143 33.1575 177.4626 190 F 4.1859 8.2741 122.0063 61.5314 39.1050 176.4830 191 A 4.4055 8.5466 119.5623 55.7538 17.9644 179.1325 192 E 3.9816 8.2929 115.5047 58.9684 29.7865 178.1274 193 L 4.3376 7.3626 117.5685 57.0954 42.4666 178.2460 194 F 3.9843 8.3264 121.2665 60.7054 38.9590 176.6682 195 Y 4.0790 7.6971 115.6573 60.8255 38.0484 177.2951 196 P 4.2350 0.0000 0.0000 64.0709 31.7545 176.3776 197 N 4.6991 8.1800 114.9096 52.8078 40.1914 174.1652 198 C 3.7931 6.8494 119.3360 59.1776 31.7583 173.2437 199 K 4.1679 8.8227 126.1120 56.6996 32.9062 176.4539 200 D 4.7260 7.6949 118.4682 52.6612 41.8093 175.9392 201 D 4.4630 8.6137 128.2545 57.1842 41.0197 178.5291 202 A 4.0776 8.1299 121.0461 55.1668 18.4638 179.6366 203 I 3.7978 8.1998 118.1388 64.5278 37.2671 178.4707 204 A 4.5635 8.2635 121.6934 55.4984 18.2990 179.4862 205 N 4.3765 8.7540 115.3830 56.6330 38.4204 177.0544 206 Y 4.0156 7.8765 119.6117 60.7118 39.0749 177.7901 207 L 4.1222 8.3429 119.9916 57.8601 41.7577 179.6608 208 R 4.0895 8.4055 118.0588 58.6453 29.7815 178.7463 209 S 4.2285 7.5633 112.8337 60.3163 63.1329 175.7254 210 L 4.0624 7.2826 121.6885 56.4916 41.5736 176.3839 211 D 4.5085 7.6653 123.3069 54.6212 40.7438 176.0803 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 0 G 8.25 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 8.27 4.50 0.00 1.76 1.80 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.57 7.81 3 I 9.22 5.06 1.73 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.62 0.82 0.00 0.00 4 A 9.22 5.44 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.17 5.29 0.00 1.84 1.62 1.01 1.00 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 6 I 8.78 5.22 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.96 0.00 0.00 7 I 8.76 4.87 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.88 0.00 0.00 8 E 8.78 4.45 0.00 2.39 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 2.53 2.60 0.00 9 N 8.82 4.39 0.00 2.98 3.20 0.00 0.00 7.17 7.57 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 10 S 8.68 4.17 0.00 4.01 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 0.00 11 Q 8.17 4.56 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 12 A 8.01 3.88 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 13 A 7.99 4.04 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 14 K 7.98 4.32 0.00 1.79 1.60 0.00 1.36 0.00 0.00 1.29 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.29 7.81 15 N 8.42 4.16 0.00 2.65 2.89 0.00 0.00 7.01 7.83 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 16 A 7.94 4.03 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 17 V 7.75 3.60 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 1.20 0.00 0.00 1.01 0.00 0.00 18 V 7.79 3.70 1.94 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 0.95 0.00 0.00 0.51 0.00 0.00 19 H 8.78 4.22 0.00 3.31 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.41 3.86 0.00 2.21 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 2.32 2.32 0.00 21 A 8.13 4.12 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.26 3.68 0.00 1.83 1.79 0.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.08 3.90 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 1.07 0.00 0.00 24 T 7.73 3.87 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 1.28 0.00 0.00 25 V 7.68 4.01 2.34 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 1.23 0.00 0.00 1.22 0.00 0.00 26 A 8.43 4.16 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 27 E 8.17 4.02 0.00 2.18 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 2.26 2.35 0.00 28 P 0.00 4.33 0.00 2.05 2.11 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 29 L 7.05 4.24 0.00 1.89 1.69 1.09 1.01 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 30 G 8.41 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 31 H 7.54 4.78 0.00 3.03 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.46 4.51 0.00 1.81 1.43 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.33 7.81 33 V 8.11 4.81 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 0.84 0.00 0.00 0.81 0.00 0.00 34 F 9.36 4.57 0.00 3.16 2.80 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 0.00 0.00 0.00 82 A 8.41 3.93 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 83 N 7.39 4.42 0.00 2.74 2.84 0.00 0.00 7.08 7.23 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 84 A 7.28 4.24 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 *86 P 0.00 3.93 0.00 2.21 2.27 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.17 0.00 87 G 8.62 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 88 V 6.71 4.20 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 0.76 0.00 0.00 0.83 0.00 0.00 89 F 9.47 4.83 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 9.19 5.12 0.00 2.94 2.78 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 0.00 117 K 8.06 3.94 0.00 1.72 1.76 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.41 7.81 118 G 8.92 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 0.00 119 F 8.30 4.54 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.64 4.26 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 0.00 0.00 0.00 121 W 8.97 4.48 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.99 3.69 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 0.00 123 A 7.55 3.75 0.31 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 0.00 124 E 7.86 4.06 0.00 2.24 2.28 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 2.35 2.36 0.00 125 L 7.95 3.99 0.00 1.89 1.71 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.99 4.23 0.00 2.77 2.89 0.00 0.00 7.19 6.66 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 0.00 127 L 7.72 3.65 0.00 1.94 1.53 1.26 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.65 4.04 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 129 D 7.82 4.34 0.00 2.79 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 0.00 130 V 7.81 3.66 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 0.97 0.00 0.00 0.94 0.00 0.00 131 Y 7.68 4.21 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.88 4.03 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 133 K 7.83 4.25 0.00 1.90 2.01 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.88 7.81 134 L 7.49 4.19 0.00 0.45 0.56 0.73 0.97 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 0.00 135 F 7.88 5.08 0.00 3.13 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 0.00 136 D 8.15 4.67 0.00 2.65 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 0.00 137 G 9.01 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 0.00 138 E 8.34 4.20 0.00 2.00 1.91 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 2.34 2.36 0.00 139 R 8.38 4.38 0.00 1.80 2.05 0.00 3.62 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 140 G 8.58 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 0.00 141 L 8.11 4.08 0.00 1.93 1.74 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.22 4.15 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 0.00 0.00 0.00 143 Y 7.89 4.57 0.00 3.00 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 0.00 144 P 0.00 3.30 0.00 2.00 1.49 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 145 R 8.50 3.99 0.00 1.73 1.97 0.00 3.25 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 146 E 8.02 4.11 0.00 1.98 1.90 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 2.23 1.90 0.00 147 R 8.33 4.50 0.00 1.89 1.93 0.00 3.11 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 148 A 7.94 4.05 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 0.00 149 E 8.16 4.16 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 2.39 1.90 0.00 150 I 7.24 3.72 2.00 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 1.17 0.60 0.90 0.00 0.00 *152 R 8.14 4.13 0.00 1.83 1.93 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 153 K 8.00 3.95 0.00 1.87 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 154 N 8.42 4.41 0.00 2.79 2.82 0.00 0.00 7.06 7.93 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 0.00 155 R 7.94 3.90 0.00 1.73 1.77 0.00 3.07 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 156 G 7.70 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.66 3.88 1.98 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 1.40 0.73 0.91 0.00 0.00 158 L 8.09 3.98 0.00 1.76 1.79 1.03 0.97 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 0.00 159 R 7.87 4.05 0.00 2.04 1.99 0.00 3.16 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.57 0.00 160 E 8.30 3.99 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 161 L 8.01 3.94 0.00 1.88 1.90 0.94 0.24 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 0.00 162 K 8.39 4.26 0.00 2.02 1.98 0.00 1.64 0.00 0.00 1.26 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.33 7.81 163 D 8.20 4.34 0.00 2.86 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 0.00 164 A 7.72 4.18 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 0.00 165 S 7.88 4.30 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.65 4.65 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.25 4.31 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.05 4.73 0.00 2.80 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 0.00 0.00 0.00 0.00 *170 L 8.67 4.13 0.00 1.74 1.90 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.83 3.77 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 1.16 0.00 0.00 172 V 7.72 3.51 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 0.98 0.00 0.00 0.99 0.00 0.00 173 L 7.61 3.95 0.00 1.58 1.63 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.65 3.91 0.00 1.68 1.72 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.68 0.91 7.81 175 T 7.39 4.38 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 176 V 6.90 3.81 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 0.73 0.00 0.00 0.89 0.00 0.00 177 D 8.58 4.30 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.15 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 179 D 8.16 4.35 0.00 2.85 2.67 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 0.00 0.00 0.00 0.00 180 L 8.58 3.89 0.00 1.67 1.84 0.84 0.32 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 0.00 181 L 7.73 3.87 0.00 1.81 1.78 0.84 0.92 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 0.00 182 R 7.74 3.80 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 183 A 8.12 4.07 1.26 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 0.00 0.00 184 A 7.85 3.97 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 0.00 185 I 6.99 3.59 0.56 0.00 0.00 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 1.08 0.53 0.15 0.00 0.00 186 A 7.51 4.29 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 0.00 187 G 7.63 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 9.10 4.05 0.00 2.14 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 0.00 2.45 2.36 0.00 189 K 8.10 4.44 0.00 1.92 1.85 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.14 7.81 190 F 8.27 4.19 0.00 3.34 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 0.00 191 A 8.55 4.41 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 0.00 0.00 0.00 0.00 0.00 192 E 8.29 3.98 0.00 2.02 2.21 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 2.30 2.42 0.00 193 L 7.36 4.34 0.00 1.46 1.39 0.16 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.33 3.98 0.00 1.91 1.90 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 0.00 195 Y 7.70 4.08 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.24 0.00 2.03 2.11 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 197 N 8.18 4.70 0.00 2.44 2.53 0.00 0.00 6.48 7.97 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 0.00 198 C 6.85 3.79 0.00 1.42 2.38 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 0.00 199 K 8.82 4.17 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 200 D 7.69 4.73 0.00 2.72 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 0.00 201 D 8.61 4.46 0.00 2.76 2.75 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 0.00 202 A 8.13 4.08 1.40 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 0.00 0.00 203 I 8.20 3.80 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 1.08 0.00 0.00 204 A 8.26 4.56 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 N 8.75 4.38 0.00 2.97 2.95 0.00 0.00 6.66 7.19 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 0.00 206 Y 7.88 4.02 0.00 3.06 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 0.00 207 L 8.34 4.12 0.00 2.16 1.83 0.60 0.82 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 0.00 208 R 8.41 4.09 0.00 1.98 1.91 0.00 3.04 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.60 0.00 209 S 7.56 4.23 0.00 3.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 7.28 4.06 0.00 1.58 1.65 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 211 D 7.67 4.51 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.