NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.9958 8.3549 109.7404 45.4551 0.0000 172.7537 12 R 4.6523 9.5092 125.6812 52.0952 33.8015 173.4235 13 T 5.1590 9.1716 113.6916 60.2046 72.0151 172.4964 14 Y 4.8006 9.0759 120.8155 56.2209 42.3473 174.3681 15 V 4.7002 8.4397 122.1426 61.3196 34.3089 174.3861 16 Y 4.3746 9.0072 125.2227 56.6818 40.1020 174.9294 17 D 4.4993 9.6737 126.4022 55.6285 39.3318 173.1534 18 N 4.0586 7.9868 113.6741 54.2901 37.0562 175.0256 19 K 4.5526 7.8199 120.8398 52.9768 33.5643 178.6964 20 Y 5.2064 8.4355 121.5985 55.8885 39.8167 174.7658 21 Y 4.9725 9.3784 120.3576 56.2166 42.2230 174.4649 22 K 5.6662 8.9663 122.1278 53.2235 35.9636 175.4259 23 N 4.5578 8.8452 123.1480 52.8111 38.2245 175.5836 24 L 4.0010 8.9260 124.1868 58.3142 42.0349 178.8375 25 D 4.3566 8.1277 117.2956 56.7041 39.3243 178.1480 26 A 4.1342 7.9285 120.6083 54.5750 18.5046 179.3050 27 V 3.7686 7.3997 116.5466 64.5210 31.7537 176.3735 28 I 4.0582 7.1537 119.8116 59.5349 37.5388 173.0325 *49 P 4.3921 0.0000 0.0000 62.6788 33.4750 177.9217 50 L 4.3585 7.9665 124.1885 57.8053 42.6225 179.8631 51 D 4.4466 8.0950 116.9573 56.0243 39.8155 182.6341 52 N 4.4234 7.7146 112.4561 54.9291 38.7294 174.4989 53 Y 4.8282 7.4468 115.4711 55.9017 40.9479 174.8334 54 L 4.9672 8.4126 120.7213 53.0422 45.1013 176.5291 55 V 4.4675 8.0494 112.8480 59.3844 34.9344 175.6629 56 A 4.2889 8.3924 126.3073 51.5697 19.1564 176.8800 57 E 4.1855 8.4737 121.9323 55.1096 30.7727 175.5951 58 D 4.4857 8.6186 125.0035 53.7293 41.7144 175.1548 59 P 4.3172 0.0000 0.0000 65.9921 31.3659 177.7934 60 F 4.7604 7.7533 115.8765 59.0850 38.9038 176.1990 61 L 4.3482 8.0459 118.7798 55.5653 42.3167 176.8498 62 G 3.9828 7.8694 107.4014 43.3318 0.0000 171.2620 63 P 4.1909 0.0000 0.0000 63.9372 31.7562 177.3301 64 G 4.0767 8.6140 105.4689 45.6394 0.0000 173.5192 65 K 4.3269 8.8663 120.1482 56.1380 33.4664 175.5929 66 N 5.2960 8.5738 118.9016 51.6343 41.6720 173.7160 67 Q 4.4835 8.9419 123.9107 54.3543 32.2284 173.5516 68 K 4.8288 8.6884 128.8528 55.1524 33.5285 175.6002 69 L 4.6544 9.1418 129.1245 53.2307 43.5713 175.9619 70 T 4.5259 8.3402 121.5869 63.0422 68.5436 174.8519 71 L 4.5584 8.9484 127.9684 56.9589 42.6167 176.8171 72 F 4.9052 7.3186 110.9984 56.2390 40.9901 172.4045 73 K 5.1919 8.7324 118.0199 54.9698 34.9926 175.5438 74 E 4.7974 9.2157 122.5902 55.2000 33.6794 173.5953 75 I 5.1021 8.4163 126.6696 59.7298 39.3596 175.1433 76 R 4.7097 9.0501 125.6560 54.3820 34.1021 174.2145 77 N 5.2590 8.8143 120.1422 51.8357 40.3251 174.2589 78 V 4.3443 8.7263 125.1255 60.7843 33.8444 175.3315 79 K 4.5190 8.5405 127.0494 55.3242 33.4072 174.9669 80 P 4.1837 0.0000 0.0000 64.1811 31.9326 175.9217 81 D 4.4564 8.8587 119.1750 54.9232 40.1233 173.0025 82 T 5.6103 7.0943 107.0020 59.0762 70.9107 172.8914 *84 K 4.4360 8.3111 118.2915 56.4039 34.0530 175.1526 85 L 3.6882 8.8546 126.6197 55.4978 41.9322 176.9200 86 V 4.0970 8.7386 127.8861 65.1177 32.0244 176.7320 87 V 4.1386 7.3529 117.4920 59.7750 33.8579 175.2891 88 G 4.1227 7.9946 113.9014 44.4441 0.0000 172.9520 89 W 4.3805 7.6606 115.9559 55.8205 29.1466 176.5743 90 K 4.4898 8.6993 119.9473 55.7182 33.7010 178.3929 91 G 3.9248 8.7955 108.2368 48.4094 0.0000 175.7383 92 K 4.2527 8.3050 121.9193 59.2155 32.0911 178.2536 93 E 3.9762 8.2279 119.1189 58.9853 29.6671 178.2342 94 F 3.2443 8.1676 120.7626 61.3531 39.2212 176.8173 95 Y 4.0656 8.0460 116.6659 60.7877 37.5689 178.4817 96 R 2.5863 8.0827 119.7966 58.9366 30.1855 178.1459 97 E 3.8991 8.2984 119.4757 59.5523 29.6642 178.8496 98 T 3.8237 7.7148 115.7245 66.3272 68.3198 176.3300 99 W 3.7848 8.0193 128.8395 60.7442 30.7919 177.6062 100 T 3.9598 7.9650 114.1605 66.9928 68.3359 176.3986 101 R 4.0727 8.0501 119.5811 59.1085 30.0074 178.7919 102 F 3.9110 7.8842 116.2983 59.2591 38.6204 175.9241 *104 E 4.4158 7.9795 118.7823 56.2561 31.1910 176.5034 105 D 4.2514 7.6742 116.5665 57.1940 41.4185 177.4398 106 S 3.9567 7.5438 114.3643 60.4522 63.0516 175.1966 107 F 4.1410 7.9547 115.0904 56.5286 37.6551 172.9602 108 P 4.5081 0.0000 0.0000 62.0584 32.1909 176.2219 109 I 4.0544 8.1052 122.5638 60.5969 36.2190 176.0478 110 V 3.8608 8.1778 119.7488 62.9098 31.9520 176.0232 111 N 5.2401 7.6800 114.7134 50.7494 42.7777 173.9798 112 D 4.7491 8.6256 120.2709 54.7840 41.8167 175.7593 113 Q 5.2783 8.6676 119.8672 54.8430 32.2342 173.3615 114 E 4.7807 9.2463 121.1862 54.5605 32.6450 175.6781 115 V 4.3735 8.4448 126.4730 62.3096 33.2705 173.9855 *117 D 4.3384 8.3354 122.1082 54.0319 43.0462 173.8280 118 V 4.2652 7.5764 120.4828 60.9003 34.6155 173.7885 119 F 5.2318 9.2169 127.1415 55.6541 41.6426 174.5645 120 L 4.8573 9.2609 126.6476 54.4536 43.2660 175.2370 121 V 4.8326 9.1959 127.4611 61.1775 33.9567 174.3207 122 V 4.6630 8.9944 128.6131 61.4406 33.4398 174.3584 123 N 5.5258 9.2889 127.5847 51.1635 41.8622 173.4514 *125 R 4.5166 8.1804 116.4281 55.3430 31.0515 173.4051 126 P 5.0841 0.0000 0.0000 63.0778 31.9704 176.4753 127 T 4.4062 8.4204 111.7705 62.3425 69.5701 174.9334 128 R 4.6702 7.9018 120.9704 53.7373 31.7784 173.5791 129 P 4.5808 0.0000 0.0000 62.2559 32.9465 175.2432 130 N 4.2962 8.5641 111.7890 54.4041 35.8730 174.3185 131 R 4.6146 7.3144 114.5988 54.3531 32.1769 175.8035 132 C 4.5417 8.4062 116.6285 56.8732 31.0053 172.4918 133 Y 4.7473 7.5526 120.7966 56.0551 40.4207 173.4479 134 K 4.7412 9.3496 119.9228 54.7482 35.2853 175.9934 135 F 5.0073 8.7233 121.1742 57.0382 40.9421 174.6474 136 L 5.0855 9.1330 121.3626 53.0637 45.3203 175.4571 137 A 4.8916 8.5200 122.5896 51.0045 23.2320 174.7520 138 Q 4.9095 8.4016 118.4810 55.4512 33.1058 172.7732 139 H 5.7003 8.8365 119.6013 54.1887 32.6067 171.9611 140 A 4.5627 8.8280 118.3302 50.3019 22.5622 176.6335 141 L 4.9131 8.1570 123.6042 54.0677 41.3763 175.8988 *147 Y 4.3177 7.2710 117.1647 56.3227 38.8808 176.2924 148 V 4.0780 8.0855 119.3904 61.8243 32.2246 174.4092 149 P 4.4991 0.0000 0.0000 62.4927 32.0229 175.8433 150 H 4.4237 8.5026 117.1192 56.1603 29.5025 175.8105 151 D 4.5472 8.8802 123.2469 56.5422 41.1328 176.4647 152 V 4.9252 7.7410 117.8825 60.9295 34.3808 174.8160 153 I 4.6402 8.2030 119.5783 58.9905 41.4605 174.3565 154 R 4.6886 8.2206 121.0761 55.1198 31.4246 176.7417 155 I 3.6680 8.0673 123.8593 61.2105 37.3917 176.3472 156 V 4.0528 7.8397 124.5913 61.7248 33.4160 174.6458 157 E 3.7698 8.7594 128.4735 56.8825 26.4850 171.9071 158 P 4.6303 0.0000 0.0000 61.8789 34.2176 176.7378 159 S 4.7287 8.6804 114.6394 57.3141 63.8240 172.8743 160 W 4.6668 8.9482 127.0112 55.7399 29.8712 176.1131 161 V 3.9936 8.6437 126.2994 62.3449 31.9435 176.3977 162 G 4.0133 8.8170 116.8919 44.8357 0.0000 174.0968 163 S 4.2726 8.5558 113.4127 60.3913 62.8478 174.9640 164 N 4.4977 8.1720 117.1693 53.1178 37.5035 174.2893 165 N 4.2757 8.4451 116.5891 54.5847 36.7989 173.3632 166 E 5.0538 8.3068 114.6671 54.7421 33.8026 175.2990 167 Y 4.7393 9.1039 125.5000 56.0854 41.1040 174.5187 168 R 4.9771 8.3879 126.4368 54.7063 32.2432 175.5894 169 I 4.2467 8.6772 126.6577 59.1273 39.3203 175.4036 170 S 3.8006 8.7511 123.0651 58.3617 62.3754 173.6488 171 L 4.7203 8.8977 126.6689 55.1017 43.2858 176.8309 172 A 4.1453 7.7309 122.7098 52.3960 18.7510 177.0228 *188 T 4.3347 8.1024 111.8725 61.7483 70.0108 173.2378 189 N 4.7885 8.9738 119.9748 55.1257 39.9746 175.4328 190 S 4.6394 7.5579 111.1381 55.4511 67.7019 174.5075 191 F 2.9111 7.3272 123.4888 60.6632 38.9326 177.1505 192 E 3.6049 7.6873 117.9620 59.5056 29.3433 179.2351 193 Q 3.9204 7.8569 117.8526 58.6477 28.4607 178.5403 194 F 4.1809 7.4095 120.8255 61.0866 39.6337 177.0292 195 I 3.5228 7.3749 119.5353 64.0846 36.7064 178.0202 196 D 4.1764 8.1180 121.5187 57.7815 40.7007 178.2408 197 R 4.0270 7.8579 117.0452 55.9581 29.7354 179.3645 198 V 2.8722 6.8804 117.7696 60.8104 31.3559 177.1569 *203 F 4.9321 8.1953 111.8480 57.8314 38.5899 174.7714 204 Y 4.3286 8.9446 120.4145 57.9391 38.7752 175.5361 205 K 3.1546 8.5663 124.0948 54.5463 32.6301 174.1561 206 P 5.1427 0.0000 0.0000 61.7995 33.3270 175.1606 207 I 4.6660 8.5279 114.6819 59.2263 40.8152 174.4352 208 V 4.9420 8.0404 123.4674 61.4295 35.5195 173.2340 209 Y 5.2086 9.2245 124.2848 56.2782 41.0208 174.7287 210 I 4.9488 8.5252 123.5382 59.7991 40.9649 175.0395 211 G 4.2894 9.2127 112.5406 45.3710 0.0000 170.7982 212 T 5.0919 8.1145 108.6361 59.6392 72.1271 173.1867 213 D 4.7143 8.1668 119.8410 53.2912 40.0281 176.8457 214 S 4.1620 7.6333 113.1475 58.7397 62.7585 173.8240 215 A 4.4293 8.3823 127.1993 52.1824 19.0641 176.3039 216 E 4.8144 7.6520 113.4941 53.6923 33.1384 175.3972 217 E 4.2450 8.6968 121.1178 56.6020 30.5848 175.7194 218 E 4.6667 8.8697 124.9900 54.4758 33.7753 174.1542 219 E 4.8248 8.8245 125.1803 55.4845 31.2677 174.7325 220 I 4.9557 9.1829 127.8198 59.4643 40.7984 174.1046 221 L 4.9255 8.9933 128.8995 53.6677 43.1741 175.4639 222 L 4.9793 9.4818 127.2986 52.8681 45.1136 175.0677 223 E 4.7871 9.0623 123.4173 54.4123 32.6658 174.2820 224 V 4.6518 7.9969 127.1858 61.3349 33.5453 174.7086 225 S 5.2459 9.2365 122.8764 56.8920 68.1697 172.5976 226 L 5.0041 9.1063 121.4596 53.1438 44.3289 175.8333 227 V 4.7730 9.0071 124.9776 61.2934 33.4552 174.3921 228 F 4.9298 9.6757 128.0408 56.6021 40.7363 175.2088 229 K 4.9817 8.9734 123.6203 55.1662 33.2381 176.0850 230 V 4.5589 8.8104 126.0729 60.9122 34.4504 174.2789 231 K 4.5812 9.2005 130.5372 54.9549 32.8857 174.1679 232 E 4.4296 8.3659 128.7773 55.2088 30.5573 176.5936 233 F 4.7704 8.9629 126.8921 55.8173 38.1093 173.3970 234 A 4.6074 7.9753 121.2319 50.0311 19.1612 176.2247 235 P 4.3700 0.0000 0.0000 63.2834 32.3010 176.7495 236 D 4.5966 8.2948 119.8099 52.8052 39.4837 174.8699 237 A 4.5428 7.3339 122.5169 49.4404 22.5389 174.8224 238 P 4.3435 0.0000 0.0000 61.7705 32.6694 174.9730 239 L 4.3363 7.9264 120.2015 53.3874 42.8386 175.2693 240 F 5.2473 8.2421 124.2713 55.7594 41.5751 175.4128 241 T 4.1623 8.4125 120.5760 63.1017 69.0340 175.0861 242 G 3.8027 8.4701 115.2907 44.5132 0.0000 171.6247 243 P 4.4094 0.0000 0.0000 61.9481 32.3038 175.9717 244 A 3.9329 8.4220 123.6808 52.9861 19.3447 177.2211 245 Y 3.8076 7.5792 118.0335 58.5980 38.0633 170.2649 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 11 G 8.35 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 12 R 9.51 4.65 0.00 1.82 1.71 0.00 3.11 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 13 T 9.17 5.16 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 14 Y 9.08 4.80 0.00 3.16 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 15 V 8.44 4.70 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.95 0.00 0.00 16 Y 9.01 4.37 0.00 3.12 2.82 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 17 D 9.67 4.50 0.00 2.77 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 18 N 7.99 4.06 0.00 2.94 2.97 0.00 0.00 6.98 7.61 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 19 K 7.82 4.55 0.00 1.67 1.67 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.25 7.81 20 Y 8.44 5.21 0.00 2.85 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 Y 9.38 4.97 0.00 3.18 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 22 K 8.97 5.67 0.00 1.78 1.70 0.00 1.69 0.00 0.00 1.26 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 23 N 8.85 4.56 0.00 3.01 3.05 0.00 0.00 5.73 6.67 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 24 L 8.93 4.00 0.00 1.74 1.74 0.94 1.21 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 25 D 8.13 4.36 0.00 2.89 2.82 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 26 A 7.93 4.13 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 27 V 7.40 3.77 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.01 0.00 0.00 28 I 7.15 4.06 1.89 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 1.31 0.80 0.92 0.00 0.00 *49 P 0.00 4.39 0.00 2.23 1.98 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 50 L 7.97 4.36 0.00 1.75 1.77 0.94 1.07 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 51 D 8.10 4.45 0.00 2.69 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 52 N 7.71 4.42 0.00 2.52 2.12 0.00 0.00 6.81 7.34 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 53 Y 7.45 4.83 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.41 4.97 0.00 1.63 1.56 0.93 0.85 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 55 V 8.05 4.47 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 0.75 0.00 0.00 0.95 0.00 0.00 56 A 8.39 4.29 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 57 E 8.47 4.19 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 58 D 8.62 4.49 0.00 2.66 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 59 P 0.00 4.32 0.00 2.25 2.31 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.74 0.00 60 F 7.75 4.76 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 61 L 8.05 4.35 0.00 1.64 1.73 0.92 0.91 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 62 G 7.87 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 63 P 0.00 4.19 0.00 2.07 2.03 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 64 G 8.61 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.87 4.33 0.00 1.68 1.72 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.38 7.81 66 N 8.57 5.30 0.00 2.52 2.48 0.00 0.00 6.22 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 67 Q 8.94 4.48 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 68 K 8.69 4.83 0.00 1.71 1.66 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 69 L 9.14 4.65 0.00 1.72 1.65 1.07 0.54 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 70 T 8.34 4.53 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 1.18 0.00 0.00 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0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.50 7.81 80 P 0.00 4.18 0.00 1.99 2.12 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 81 D 8.86 4.46 0.00 2.87 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 82 T 7.09 5.61 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 1.17 0.00 0.00 *84 K 8.31 4.44 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.40 7.81 85 L 8.85 3.69 0.00 1.48 1.46 0.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.74 4.10 2.05 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 0.81 0.00 0.00 0.87 0.00 0.00 87 V 7.35 4.14 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 -0.90 0.00 0.00 88 G 7.99 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 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7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 155 I 8.07 3.67 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.30 0.77 0.00 0.00 156 V 7.84 4.05 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 0.81 0.00 0.00 0.87 0.00 0.00 157 E 8.76 3.77 0.00 2.11 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 2.25 2.24 0.00 158 P 0.00 4.63 0.00 1.80 1.90 0.00 3.78 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 159 S 8.68 4.73 0.00 4.10 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 0.00 160 W 8.95 4.67 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.64 3.99 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 162 G 8.82 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 0.00 0.00 0.00 163 S 8.56 4.27 0.00 4.02 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 0.00 164 N 8.17 4.50 0.00 2.87 2.99 0.00 0.00 6.15 8.04 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 0.00 165 N 8.45 4.28 0.00 2.89 2.71 0.00 0.00 6.62 7.18 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 0.00 166 E 8.31 5.05 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 167 Y 9.10 4.74 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 8.39 4.98 0.00 1.47 1.65 0.00 2.80 0.00 0.00 2.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 169 I 8.68 4.25 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.41 0.74 0.00 0.00 170 S 8.75 3.80 0.00 3.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.90 4.72 0.00 1.76 1.97 1.19 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 172 A 7.73 4.15 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 *188 T 8.10 4.33 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 1.43 0.00 0.00 189 N 8.97 4.79 0.00 2.83 2.99 0.00 0.00 6.75 7.63 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 0.00 190 S 7.56 4.64 0.00 3.87 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 0.00 191 F 7.33 2.91 0.00 2.28 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 0.00 192 E 7.69 3.60 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 193 Q 7.86 3.92 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 194 F 7.41 4.18 0.00 2.77 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 0.00 195 I 7.37 3.52 1.53 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.17 0.66 0.00 0.00 196 D 8.12 4.18 0.00 2.66 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 0.00 197 R 7.86 4.03 0.00 1.85 1.82 0.00 3.42 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 198 V 6.88 2.87 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 0.85 0.00 0.00 0.93 0.00 0.00 *203 F 8.20 4.93 0.00 3.27 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 0.00 204 Y 8.94 4.33 0.00 2.91 2.91 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 0.00 205 K 8.57 3.15 0.00 1.43 1.61 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 0.61 7.81 206 P 0.00 5.14 0.00 2.21 2.06 0.00 2.75 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 207 I 8.53 4.67 1.77 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 1.24 0.80 0.99 0.00 0.00 208 V 8.04 4.94 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 1.00 0.00 0.00 1.05 0.00 0.00 209 Y 9.22 5.21 0.00 2.94 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 0.00 210 I 8.53 4.95 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.83 0.96 0.00 0.00 211 G 9.21 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 0.00 0.00 0.00 0.00 212 T 8.11 5.09 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 0.75 0.00 0.00 213 D 8.17 4.71 0.00 2.82 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 0.00 214 S 7.63 4.16 0.00 3.48 3.42 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 0.00 215 A 8.38 4.43 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 0.00 216 E 7.65 4.81 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 217 E 8.70 4.24 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 218 E 8.87 4.67 0.00 1.58 1.57 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 2.04 1.47 0.00 219 E 8.82 4.82 0.00 2.15 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 2.38 2.47 0.00 220 I 9.18 4.96 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.07 0.00 0.00 221 L 8.99 4.93 0.00 1.61 1.59 0.94 0.94 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 0.00 222 L 9.48 4.98 0.00 1.51 1.45 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 223 E 9.06 4.79 0.00 1.92 1.68 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 2.09 2.15 0.00 224 V 8.00 4.65 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 0.87 0.00 0.00 0.57 0.00 0.00 225 S 9.24 5.25 0.00 3.74 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 0.00 226 L 9.11 5.00 0.00 1.74 1.51 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 227 V 9.01 4.77 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 0.33 0.00 0.00 0.79 0.00 0.00 228 F 9.68 4.93 0.00 2.99 3.02 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 0.00 229 K 8.97 4.98 0.00 1.91 1.90 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.82 1.85 7.81 230 V 8.81 4.56 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 0.91 0.00 0.00 1.10 0.00 0.00 231 K 9.20 4.58 0.00 1.86 1.76 0.00 2.07 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.81 1.22 7.81 232 E 8.37 4.43 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 233 F 8.96 4.77 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 0.00 234 A 7.98 4.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 P 0.00 4.37 0.00 2.19 2.09 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 236 D 8.29 4.60 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 A 7.33 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 P 0.00 4.34 0.00 1.65 1.88 0.00 3.47 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.64 0.00 239 L 7.93 4.34 0.00 1.51 1.54 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 240 F 8.24 5.25 0.00 2.95 2.60 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 0.00 241 T 8.41 4.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 242 G 8.47 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 0.00 243 P 0.00 4.41 0.00 2.20 2.07 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 244 A 8.42 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 Y 7.58 3.81 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.