NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.6481 8.1449 118.3433 57.9744 39.0180 174.8341 3 Q 3.8970 8.4598 124.4927 56.4770 30.3128 170.4240 4 V 4.5043 8.0550 120.1460 60.7659 34.8003 174.0374 5 V 4.7206 8.5626 128.2495 61.1659 33.4544 173.9212 6 A 5.2568 9.2297 130.3985 50.2847 21.6811 175.1536 7 S 5.2059 8.9849 116.4147 56.4505 66.2674 173.1540 8 D 5.3740 9.2549 126.5778 54.5298 42.1562 175.0589 9 L 4.4676 8.6235 119.6291 56.3340 43.1193 176.1731 10 D 4.4662 7.7053 116.5558 55.7682 41.3390 177.8969 11 G 4.1553 8.8690 111.3992 46.5705 0.0000 173.0565 12 T 4.3906 6.9288 113.1486 64.2901 71.5991 175.8874 13 L 4.0787 7.0523 128.7818 57.9910 43.1864 178.0150 14 L 4.3270 7.8903 118.0775 54.0036 42.3194 176.9155 15 S 4.3945 8.8056 117.2770 57.3435 63.6191 173.5919 16 P 4.3313 0.0000 0.0000 65.1744 31.0447 177.1163 17 D 4.5630 7.9195 116.4062 53.9569 40.7131 175.7996 18 H 3.9352 8.0449 114.8314 56.8931 26.6886 174.6510 19 F 5.0344 7.5955 116.4988 55.5346 41.5226 174.8625 20 L 4.6826 8.3614 125.3837 53.8265 41.9915 177.2253 21 T 4.1441 8.2384 117.3708 61.0563 70.8219 173.2362 22 P 4.2012 0.0000 0.0000 65.9357 31.3203 178.3987 23 Y 3.9113 8.0493 117.7876 60.5574 38.7918 177.8311 24 A 4.0881 8.0748 121.7357 55.0184 18.6478 179.6076 25 K 3.7344 8.2764 117.4352 59.7324 32.0522 179.1812 26 E 3.8823 8.3396 119.5991 59.3592 29.4978 178.9963 27 T 3.7078 7.5188 115.9229 66.5025 68.4988 176.6004 28 L 3.4466 7.7104 120.8702 57.4588 41.5323 179.8247 29 K 3.9527 7.8178 118.0695 59.4363 31.5254 179.4612 30 L 4.0001 8.1017 119.5134 57.8038 41.5408 179.5729 31 L 3.8555 8.1166 118.8696 57.7526 41.6325 179.5418 32 T 4.1595 8.1929 115.7184 66.6375 68.1982 176.5140 33 A 4.1646 8.0977 121.3683 54.2451 18.3293 178.7924 34 R 4.5207 7.2052 114.7875 55.7662 30.5520 177.3139 35 G 3.9768 7.9795 106.6247 45.3238 0.0000 174.1086 36 I 3.9189 7.5268 120.5465 60.9900 37.9573 175.2693 37 N 4.9662 8.8627 124.0123 51.9695 40.4215 173.9998 38 F 4.9977 8.6978 120.3221 55.5544 42.7530 174.3596 39 V 4.6057 8.5324 122.4994 61.1560 34.3799 173.8939 40 F 5.4415 8.5818 126.3485 55.8011 40.9187 175.1340 41 A 4.9928 9.0806 125.1843 50.5002 21.6016 174.8436 42 T 4.9122 9.1865 116.9781 60.4461 71.1481 174.9305 43 G 3.7757 8.7338 112.7854 47.2206 0.0000 174.5148 44 R 4.0813 7.8619 119.6063 56.2498 30.8787 175.7636 45 H 4.4235 8.3009 119.3450 55.7281 30.9502 175.5490 46 Y 4.0216 8.3016 124.9951 61.0901 38.0547 178.7641 47 I 3.4671 7.6785 120.0239 63.9899 36.9654 176.8811 48 D 4.3679 7.1254 116.1271 54.9132 41.3011 176.7078 49 V 4.1571 7.0660 111.3519 61.6732 32.6522 177.5182 50 G 3.4396 7.5244 108.9457 48.1389 0.0000 176.0652 51 Q 3.9179 7.7456 120.4746 58.4265 29.4019 177.8504 52 I 3.7488 7.4951 120.7404 64.3365 36.7905 178.4367 53 R 3.8486 8.0689 117.2160 59.3300 28.9604 178.3710 54 D 4.4141 7.9798 118.1843 55.9200 40.8858 177.1131 55 N 4.7984 7.5330 114.7361 52.8069 39.6040 176.1404 56 L 3.9366 7.2219 120.6007 56.5369 41.8794 178.5451 57 G 3.9452 8.4524 104.5002 45.0356 0.0000 172.5966 58 I 4.6604 7.0182 111.0423 58.7227 40.7651 174.7798 59 R 4.3653 8.4461 120.7796 55.5470 30.7520 176.1762 60 S 4.7225 8.1483 116.0628 57.3795 66.5341 174.6670 61 Y 4.4652 7.9309 118.6464 57.7288 40.8177 173.8808 *63 I 4.4309 8.2466 120.8031 62.4647 39.0034 175.1714 64 T 4.9791 8.4127 116.4830 59.1322 73.0241 173.6054 65 S 3.7599 9.4840 113.8046 58.8088 61.3417 172.5156 66 N 4.5001 9.3261 111.3927 54.4838 36.4680 176.5163 67 G 4.1857 8.2899 105.6981 45.2244 0.0000 175.3023 68 A 4.3181 7.9513 122.3718 54.1789 18.9708 177.4608 69 R 5.1711 7.7116 113.6158 53.2301 34.8585 174.6277 70 V 4.4802 7.3824 120.5439 61.3491 34.8119 173.7157 71 H 5.3136 8.7267 123.8563 53.9090 32.2036 173.5215 72 D 4.4288 8.6472 121.8428 51.9594 40.8483 177.2677 73 S 4.1974 8.1518 112.8383 60.7404 62.8199 174.5223 74 D 4.5829 8.2488 119.4051 53.9462 40.8720 177.0697 75 G 4.3686 8.2943 107.5668 45.4546 0.0000 173.6547 76 Q 4.0601 8.2776 120.1113 54.8216 29.2281 175.1353 77 Q 3.9484 8.3608 124.5630 55.7419 29.0668 175.4696 78 I 4.0959 8.5208 128.3343 64.0197 37.5091 176.5329 79 F 5.0607 7.4042 114.4325 55.4144 41.6462 173.4705 80 A 4.9052 8.6483 120.6105 51.0429 21.1702 175.6999 81 H 4.8150 9.6323 120.7356 55.4382 29.1315 174.9218 82 N 5.0443 8.4672 120.5537 51.4367 40.5931 175.0912 83 L 4.1525 8.4867 120.8416 54.5320 42.4757 177.5299 84 D 4.3491 8.5181 122.0330 54.3620 41.7596 177.3339 85 R 3.9382 8.8411 123.6335 59.8612 29.9688 178.5471 86 D 4.2932 7.9491 118.1162 56.4871 39.3021 178.5227 87 I 3.2941 7.4192 120.4335 63.7556 37.1675 177.9034 88 A 3.5252 7.8325 121.6141 54.9609 17.9068 179.4070 89 A 3.4498 7.3562 117.8787 55.3428 18.6822 179.3678 90 D 4.5448 7.8542 116.7974 57.5559 40.7701 178.9705 91 L 4.3540 8.0481 118.8439 57.9277 41.6470 179.3204 92 F 4.7992 8.1496 117.0160 59.8406 39.1331 175.6990 93 E 4.8184 8.4954 114.9455 55.4035 31.4194 177.2576 94 I 3.8204 8.3411 119.0909 63.6347 38.3437 176.2476 95 V 4.5712 7.5388 112.9697 60.5426 32.6519 177.6593 96 R 3.8875 8.0745 121.6628 59.4894 30.0930 176.6314 97 N 4.6356 8.0370 111.7775 53.0002 38.9821 174.3170 98 D 4.6617 7.8518 120.1169 52.0523 40.5583 175.3020 99 P 4.3905 0.0000 0.0000 65.0773 31.4924 177.8591 100 K 4.1570 8.1039 117.9289 57.9050 32.3469 176.7858 101 I 4.8152 7.4866 118.8590 59.3775 39.4936 175.3047 102 V 4.4278 8.7660 126.5688 61.5621 33.6298 174.4071 103 T 4.5645 9.1204 125.5214 62.5810 69.4736 173.9807 104 N 5.1280 8.5567 124.1562 51.2655 42.0337 173.8980 105 V 4.7682 9.0063 121.5867 61.5143 35.5325 173.8372 106 Y 5.6603 9.1962 125.9352 57.0414 39.3597 174.7349 107 R 4.7430 9.2633 126.7802 54.1766 31.8890 177.0182 108 E 4.0693 9.1416 129.2175 58.2236 29.3663 175.4591 109 D 5.0086 9.1819 125.8095 55.1079 41.0419 175.1273 110 E 4.8745 8.7469 119.7755 54.2271 33.2625 174.6761 111 W 5.6110 8.3442 131.5904 56.3317 33.5097 174.1377 112 Y 5.6472 9.7269 125.7771 55.4518 40.5152 175.8074 *114 N 3.8722 8.7235 115.7058 52.8919 39.0655 174.3513 115 R 4.3153 7.1431 111.4753 54.7481 31.7982 174.0363 116 H 3.9364 8.4552 116.2200 56.1918 30.0685 173.9744 117 R 3.7119 8.4926 123.3908 58.0652 28.9677 177.3715 *123 F 5.1877 9.1877 124.9553 58.7311 41.9311 176.3462 124 F 4.3068 8.1861 114.0529 58.9057 37.9426 175.6391 125 K 4.4310 7.1559 119.8323 55.8579 32.1635 175.6614 126 E 4.0893 7.4581 116.9986 55.4412 30.0866 176.2881 127 A 4.0241 8.0156 123.7709 51.8239 19.0206 177.9939 128 V 3.6268 8.1708 121.0734 62.7858 31.1761 175.9747 129 F 4.8698 8.5562 129.6655 56.6505 40.2554 173.2550 130 N 4.9316 8.3693 124.4141 51.3406 41.0913 173.9188 131 Y 4.1759 6.7952 117.3494 55.5673 40.1560 174.9242 132 K 4.5571 8.1438 119.7275 54.6131 35.3240 175.7305 133 L 4.8257 8.4400 122.6675 54.2015 43.1099 175.8967 134 Y 5.0362 7.9904 118.3628 55.3923 41.0756 174.7523 135 E 4.4046 8.8624 122.3385 53.9050 31.3302 173.8742 136 P 4.9040 0.0000 0.0000 64.0275 31.5542 177.1298 137 G 4.0512 9.2468 111.8797 45.4729 0.0000 173.3669 138 E 4.3602 8.1864 116.4862 55.9270 29.9505 175.5452 139 L 4.2418 7.3962 121.4380 52.8629 43.8726 175.2113 140 D 4.4685 8.3884 126.2046 53.8465 41.5885 173.5501 141 P 4.8044 0.0000 0.0000 62.9732 31.4653 175.4597 142 Q 4.5671 7.9335 117.3529 55.9313 30.7955 175.6743 143 G 3.8012 8.7790 108.1108 46.2675 0.0000 172.9944 144 I 4.7270 7.6399 121.6238 60.0415 37.1158 176.7115 145 S 4.4751 8.9755 124.2025 61.1250 63.7505 174.7202 146 K 4.7114 7.8756 116.3181 55.8635 35.5744 174.3914 147 V 4.9329 8.4638 121.8093 61.0527 34.4143 174.2961 148 F 5.2613 8.6741 122.2007 55.0668 41.4613 173.4714 149 F 5.3143 9.6202 121.5891 56.2071 40.8193 174.6000 150 T 5.2457 8.7425 115.1583 60.4165 71.0685 173.5576 151 C 4.9776 8.9861 124.4687 58.4741 34.9328 174.6338 152 E 3.8784 9.2163 126.2571 59.0617 29.4263 176.3918 153 D 4.6343 7.9347 118.7603 53.0311 40.6955 175.7404 154 H 4.3638 8.9615 126.8719 59.5624 29.8205 176.5553 155 E 3.9612 8.3603 119.5903 59.6507 29.0226 178.6623 156 H 4.2093 8.0087 117.3327 58.8115 30.2094 176.8674 157 L 4.2155 8.0251 120.9151 56.9690 41.6595 178.9588 158 L 4.1759 7.5407 118.9348 57.7294 41.6657 177.9450 159 P 4.3095 0.0000 0.0000 65.1343 31.0314 178.4766 160 L 3.8641 7.7171 118.4867 57.7066 42.0913 178.0441 161 E 4.0200 7.9787 118.6313 59.3474 29.9282 178.5480 162 Q 4.1916 7.9712 117.3533 58.8247 28.7484 179.4259 163 A 3.8444 7.7958 118.3101 52.9332 18.0820 178.8083 *165 N 4.6464 8.1523 119.7120 54.8151 40.6058 177.0171 166 A 3.9718 7.9393 119.8382 54.9836 18.7335 178.8051 167 R 3.7342 7.9852 115.6516 58.3303 30.3499 177.2206 168 W 4.8893 7.9819 115.4918 55.2635 32.8256 176.8651 169 G 3.8149 8.0988 107.0630 46.2598 0.0000 177.0374 170 D 4.4610 8.8875 124.1651 57.1092 40.6244 178.4038 171 R 4.1212 7.8854 116.6465 57.9607 30.2663 176.6348 172 V 4.5623 7.5218 109.5241 59.3230 35.8515 174.9531 173 N 4.8332 8.6752 121.0602 52.1020 40.9775 173.0519 174 V 4.5602 8.3779 126.9289 61.7478 32.9419 175.2319 175 S 4.8371 9.2169 123.6141 56.8438 67.4139 173.9261 176 F 4.7110 9.1224 122.5822 57.5209 38.9414 174.2661 177 S 4.6588 8.1666 117.2993 59.1394 64.5351 176.3046 178 T 4.4693 7.3261 110.0092 59.0195 70.8146 175.6260 179 L 3.8156 8.4455 120.7148 57.2232 41.8172 178.3030 180 T 4.7511 7.7904 106.3120 60.5883 69.3417 173.2584 181 C 5.2416 8.2285 122.8475 58.1012 34.5955 172.3126 182 L 4.4990 9.1976 130.4563 53.6526 43.1222 174.9568 183 E 5.2491 9.2050 126.5712 54.8027 32.4909 175.3789 184 V 5.2044 9.1311 121.3475 59.9310 35.8014 174.3843 *186 A 4.2708 8.4165 126.0339 51.3205 19.5583 176.5842 187 G 4.2992 7.7182 108.9064 46.6904 0.0000 174.3100 188 G 3.6797 9.0031 112.2415 44.8765 0.0000 172.8539 189 V 4.2604 7.1468 120.0070 61.1450 32.9159 175.3527 190 S 4.8917 8.0395 121.6904 57.2821 66.6259 175.7560 191 K 4.1524 8.6564 121.2977 59.4314 31.6834 179.9186 192 G 3.5348 8.0159 105.6539 48.2159 0.0000 175.4715 193 H 4.2284 8.3106 118.7905 58.3355 28.5979 177.8530 194 A 4.2700 8.3348 122.8428 54.9104 18.2366 179.4084 195 L 3.8697 8.3358 119.3916 58.2222 42.2053 178.7218 196 E 3.9022 8.3146 119.0169 59.3200 29.3283 178.7189 197 A 3.9881 7.7069 119.1774 55.1489 18.5483 179.5156 198 V 3.3023 7.9320 115.7819 65.8908 31.9038 177.5862 199 A 4.2650 8.4436 120.9096 55.0817 18.2648 180.8180 200 K 4.6570 7.8084 118.0699 55.9049 32.0111 178.7640 *202 L 4.3047 7.9892 118.6191 53.9200 43.4845 177.7232 203 G 3.6061 8.3059 106.5605 46.0031 0.0000 172.4219 204 Y 4.8977 8.3360 117.6818 55.9477 41.6850 173.8160 205 T 4.7517 8.8275 110.0104 59.6437 71.8710 174.7550 206 L 4.0489 8.4338 119.9383 58.0289 41.6641 180.0888 207 S 4.1777 7.6206 112.5617 61.2841 63.0011 174.7604 208 D 4.7647 8.2103 118.8377 54.6584 41.0969 175.0467 209 C 5.2631 7.7483 117.9603 57.9181 31.0917 172.2767 210 I 4.4018 8.2968 122.9102 58.9226 40.0608 174.0713 211 A 5.8565 8.7336 130.4067 49.2747 22.5830 174.7281 212 F 5.2105 8.5208 117.3606 55.9256 43.0731 174.3451 213 G 4.6574 8.5737 108.6256 45.5548 0.0000 173.2000 214 D 5.1775 9.0822 115.6960 52.4064 42.5623 175.9321 215 G 4.1097 8.2973 108.5769 46.0708 0.0000 174.7983 *217 N 4.7968 9.0575 121.9822 52.0427 38.5854 174.0709 218 D 4.7686 8.1190 117.5364 54.3989 42.6628 177.2401 219 A 4.1601 8.2692 122.8417 55.5419 18.2957 180.6678 220 E 3.8686 8.0321 110.5599 57.0935 28.8655 178.0526 *222 L 4.2740 8.0151 121.7820 54.7045 43.4799 177.8195 223 S 4.4585 7.6895 111.5905 58.4517 63.3476 173.8159 *225 A 4.0680 7.8822 122.2360 52.4938 19.4075 177.6251 226 G 4.0018 8.6512 108.0365 48.8982 0.0000 174.2509 227 K 4.5003 8.0870 121.9008 54.2229 35.4662 175.3536 228 G 4.3778 8.5275 114.0642 43.6008 0.0000 171.7764 229 C 4.8584 8.6404 122.5875 57.9645 30.9702 173.1193 230 I 4.8535 8.8934 127.0439 60.1211 39.0719 176.9758 *232 A 4.3893 8.7022 126.1007 53.1915 20.2478 177.2372 233 N 4.5827 8.1100 109.8538 52.9868 37.7865 175.1900 234 A 4.3085 7.5840 121.7034 52.2218 19.2422 177.2748 235 H 4.2313 8.6753 117.4595 55.6858 29.5192 177.1517 236 Q 3.9781 8.7549 124.0123 59.2986 28.8776 178.6248 237 R 3.9737 7.9788 119.4021 59.1514 30.0977 178.1724 238 L 4.0080 7.8054 120.2583 58.0413 41.9169 179.0493 239 K 3.9961 7.9592 116.8331 59.6463 32.1214 178.6243 240 D 4.4844 8.3522 118.6242 57.2293 40.8095 178.2809 241 L 4.1377 7.9607 120.0473 56.9294 43.6957 176.7550 242 H 5.1608 8.2491 114.8886 52.2109 28.7382 172.2762 243 P 4.5096 0.0000 0.0000 64.5944 31.7113 178.4237 244 E 4.1290 8.1309 116.8577 58.0108 30.0855 176.1830 245 L 4.4236 7.3460 119.6635 53.5480 43.1270 176.4216 246 E 4.0318 8.6860 123.8407 56.4380 30.9618 175.3877 247 V 4.7321 8.3939 127.1683 61.7567 32.6794 175.1530 248 I 4.3909 8.5382 123.8533 59.5040 40.3291 174.8388 249 G 3.9436 8.4841 109.5816 46.2713 0.0000 173.2703 250 S 4.7900 8.5112 113.7137 57.3168 63.3822 174.7761 251 N 4.4332 9.0248 122.7540 55.4131 36.7084 177.2493 252 A 4.0192 7.7674 122.5425 54.5307 18.5056 178.1730 253 D 4.5316 7.9068 115.0013 53.3109 41.8581 175.8928 254 D 4.3767 8.3034 118.9120 55.2116 39.0230 175.9106 255 A 4.0570 8.0733 122.2797 55.3159 18.4964 179.4781 256 V 3.1821 7.6966 116.4094 65.6086 31.6335 176.4072 257 P 4.3341 0.0000 0.0000 65.9483 31.1511 178.5195 258 R 4.2568 8.0680 119.1438 58.7102 29.9838 178.3070 259 Y 4.0874 8.4132 119.5124 60.7070 38.8197 178.0836 260 L 4.4472 8.4521 120.0400 58.1143 41.7425 179.7468 261 R 4.0836 8.4643 118.2578 59.1645 29.7658 179.0792 262 K 3.9500 8.0051 118.7067 59.2088 32.2268 178.3487 263 L 3.9697 7.7875 119.9192 57.5544 42.1385 177.4854 264 Y 4.4362 8.4147 115.1978 58.9395 38.9785 175.7370 265 L 4.3493 8.0274 123.3289 54.8131 41.9598 176.1841 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 2 Y 8.14 4.65 0.00 3.11 3.09 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 0.00 3 Q 8.46 3.90 0.00 1.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 4 V 8.06 4.50 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 0.86 0.00 0.00 0.72 0.00 0.00 5 V 8.56 4.72 1.10 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 1.14 0.00 0.00 0.71 0.00 0.00 6 A 9.23 5.26 1.18 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 0.00 0.00 0.00 7 S 8.98 5.21 0.00 4.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.25 5.37 0.00 3.05 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 9 L 8.62 4.47 0.00 1.74 1.54 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.71 4.47 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 11 G 8.87 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 0.00 0.00 0.00 0.00 12 T 6.93 4.39 4.38 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 1.37 0.00 0.00 13 L 7.05 4.08 0.00 1.59 1.70 0.91 1.00 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 14 L 7.89 4.33 0.00 1.68 1.52 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.81 4.39 0.00 3.99 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 16 P 0.00 4.33 0.00 2.02 2.12 0.00 3.65 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 2.01 2.08 0.00 17 D 7.92 4.56 0.00 2.73 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 18 H 8.04 3.94 0.00 2.83 3.25 0.00 5.80 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.60 5.03 0.00 3.09 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 20 L 8.36 4.68 0.00 1.51 1.55 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.24 4.14 4.30 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 1.34 0.00 0.00 22 P 0.00 4.20 0.00 2.20 2.14 0.00 3.62 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 2.11 2.12 0.00 23 Y 8.05 3.91 0.00 3.01 3.11 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 24 A 8.07 4.09 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 25 K 8.28 3.73 0.00 1.88 1.80 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.49 7.81 26 E 8.34 3.88 0.00 2.06 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 2.20 2.25 0.00 27 T 7.52 3.71 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 1.29 0.00 0.00 28 L 7.71 3.45 0.00 1.57 1.21 0.67 0.21 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 29 K 7.82 3.95 0.00 1.92 1.81 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.40 7.81 30 L 8.10 4.00 0.00 1.77 1.70 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.12 3.86 0.00 2.10 1.73 1.01 0.26 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 32 T 8.19 4.16 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 1.25 0.00 0.00 33 A 8.10 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.21 4.52 0.00 1.76 1.98 0.00 3.38 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 35 G 7.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.53 3.92 1.69 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.24 0.27 0.00 0.00 37 N 8.86 4.97 0.00 2.64 2.75 0.00 0.00 6.61 7.78 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 38 F 8.70 5.00 0.00 2.91 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 0.00 0.00 0.00 39 V 8.53 4.61 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 0.98 0.00 0.00 0.93 0.00 0.00 40 F 8.58 5.44 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.99 1.27 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 0.00 0.00 42 T 9.19 4.91 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 1.30 0.00 0.00 43 G 8.73 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 44 R 7.86 4.08 0.00 1.84 1.77 0.00 3.05 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 45 H 8.30 4.42 0.00 2.16 2.20 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.30 4.02 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.68 3.47 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0.00 0.00 1.35 0.00 0.00 65 S 9.48 3.76 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.33 4.50 0.00 2.95 2.91 0.00 0.00 7.27 7.39 0.00 0.00 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 G 8.29 4.19 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 0.00 0.00 0.00 68 A 7.95 4.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.71 5.17 0.00 1.64 1.65 0.00 3.56 0.00 0.00 3.22 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.35 0.00 70 V 7.38 4.48 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.51 0.00 0.00 71 H 8.73 5.31 0.00 2.65 2.88 0.00 5.94 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 72 D 8.65 4.43 0.00 2.59 2.78 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 73 S 8.15 4.20 0.00 3.95 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 74 D 8.25 4.58 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.29 4.37 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 0.00 76 Q 8.28 4.06 0.00 2.40 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 77 Q 8.36 3.95 0.00 1.68 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 78 I 8.52 4.10 1.69 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.99 0.00 0.00 79 F 7.40 5.06 0.00 2.77 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.65 4.91 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 81 H 9.63 4.82 0.00 3.01 3.22 0.00 5.67 0.00 0.00 0.00 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0.00 2.71 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 99 P 0.00 4.39 0.00 2.21 2.17 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 100 K 8.10 4.16 0.00 1.86 1.84 0.00 1.55 0.00 0.00 1.34 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.34 7.81 101 I 7.49 4.82 1.96 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 1.24 0.70 1.17 0.00 0.00 102 V 8.77 4.43 2.09 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 1.00 0.00 0.00 0.90 0.00 0.00 103 T 9.12 4.56 4.33 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 1.30 0.00 0.00 104 N 8.56 5.13 0.00 1.44 1.60 0.00 0.00 5.95 7.27 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 0.00 105 V 9.01 4.77 1.98 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 1.02 0.00 0.00 0.68 0.00 0.00 106 Y 9.20 5.66 0.00 3.13 3.03 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 116 H 8.46 3.94 0.00 3.13 3.23 0.00 5.70 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 0.00 117 R 8.49 3.71 0.00 1.80 1.75 0.00 3.34 0.00 0.00 3.23 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 *123 F 9.19 5.19 0.00 3.11 3.14 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 0.00 124 F 8.19 4.31 0.00 3.11 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 0.00 125 K 7.16 4.43 0.00 1.22 1.61 0.00 2.01 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.55 7.81 126 E 7.46 4.09 0.00 1.94 1.67 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 2.31 2.16 0.00 127 A 8.02 4.02 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 0.00 128 V 8.17 3.63 2.09 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 0.79 0.00 0.00 0.91 0.00 0.00 129 F 8.56 4.87 0.00 2.75 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 0.00 130 N 8.37 4.93 0.00 2.50 2.30 0.00 0.00 7.11 7.46 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 0.00 131 Y 6.80 4.18 0.00 1.79 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 0.00 132 K 8.14 4.56 0.00 0.96 1.64 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.04 7.81 133 L 8.44 4.83 0.00 1.51 1.50 0.75 0.44 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 0.00 134 Y 7.99 5.04 0.00 2.86 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 0.00 135 E 8.86 4.40 0.00 2.24 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 2.24 2.39 0.00 136 P 0.00 4.90 0.00 2.07 2.20 0.00 3.73 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 137 G 9.25 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.19 4.36 0.00 2.10 2.09 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 2.64 2.27 0.00 139 L 7.40 4.24 0.00 0.76 0.70 -0.39 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.39 4.47 0.00 2.63 2.54 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 0.00 141 P 0.00 4.80 0.00 2.18 1.80 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 142 Q 7.93 4.57 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 143 G 8.78 3.80 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 0.00 0.00 0.00 144 I 7.64 4.73 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.11 1.07 0.00 0.00 145 S 8.98 4.48 0.00 4.03 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 0.00 146 K 7.88 4.71 0.00 1.97 1.96 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.42 7.81 147 V 8.46 4.93 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 0.56 0.00 0.00 1.04 0.00 0.00 148 F 8.67 5.26 0.00 2.91 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 0.00 149 F 9.62 5.31 0.00 2.98 3.06 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 0.00 150 T 8.74 5.25 4.38 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 1.45 0.00 0.00 151 C 8.99 4.98 0.00 3.12 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 9.22 3.88 0.00 2.04 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 2.36 2.35 0.00 153 D 7.93 4.63 0.00 2.70 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 0.00 154 H 8.96 4.36 0.00 3.35 3.32 0.00 5.93 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 0.00 155 E 8.36 3.96 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 156 H 8.01 4.21 0.00 3.26 3.56 0.00 5.94 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.03 4.22 0.00 2.25 1.83 1.25 0.72 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 0.00 158 L 7.54 4.18 0.00 1.96 1.77 0.87 1.00 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 0.00 159 P 0.00 4.31 0.00 2.09 2.06 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 160 L 7.72 3.86 0.00 1.45 1.75 0.64 0.27 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 0.00 161 E 7.98 4.02 0.00 1.94 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 0.00 2.37 2.34 0.00 162 Q 7.97 4.19 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 163 A 7.80 3.84 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 *165 N 8.15 4.65 0.00 2.82 2.95 0.00 0.00 6.91 7.08 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 0.00 166 A 7.94 3.97 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 0.00 167 R 7.99 3.73 0.00 1.37 1.15 0.00 2.55 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 168 W 7.98 4.89 0.00 3.54 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 0.00 169 G 8.10 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 0.00 170 D 8.89 4.46 0.00 2.74 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 0.00 171 R 7.89 4.12 0.00 2.03 1.95 0.00 3.17 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 172 V 7.52 4.56 2.09 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 0.36 0.00 0.00 1.19 0.00 0.00 173 N 8.68 4.83 0.00 2.82 2.68 0.00 0.00 6.51 7.71 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 0.00 174 V 8.38 4.56 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 0.85 0.00 0.00 1.09 0.00 0.00 175 S 9.22 4.84 0.00 3.75 3.73 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 0.00 176 F 9.12 4.71 0.00 3.02 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 0.00 177 S 8.17 4.66 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.33 4.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 179 L 8.45 3.82 0.00 1.64 1.64 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.79 4.75 4.44 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 1.31 0.00 0.00 181 C 8.23 5.24 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 9.20 4.50 0.00 1.34 1.56 0.00 0.52 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 0.00 183 E 9.20 5.25 0.00 1.97 1.81 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 2.24 2.33 0.00 184 V 9.13 5.20 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 1.21 0.00 0.00 1.19 0.00 0.00 *186 A 8.42 4.27 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 0.00 187 G 7.72 4.30 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 0.00 188 G 9.00 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 0.00 0.00 0.00 189 V 7.15 4.26 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 1.00 0.00 0.00 0.94 0.00 0.00 190 S 8.04 4.89 0.00 4.23 4.01 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 0.00 191 K 8.66 4.15 0.00 1.85 1.94 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.63 7.81 192 G 8.02 3.53 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 0.00 0.00 0.00 193 H 8.31 4.23 0.00 3.30 3.38 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.33 4.27 1.56 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 0.00 195 L 8.34 3.87 0.00 1.84 1.87 0.89 0.78 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 0.00 196 E 8.31 3.90 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 2.34 0.00 197 A 7.71 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 7.93 3.30 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 0.50 0.00 0.00 0.80 0.00 0.00 199 A 8.44 4.27 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 0.00 200 K 7.81 4.66 0.00 2.01 1.82 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *202 L 7.99 4.30 0.00 2.05 2.07 1.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.31 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 0.00 204 Y 8.34 4.90 0.00 3.05 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 0.00 205 T 8.83 4.75 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 1.25 0.00 0.00 206 L 8.43 4.05 0.00 1.73 1.76 0.96 0.81 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 0.00 207 S 7.62 4.18 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 D 8.21 4.76 0.00 2.90 2.51 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 0.00 209 C 7.75 5.26 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 I 8.30 4.40 0.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.03 1.06 0.00 0.00 211 A 8.73 5.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 F 8.52 5.21 0.00 2.96 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 0.00 213 G 8.57 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 D 9.08 5.18 0.00 2.78 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 0.00 215 G 8.30 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 *217 N 9.06 4.80 0.00 3.02 3.03 0.00 0.00 5.78 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 D 8.12 4.77 0.00 2.84 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 0.00 219 A 8.27 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 E 8.03 3.87 0.00 1.97 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 2.39 2.44 0.00 *222 L 8.02 4.27 0.00 1.62 1.63 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 223 S 7.69 4.46 0.00 3.94 3.67 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 *225 A 7.88 4.07 1.19 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 0.00 0.00 226 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.09 4.50 0.00 1.60 0.74 0.00 1.37 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.07 7.81 228 G 8.53 4.38 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 0.00 229 C 8.64 4.86 0.00 2.12 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 0.00 230 I 8.89 4.85 1.86 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 1.09 0.95 0.92 0.00 0.00 *232 A 8.70 4.39 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 0.00 233 N 8.11 4.58 0.00 2.81 2.91 0.00 0.00 5.98 7.26 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 0.00 234 A 7.58 4.31 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 0.00 235 H 8.68 4.23 0.00 3.22 3.21 0.00 5.63 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 0.00 236 Q 8.75 3.98 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 237 R 7.98 3.97 0.00 1.88 1.89 0.00 3.22 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 238 L 7.81 4.01 0.00 1.80 1.89 0.99 0.71 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 0.00 239 K 7.96 4.00 0.00 1.93 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.54 7.81 240 D 8.35 4.48 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 L 7.96 4.14 0.00 1.73 1.80 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 242 H 8.25 5.16 0.00 3.21 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 P 0.00 4.51 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 244 E 8.13 4.13 0.00 2.14 2.26 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 2.37 2.29 0.00 245 L 7.35 4.42 0.00 1.64 1.57 0.86 1.09 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 0.00 246 E 8.69 4.03 0.00 2.06 1.78 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 2.41 2.36 0.00 247 V 8.39 4.73 2.09 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 0.91 0.00 0.00 0.93 0.00 0.00 248 I 8.54 4.39 1.95 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 1.28 0.80 0.77 0.00 0.00 249 G 8.48 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 0.00 0.00 0.00 250 S 8.51 4.79 0.00 3.86 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 0.00 251 N 9.02 4.43 0.00 3.12 3.14 0.00 0.00 7.10 6.33 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 0.00 252 A 7.77 4.02 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 0.00 253 D 7.91 4.53 0.00 2.82 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 0.00 254 D 8.30 4.38 0.00 2.75 2.64 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 0.00 255 A 8.07 4.06 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 0.00 256 V 7.70 3.18 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 0.21 0.00 0.00 0.78 0.00 0.00 257 P 0.00 4.33 0.00 2.55 2.35 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.20 0.00 258 R 8.07 4.26 0.00 1.94 2.11 0.00 3.13 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 259 Y 8.41 4.09 0.00 3.26 3.20 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 0.00 260 L 8.45 4.45 0.00 2.07 1.94 1.06 1.26 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 0.00 261 R 8.46 4.08 0.00 2.11 2.06 0.00 3.16 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 1.65 1.88 0.00 262 K 8.01 3.95 0.00 1.87 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 263 L 7.79 3.97 0.00 1.55 1.87 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 264 Y 8.41 4.44 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 L 8.03 4.35 0.00 1.80 1.61 0.93 0.77 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 * Residues marked with a * may have inaccurate shift predictions.