NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2468 7.8827 121.4505 61.2253 38.6430 173.7642 17 V 4.3565 8.9184 126.2323 61.7659 32.7461 174.5505 18 G 3.8274 8.4778 113.9912 46.5409 0.0000 173.4055 19 G 4.1357 7.6838 109.6512 44.2578 0.0000 172.4238 20 Y 4.9762 7.9894 116.9616 55.1736 42.2750 174.7929 21 T 4.3866 8.5658 116.9179 63.8891 68.4510 175.6137 22 C 4.3095 8.6087 125.2699 59.9880 36.8569 175.1892 23 G 4.0271 8.7767 106.3801 44.4658 0.0000 172.4934 24 A 4.1279 8.6801 125.2969 53.8423 18.3787 176.7636 25 N 4.2553 8.8708 119.7015 54.6644 36.2120 175.5335 26 T 4.1682 7.7468 108.1899 62.8713 69.9511 175.0047 27 V 4.0822 7.0708 121.9279 59.6146 31.3511 173.5549 28 P 4.4307 0.0000 0.0000 64.2987 31.7101 178.0905 29 Y 5.1831 6.8318 114.6314 56.2542 38.7895 174.6610 30 Q 4.4908 7.5459 123.6877 56.2780 29.6598 175.3044 31 V 4.8076 8.8799 125.6702 61.1389 35.4205 173.7732 32 S 5.1203 8.6752 120.4312 56.4609 65.0184 172.5899 33 L 4.4220 8.5003 127.9294 53.6299 42.9741 175.1318 34 N 5.7293 8.9747 122.7488 50.0226 42.0158 174.9703 *37 S 4.2470 8.4319 120.4000 58.3532 64.1612 174.5210 38 G 4.0270 9.7034 108.9270 45.9060 0.0000 172.8946 39 Y 4.4834 6.7178 115.4583 56.3788 39.7990 172.3401 40 H 4.5709 8.8897 121.7015 56.1461 30.3556 174.7720 41 F 4.9804 7.6414 119.8604 56.8064 39.6020 173.7636 42 C 4.7237 6.8140 115.0301 56.2696 44.7900 172.9725 43 G 4.3026 8.8444 108.9664 45.3757 0.0000 172.1629 44 G 4.6553 8.1815 105.3297 46.3482 0.0000 172.5981 45 S 5.4981 8.9727 115.6270 56.4467 66.8323 173.6448 46 L 4.8433 9.0549 127.6068 54.8583 42.3175 177.0925 47 I 4.3889 8.5169 119.9530 61.1647 38.6791 174.5033 48 N 4.6596 7.6905 117.4552 52.0119 39.5034 175.0602 49 S 4.2031 8.6600 112.2572 61.1172 62.9412 175.2996 50 Q 4.6874 9.1788 117.7791 54.9197 31.0630 174.8896 51 W 5.5412 8.4854 119.1323 54.8978 33.5285 174.3841 52 V 5.1794 9.1195 123.4259 61.0529 34.5946 174.3504 53 V 4.9820 8.9407 126.2443 60.5547 33.9555 174.9147 54 S 4.6240 8.9181 116.6182 57.8870 66.0711 171.9544 55 A 4.6455 8.5397 120.7056 50.7299 20.2647 178.4700 56 A 3.8139 8.3681 124.9111 55.3675 18.4563 179.0491 57 H 4.5860 8.5849 109.0341 57.1298 28.5568 175.2271 58 C 4.7102 7.8123 117.1282 57.0023 40.5908 173.3444 59 Y 4.2237 7.6972 121.9678 58.0049 38.8121 175.2414 60 K 3.7392 6.6190 124.2710 55.3624 34.8622 174.6506 61 S 4.1822 8.1396 118.5182 58.1440 64.8268 173.6360 62 G 3.7473 8.2504 107.6286 46.6581 0.0000 173.5240 63 I 4.4227 7.0791 118.8174 59.6698 40.3308 176.2585 64 Q 4.7761 8.7510 127.7575 54.2303 31.3760 174.2899 65 V 4.1595 9.0022 127.3810 62.1102 33.4488 174.7167 66 R 5.0625 8.8205 126.9576 54.7068 32.4662 175.2509 67 L 4.6351 8.8874 124.6331 52.7915 44.5783 177.4863 *69 G 3.7007 8.1920 106.5340 45.5320 0.0000 172.8972 70 E 4.5098 8.2599 118.1666 55.2608 30.3141 174.3049 71 D 4.7284 7.8204 117.5529 55.0468 44.0082 174.3909 72 N 4.8413 8.6275 126.2109 52.4424 38.3714 176.1344 73 I 3.7524 8.4670 119.6678 62.2296 37.6127 176.5700 74 N 4.7575 8.4126 117.8568 53.2442 39.3623 174.9786 75 V 4.3468 7.4531 117.8957 60.6350 34.5276 174.8782 76 V 4.0035 8.4790 126.6781 62.9588 31.1903 175.1850 77 E 4.4138 9.9331 127.7655 55.4591 30.8561 177.0695 78 G 3.9447 8.5549 106.4446 46.3455 0.0000 173.9555 79 N 4.6183 8.9783 117.4785 52.6256 36.7259 174.3927 80 E 4.5866 7.5967 116.8904 56.2181 30.8896 176.3843 81 Q 4.3750 8.8624 120.9316 54.3914 32.6215 174.1125 82 F 5.5115 8.7851 123.4775 56.2083 40.6462 175.6307 83 I 4.6847 8.8677 124.5997 59.4823 41.0571 175.4604 84 S 4.6108 8.7419 122.4004 58.2767 64.3415 173.0464 85 A 4.5961 8.4162 125.1897 51.8071 18.4390 177.9419 86 S 4.4923 9.0399 117.9812 60.0717 64.3968 174.7477 87 K 4.4860 7.4199 116.4501 55.9871 35.2548 174.3417 88 S 5.1404 8.9387 118.4259 57.0746 65.5603 173.7659 89 I 4.4280 9.4829 127.6563 59.5062 38.1506 175.0690 90 V 4.1153 8.2122 126.9385 62.3023 32.6536 175.0870 91 H 3.9936 8.6272 126.9758 55.7844 29.9745 174.4107 92 P 4.2483 0.0000 0.0000 65.5254 31.3510 177.1361 93 S 4.6712 8.0330 111.3848 58.1276 62.6975 173.3485 94 Y 4.3431 8.1460 123.7451 57.6276 39.0590 174.3642 95 N 4.7808 8.0974 125.1464 51.3330 40.5797 175.2074 96 S 3.9405 7.8470 119.8442 59.7841 63.6624 175.0953 97 N 4.4035 8.6773 119.2663 55.4041 38.6002 176.1414 98 T 3.9749 7.7606 105.4362 60.8218 69.9233 175.0565 99 L 3.7974 7.9475 120.8183 55.4126 39.9382 173.9998 100 N 4.4909 7.6876 117.8391 54.6652 39.5527 174.5046 101 N 4.9805 8.6580 119.1500 53.8435 36.0263 175.6925 102 D 4.7318 7.9293 117.5832 53.0332 40.0433 174.5344 103 I 4.7824 7.2022 121.0912 59.2254 42.2232 172.7202 104 M 5.4027 9.2664 127.3270 54.0924 36.2634 173.2545 105 L 5.3627 9.2647 124.7843 53.1623 44.8659 175.3708 106 I 5.0241 9.1034 124.1785 59.4271 40.3911 174.2960 107 K 3.6196 8.5425 129.2418 54.5914 33.4634 175.5875 108 L 4.4441 8.0711 128.1202 54.0894 41.9053 177.0361 109 K 4.0055 8.7096 124.8258 59.1735 32.5669 177.1536 110 S 4.6660 7.7210 112.5525 56.0254 66.8318 173.2941 111 A 4.3945 8.3947 124.3781 52.0084 18.7417 177.4430 112 A 4.2197 9.0132 123.9559 51.7275 19.7659 177.4578 113 S 4.4674 9.1705 116.1441 57.0370 62.7589 174.0591 114 L 4.5773 8.5021 128.3486 54.6276 42.4354 176.7142 115 N 4.7235 8.7403 119.8233 52.5514 39.3872 175.0470 116 S 3.8805 8.8357 110.6540 61.2040 62.4101 176.0036 117 R 4.3362 9.1101 118.1454 56.0384 30.8035 175.8206 118 V 4.4877 7.7372 117.1548 61.0042 33.1318 173.4822 119 A 5.1981 8.5229 128.4548 50.0603 22.9668 175.1572 120 S 5.0663 8.7161 114.0629 57.8100 64.8843 173.0453 121 I 4.5017 8.3256 120.7773 59.1370 39.9847 175.3059 122 S 4.4885 8.3715 123.3610 58.1659 64.2058 173.8095 123 L 4.3490 8.3306 122.8476 53.3875 42.4930 175.3211 124 P 4.5100 0.0000 0.0000 63.0108 32.1460 176.2645 125 T 4.2365 8.2287 108.5872 62.1278 70.1748 174.4395 *127 S 4.6310 7.5749 114.9927 58.0835 64.0351 174.1651 128 C 4.4167 8.4208 118.2709 56.7453 40.7259 173.4261 129 A 4.4202 8.0266 124.8748 51.3634 19.7872 177.3887 130 S 4.3849 8.0683 114.5129 56.7502 65.1584 173.1735 *132 A 4.2290 8.1507 123.0941 53.3543 19.1695 177.3886 133 G 3.9612 9.3474 110.4094 45.4427 0.0000 174.3164 134 T 3.9981 7.4552 117.5106 63.5379 69.4137 173.5662 135 Q 4.7072 8.5943 127.8131 55.9987 30.1720 175.3736 136 C 5.2797 9.5668 122.6789 55.1242 46.4884 172.3689 137 L 5.2020 9.1277 122.9251 53.6109 43.7539 175.0794 138 I 5.1864 9.2424 127.3933 58.8387 40.1090 174.8713 139 S 4.8876 8.5561 119.1796 56.4550 66.5580 173.0061 140 G 3.7473 7.2431 108.0835 46.1753 0.0000 172.9022 141 W 4.6126 8.5021 116.9756 56.2634 29.3916 176.9568 142 G 4.1605 8.4252 109.1327 44.3132 0.0000 173.4861 143 N 3.6955 8.8519 118.2507 54.4394 38.8972 174.4968 144 T 5.1060 8.0619 113.1315 60.5219 69.5055 174.3799 145 K 4.6557 7.6526 120.9167 54.7255 35.2128 176.4349 146 S 4.2607 8.7961 118.8168 60.8024 63.1012 175.0069 147 S 4.5487 8.1010 115.3238 57.7151 65.1205 174.6069 148 G 3.8769 9.2343 112.4668 44.5502 0.0000 171.8453 149 T 4.7224 7.6545 113.2940 62.0119 72.5515 174.6233 150 S 4.2813 8.5484 117.1418 58.1995 65.4382 173.0938 151 Y 4.9815 8.5938 126.0327 55.9288 38.9150 174.4705 152 P 4.6773 0.0000 0.0000 62.5108 32.9077 175.7975 153 D 4.6175 8.7359 117.8902 56.1557 41.5174 177.2924 154 V 5.5899 7.3935 109.8198 58.5727 34.3596 175.8128 155 L 3.1924 8.2556 124.5491 55.0506 42.9877 175.9016 156 K 4.8173 8.2175 125.1769 54.9016 35.0120 174.6417 157 C 5.2475 8.8762 120.9192 55.0940 40.6495 172.9660 158 L 5.0101 8.6876 123.2125 53.7787 45.5298 174.5606 159 K 5.1462 9.0214 125.6114 55.3073 33.4200 175.8316 160 A 4.8684 9.3248 126.4370 49.7781 23.1671 173.2379 161 P 5.1059 0.0000 0.0000 61.6855 34.0681 174.8161 162 I 4.4681 8.1704 122.4498 61.1331 38.2428 175.8195 163 L 4.7624 8.7192 127.4230 53.3514 43.2955 176.9791 164 S 4.3440 8.4196 114.8540 58.1401 63.9613 175.0994 165 D 4.4164 8.7567 122.1744 57.5134 40.5422 179.2059 166 S 4.1245 8.0368 114.2858 61.7664 62.9499 176.7115 167 S 4.1343 7.8553 119.1923 61.1314 62.0083 175.8101 168 C 4.2631 8.3196 121.2210 59.7679 43.1899 175.9054 169 K 4.0835 8.1977 119.1957 59.4560 31.7226 179.2545 170 S 4.3074 8.0696 114.0008 60.6551 62.8196 176.0616 171 A 4.2463 7.5664 123.1271 53.7421 18.5066 177.9771 172 S 4.5199 7.2935 108.9528 57.7668 65.7924 174.0868 173 S 4.7364 8.8183 122.9149 58.7863 63.2024 174.5814 174 R 4.5532 7.5895 115.5408 56.5547 29.7392 175.4589 175 I 4.5803 7.6436 112.0199 59.8604 39.4321 175.6840 176 I 4.3969 7.9561 115.8424 58.4527 37.1006 176.1490 177 T 4.2932 8.7127 117.6134 63.4394 68.8432 175.5770 178 S 4.3956 7.9727 116.1100 60.1353 63.8270 174.2780 179 N 5.1337 9.2500 116.7796 53.0182 40.6795 174.0111 180 M 5.6372 7.9790 117.9684 53.9230 37.2316 173.7828 181 F 5.2569 8.6616 113.8737 56.2177 41.8356 172.5148 182 C 5.7326 9.2625 116.7986 55.2144 42.3178 172.5293 183 A 4.9838 8.6341 121.6384 51.4290 22.3276 175.8543 184 G 3.9508 6.9577 106.4031 44.5418 0.0000 172.5772 184A Y 4.5742 8.5025 119.4316 55.9292 40.5206 176.4653 185 L 4.0251 8.6405 125.9144 57.4548 41.9408 178.6895 186 E 4.0849 8.2799 114.4504 56.3589 29.9072 177.5049 187 G 3.9168 8.3093 108.2923 45.4917 0.0000 173.5069 188 G 4.0038 9.5788 106.7872 44.6380 0.0000 173.5191 188A K 4.8297 7.2933 117.5712 55.1441 35.5321 175.1054 189 D 4.6451 8.8251 123.3874 53.7958 45.6274 174.7984 190 S 4.8409 8.7280 116.9380 58.0685 65.2559 172.9154 191 C 4.7308 9.3575 118.6103 55.4954 42.9597 172.1912 192 Q 4.2605 8.7108 118.3489 58.1863 28.4504 178.1084 193 G 4.5212 9.3296 110.9415 45.6650 0.0000 173.9380 194 D 4.6860 8.4950 118.7434 55.3692 41.7191 176.7656 195 S 4.5032 8.0545 115.5038 60.5132 63.5206 175.5355 196 G 4.1366 8.8911 112.4678 46.3972 0.0000 173.7117 197 G 4.3838 7.9742 107.5069 45.3553 0.0000 171.1012 198 P 5.2434 0.0000 0.0000 62.0569 33.7333 175.5864 199 V 4.6246 8.5091 120.5247 61.4444 34.1969 173.9036 200 V 4.7856 8.7331 128.7350 61.2454 34.1302 173.7541 201 C 5.0139 8.6324 124.4554 55.7232 43.9634 174.5794 202 S 3.6238 9.7047 119.0678 59.6895 59.8367 172.8066 203 G 3.9318 8.5727 106.0926 45.4119 0.0000 174.0377 204 K 4.6728 7.4540 117.9557 53.1195 34.8894 175.3681 *209 L 4.2634 8.2880 123.2240 55.4329 42.3301 175.8255 210 Q 4.5685 8.9197 125.7688 56.4128 31.1762 175.7321 211 G 5.3677 7.9859 104.7159 45.8546 0.0000 171.4891 212 I 5.2988 8.2142 119.5599 58.9072 41.2545 175.2253 213 V 3.7346 8.9021 127.3651 63.9521 31.7902 174.3145 214 S 4.8493 8.4900 121.2409 58.7171 64.2291 174.4844 215 W 5.0412 7.3893 114.5007 56.4521 31.7079 172.5932 216 G 3.9765 8.5419 107.0119 46.6999 0.0000 173.6043 217 S 4.5679 8.0683 115.7255 56.6972 61.9653 172.9764 *219 G 4.2669 7.9029 118.1046 45.4626 0.0000 170.6304 220 C 4.8982 8.3261 116.6123 56.7495 45.0376 173.7651 221 A 3.9408 9.0436 126.2751 53.1624 16.8246 176.8482 221A Q 4.5959 7.2703 117.5041 55.8305 30.1195 175.9274 222 K 4.2241 8.4555 121.8015 58.0594 32.6347 176.2816 223 N 4.3001 9.3547 121.5462 53.9645 36.9236 175.1935 224 K 4.5117 7.6006 117.9838 53.5733 32.2278 174.0506 225 P 4.5536 0.0000 0.0000 61.9331 33.0700 176.9863 226 G 3.5907 8.3803 106.6542 46.1929 0.0000 172.5983 227 V 4.4910 7.7456 121.7829 60.7499 34.0759 174.1657 228 Y 4.8875 8.3693 124.2932 55.9607 42.3697 174.8665 229 T 4.4919 8.5223 119.0108 63.5644 70.0099 174.6415 230 K 5.1525 9.3477 128.9923 55.0742 30.9390 176.8677 231 V 3.9504 8.8524 125.4403 65.6587 31.8047 175.9712 232 C 4.2948 8.3624 113.0843 58.0723 41.4861 173.8519 233 N 4.6824 7.9615 116.0360 53.2327 38.1221 174.8701 234 Y 4.8354 8.1054 114.5308 56.8880 40.2120 177.4545 235 V 3.6712 8.2068 120.5619 66.3630 31.5013 177.7576 236 S 4.1554 8.1588 114.0963 61.3569 62.7446 176.3505 237 W 4.1645 8.3396 130.3573 60.5850 30.4918 177.4212 238 I 3.3520 8.3087 120.0121 64.6276 36.5996 178.4242 239 K 3.7602 8.0122 118.6512 59.5929 31.7604 179.5644 240 Q 3.8736 8.0127 118.2230 59.0931 28.3601 178.9915 241 T 3.5115 7.5065 116.1295 66.5037 68.7311 176.5956 242 I 2.6555 7.2471 121.6350 63.8807 36.7240 178.3943 243 A 3.9894 7.7182 120.8697 54.3452 18.2376 178.7680 244 S 4.5575 7.4031 110.0683 58.4744 63.6450 174.1369 245 N 4.6824 7.7837 125.1271 53.7619 39.0661 174.0170 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 16 I 7.88 4.25 1.80 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 1.38 0.56 0.86 0.00 0.00 17 V 8.92 4.36 2.08 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 0.96 0.00 0.00 0.92 0.00 0.00 18 G 8.48 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.68 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.99 4.98 0.00 2.92 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 21 T 8.57 4.39 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 1.25 0.00 0.00 22 C 8.61 4.31 0.00 2.75 3.04 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 23 G 8.78 4.03 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 0.00 0.00 0.00 24 A 8.68 4.13 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 25 N 8.87 4.26 0.00 2.88 2.91 0.00 0.00 7.18 7.54 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 26 T 7.75 4.17 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 1.25 0.00 0.00 27 V 7.07 4.08 1.74 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 0.27 0.00 0.00 0.74 0.00 0.00 28 P 0.00 4.43 0.00 2.38 2.32 0.00 3.76 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 2.19 1.99 0.00 29 Y 6.83 5.18 0.00 3.27 3.45 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 30 Q 7.55 4.49 0.00 1.78 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.68 0.00 0.00 0.00 0.00 0.00 1.86 2.48 0.00 31 V 8.88 4.81 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 0.90 0.00 0.00 1.06 0.00 0.00 32 S 8.68 5.12 0.00 3.14 3.29 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 33 L 8.50 4.42 0.00 0.45 0.87 0.74 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.97 5.73 0.00 2.42 2.46 0.00 0.00 6.78 8.25 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 *37 S 8.43 4.25 0.00 3.77 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 38 G 9.70 4.03 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 0.00 0.00 0.00 39 Y 6.72 4.48 0.00 3.05 2.94 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 40 H 8.89 4.57 0.00 2.87 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.64 4.98 0.00 2.96 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 42 C 6.81 4.72 0.00 2.12 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 43 G 8.84 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 44 G 8.18 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 45 S 8.97 5.50 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.05 4.84 0.00 1.90 1.69 1.10 0.67 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 47 I 8.52 4.39 1.91 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 1.60 0.91 0.96 0.00 0.00 48 N 7.69 4.66 0.00 3.00 3.00 0.00 0.00 6.00 7.64 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 49 S 8.66 4.20 0.00 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 9.18 4.69 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 51 W 8.49 5.54 0.00 3.31 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 52 V 9.12 5.18 2.14 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 1.17 0.00 0.00 0.98 0.00 0.00 53 V 8.94 4.98 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 0.97 0.00 0.00 1.08 0.00 0.00 54 S 8.92 4.62 0.00 3.89 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 55 A 8.54 4.65 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 56 A 8.37 3.81 0.49 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 57 H 8.58 4.59 0.00 3.37 3.58 0.00 5.55 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.81 4.71 0.00 3.22 3.30 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 59 Y 7.70 4.22 0.00 2.96 2.95 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 60 K 6.62 3.74 0.00 1.23 1.16 0.00 0.95 0.00 0.00 1.26 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.01 7.81 61 S 8.14 4.18 0.00 3.96 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 62 G 8.25 3.75 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 63 I 7.08 4.42 1.85 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 1.33 0.78 0.92 0.00 0.00 64 Q 8.75 4.78 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 65 V 9.00 4.16 2.17 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 0.97 0.00 0.00 0.89 0.00 0.00 66 R 8.82 5.06 0.00 1.64 1.76 0.00 2.67 0.00 0.00 2.57 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.16 0.00 67 L 8.89 4.64 0.00 1.62 1.69 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.26 4.51 0.00 2.11 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 2.49 2.05 0.00 71 D 7.82 4.73 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.63 4.84 0.00 2.83 2.86 0.00 0.00 7.17 8.38 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 73 I 8.47 3.75 1.43 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 -0.51 0.00 0.00 74 N 8.41 4.76 0.00 2.85 2.89 0.00 0.00 6.61 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 75 V 7.45 4.35 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 0.77 0.00 0.00 0.95 0.00 0.00 76 V 8.48 4.00 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 0.83 0.00 0.00 0.94 0.00 0.00 77 E 9.93 4.41 0.00 1.94 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 2.27 2.46 0.00 78 G 8.55 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 79 N 8.98 4.62 0.00 2.90 3.17 0.00 0.00 7.01 7.66 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 80 E 7.60 4.59 0.00 1.54 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 2.56 2.59 0.00 81 Q 8.86 4.38 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 82 F 8.79 5.51 0.00 2.82 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 83 I 8.87 4.68 1.88 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 1.25 0.91 0.88 0.00 0.00 84 S 8.74 4.61 0.00 3.75 3.74 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 85 A 8.42 4.60 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 86 S 9.04 4.49 0.00 3.76 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 87 K 7.42 4.49 0.00 1.82 1.88 0.00 1.44 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.36 7.81 88 S 8.94 5.14 0.00 4.10 4.07 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 89 I 9.48 4.43 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 1.06 0.00 0.00 90 V 8.21 4.12 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 0.64 0.00 0.00 0.74 0.00 0.00 91 H 8.63 3.99 0.00 2.93 2.97 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 2.09 2.16 0.00 3.32 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 2.18 2.24 0.00 93 S 8.03 4.67 0.00 3.92 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 94 Y 8.15 4.34 0.00 3.08 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 95 N 8.10 4.78 0.00 2.59 2.42 0.00 0.00 6.66 6.95 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 96 S 7.85 3.94 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.68 4.40 0.00 2.71 2.79 0.00 0.00 6.89 7.49 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 98 T 7.76 3.97 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 99 L 7.95 3.80 0.00 1.47 1.88 0.68 1.22 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 0.00 100 N 7.69 4.49 0.00 2.74 2.65 0.00 0.00 7.24 6.88 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 0.00 101 N 8.66 4.98 0.00 2.93 2.60 0.00 0.00 7.23 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 0.00 102 D 7.93 4.73 0.00 3.10 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 0.00 103 I 7.20 4.78 1.44 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.15 0.08 0.00 0.00 104 M 9.27 5.40 0.00 2.23 1.83 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 105 L 9.26 5.36 0.00 1.83 1.94 1.19 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.10 5.02 1.92 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 1.19 0.86 0.87 0.00 0.00 107 K 8.54 3.62 0.00 0.79 1.07 0.00 1.41 0.00 0.00 1.37 0.00 0.00 2.66 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.69 0.21 7.81 108 L 8.07 4.44 0.00 1.47 1.57 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.71 4.01 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.40 7.81 110 S 7.72 4.67 0.00 3.81 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 0.00 111 A 8.39 4.39 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 0.00 112 A 9.01 4.22 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 0.00 113 S 9.17 4.47 0.00 3.85 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 0.00 114 L 8.50 4.58 0.00 1.70 1.61 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.74 4.72 0.00 2.90 2.89 0.00 0.00 6.39 8.44 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 0.00 116 S 8.84 3.88 0.00 3.86 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 0.00 117 R 9.11 4.34 0.00 1.96 2.11 0.00 3.32 0.00 0.00 3.10 7.31 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.57 4.63 0.00 4.00 3.99 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 0.00 128 C 8.42 4.42 0.00 2.93 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 0.00 129 A 8.03 4.42 1.04 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 0.00 130 S 8.07 4.38 0.00 3.97 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 *132 A 8.15 4.23 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 0.00 133 G 9.35 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 0.00 0.00 0.00 134 T 7.46 4.00 4.17 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 1.14 0.00 0.00 135 Q 8.59 4.71 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 136 C 9.57 5.28 0.00 2.84 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 0.00 137 L 9.13 5.20 0.00 1.75 1.58 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.24 5.19 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.49 0.99 0.00 0.00 139 S 8.56 4.89 0.00 3.54 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.24 3.75 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 0.00 141 W 8.50 4.61 0.00 3.15 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 0.00 142 G 8.43 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 0.00 143 N 8.85 3.70 0.00 2.29 2.65 0.00 0.00 7.12 7.69 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 0.00 144 T 8.06 5.11 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 1.29 0.00 0.00 145 K 7.65 4.66 0.00 1.66 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.36 7.81 146 S 8.80 4.26 0.00 3.85 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 0.00 147 S 8.10 4.55 0.00 3.80 3.74 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 0.00 148 G 9.23 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 0.00 149 T 7.65 4.72 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 1.21 0.00 0.00 150 S 8.55 4.28 0.00 3.83 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 0.00 151 Y 8.59 4.98 0.00 3.00 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 0.00 152 P 0.00 4.68 0.00 2.44 2.11 0.00 4.16 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 2.19 2.05 0.00 153 D 8.74 4.62 0.00 2.80 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 0.00 154 V 7.39 5.59 2.15 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 0.61 0.00 0.00 0.97 0.00 0.00 155 L 8.26 3.19 0.00 1.39 1.26 -0.93 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.22 4.82 0.00 1.67 1.50 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.47 7.81 157 C 8.88 5.25 0.00 1.58 2.15 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 0.00 158 L 8.69 5.01 0.00 1.68 1.45 1.01 0.88 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 0.00 159 K 9.02 5.15 0.00 1.82 1.83 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.70 7.81 160 A 9.32 4.87 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 0.00 161 P 0.00 5.11 0.00 2.00 2.06 0.00 3.03 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 162 I 8.17 4.47 1.72 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.74 0.75 0.00 0.00 163 L 8.72 4.76 0.00 1.52 1.58 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.42 4.34 0.00 3.99 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 0.00 165 D 8.76 4.42 0.00 2.75 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 0.00 166 S 8.04 4.12 0.00 4.05 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 0.00 167 S 7.86 4.13 0.00 3.97 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 0.00 168 C 8.32 4.26 0.00 3.20 3.29 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 0.00 169 K 8.20 4.08 0.00 1.90 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.73 7.81 170 S 8.07 4.31 0.00 3.99 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 0.00 171 A 7.57 4.25 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 0.00 172 S 7.29 4.52 0.00 3.94 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 0.00 173 S 8.82 4.74 0.00 4.04 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 0.00 174 R 7.59 4.55 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.50 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 175 I 7.64 4.58 2.00 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 1.55 0.98 1.15 0.00 0.00 176 I 7.96 4.40 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.95 0.00 0.00 177 T 8.71 4.29 4.41 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 1.26 0.00 0.00 178 S 7.97 4.40 0.00 3.98 4.03 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 0.00 179 N 9.25 5.13 0.00 2.76 3.06 0.00 0.00 6.64 7.54 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 0.00 180 M 7.98 5.64 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.68 0.00 181 F 8.66 5.26 0.00 3.08 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 0.00 182 C 9.26 5.73 0.00 2.94 3.04 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 0.00 183 A 8.63 4.98 1.17 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 0.00 0.00 184 G 6.96 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 184A Y 8.50 4.57 0.00 3.06 3.29 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 0.00 185 L 8.64 4.03 0.00 1.74 1.75 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.28 4.08 0.00 2.11 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 0.00 2.34 2.28 0.00 187 G 8.31 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 0.00 0.00 0.00 188 G 9.58 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 188A K 7.29 4.83 0.00 1.32 1.58 0.00 1.38 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.15 1.16 7.81 189 D 8.83 4.65 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.73 4.84 0.00 3.99 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 C 9.36 4.73 0.00 2.93 3.10 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 0.00 192 Q 8.71 4.26 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.15 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 193 G 9.33 4.52 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 0.00 0.00 0.00 194 D 8.50 4.69 0.00 2.93 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 0.00 195 S 8.05 4.50 0.00 3.97 3.86 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 0.00 196 G 8.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.97 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 0.00 198 P 0.00 5.24 0.00 2.32 2.36 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 199 V 8.51 4.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.62 0.00 0.00 200 V 8.73 4.79 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.65 0.00 0.00 201 C 8.63 5.01 0.00 2.79 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 0.00 202 S 9.70 3.62 0.00 3.99 3.93 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 0.00 203 G 8.57 3.93 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 0.00 0.00 0.00 204 K 7.45 4.67 0.00 1.75 1.63 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.29 4.26 0.00 1.50 1.63 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.92 4.57 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.38 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 211 G 7.99 5.37 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 0.00 212 I 8.21 5.30 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.99 0.00 0.00 213 V 8.90 3.73 2.31 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 0.96 0.00 0.00 1.22 0.00 0.00 214 S 8.49 4.85 0.00 3.93 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 0.00 215 W 7.39 5.04 0.00 3.45 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 0.00 216 G 8.54 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 0.00 217 S 8.07 4.57 0.00 4.00 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 *219 G 7.90 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 0.00 0.00 0.00 0.00 220 C 8.33 4.90 0.00 2.94 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 0.00 221 A 9.04 3.94 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 221A Q 7.27 4.60 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 222 K 8.46 4.22 0.00 1.71 1.73 0.00 2.00 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.55 7.81 223 N 9.35 4.30 0.00 2.88 2.91 0.00 0.00 6.79 7.72 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 0.00 224 K 7.60 4.51 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 225 P 0.00 4.55 0.00 2.06 2.05 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 1.91 1.95 0.00 226 G 8.38 3.59 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 0.00 0.00 0.00 227 V 7.75 4.49 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 0.55 0.00 0.00 -0.44 0.00 0.00 228 Y 8.37 4.89 0.00 1.43 2.48 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 0.00 229 T 8.52 4.49 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 230 K 9.35 5.15 0.00 2.09 1.91 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.56 7.81 231 V 8.85 3.95 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 1.14 0.00 0.00 1.16 0.00 0.00 232 C 8.36 4.29 0.00 3.12 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 0.00 233 N 7.96 4.68 0.00 2.41 2.55 0.00 0.00 6.78 7.32 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 0.00 234 Y 8.11 4.84 0.00 3.22 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 0.00 235 V 8.21 3.67 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.06 0.00 0.00 236 S 8.16 4.16 0.00 3.99 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 0.00 237 W 8.34 4.16 0.00 3.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.31 3.35 2.04 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.91 0.81 0.00 0.00 239 K 8.01 3.76 0.00 1.75 1.77 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.59 7.81 240 Q 8.01 3.87 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 241 T 7.51 3.51 3.41 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 0.73 0.00 0.00 242 I 7.25 2.66 1.32 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.21 0.18 0.00 0.00 243 A 7.72 3.99 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 0.00 244 S 7.40 4.56 0.00 3.95 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 0.00 245 N 7.78 4.68 0.00 3.05 3.04 0.00 0.00 6.76 7.62 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 * Residues marked with a * may have inaccurate shift predictions.