NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7260 8.4444 120.6500 56.9690 31.1339 172.6685 1 M 4.0279 8.0165 122.1477 54.6134 35.7907 171.7813 2 K 4.9389 10.0835 128.4104 54.5809 35.7190 175.0397 3 I 5.1394 8.8851 125.5894 59.3906 40.5161 174.5323 4 A 5.1128 8.5583 127.9856 49.9665 22.3742 174.7805 5 I 4.9161 8.8250 121.3652 59.4429 40.3967 174.5060 6 F 5.2480 10.6475 129.5948 55.1138 42.4079 174.5117 7 G 4.0542 7.8047 113.3676 45.9087 0.0000 171.2329 8 T 3.2840 6.9693 114.9155 60.4283 68.1767 173.2937 9 V 3.7861 8.0204 123.8423 64.2037 31.4154 175.9167 10 G 3.7414 8.9358 114.2261 45.6389 0.0000 174.8052 11 A 3.8763 7.6231 123.5857 53.4312 18.6147 179.2771 12 G 4.1984 8.3054 104.6925 45.7227 0.0000 175.8340 13 K 3.9933 8.2934 122.2031 59.0004 32.0306 179.3089 14 S 4.1316 7.9412 114.2588 61.7933 63.0295 176.5935 15 T 3.8759 7.7788 119.1221 66.2211 68.3082 176.7489 16 I 3.7817 8.0924 122.2845 64.3082 37.1789 178.6519 17 S 4.1446 8.5223 115.4088 61.2695 62.8976 176.1913 18 A 3.9640 7.9016 124.1957 55.1007 18.2431 179.5024 19 E 3.9222 7.9494 116.8124 59.6194 29.5109 179.7267 20 I 3.6992 7.7381 119.7966 64.2178 37.0848 178.1278 21 S 4.0622 8.1589 114.0916 61.5489 61.9115 176.5478 22 K 3.9033 7.5748 118.8213 59.4860 31.8930 179.2234 23 K 4.0677 7.7485 117.0956 58.7243 32.0804 178.5000 24 L 4.2866 7.8004 116.3991 53.3402 42.8255 177.7538 25 G 3.8326 7.8713 106.3196 45.6868 0.0000 173.1401 26 Y 4.7919 7.2080 117.1206 57.2058 38.7435 175.4702 27 E 4.0967 8.9403 121.3256 56.6138 31.0775 175.6740 28 I 4.5872 7.8385 121.6895 59.7984 40.1058 175.3168 29 F 4.5558 8.4360 122.5536 55.8575 41.6572 174.1425 30 K 4.8557 8.4746 123.0471 54.2445 34.1706 176.7610 31 E 4.2428 8.7573 122.5885 55.4211 30.1979 175.2491 32 P 4.3614 0.0000 0.0000 63.1271 31.1819 175.1196 33 V 3.9016 7.7673 120.6312 64.3205 33.8828 177.2243 34 E 3.8692 8.0300 119.5395 59.4113 29.5542 178.6789 35 E 4.0007 7.9788 113.9951 57.9382 30.2105 176.1562 36 N 3.7856 7.6608 119.1465 53.1048 38.7811 173.2071 37 P 4.3539 0.0000 0.0000 63.9747 31.9379 176.7233 38 Y 4.6533 7.7086 116.7244 57.8806 38.5012 176.9174 39 F 4.0903 7.9116 123.0472 61.5252 39.6733 176.6349 40 E 4.1419 8.3299 118.2921 59.3679 29.6361 178.4667 41 Q 4.1401 8.1569 117.7219 59.0017 28.5831 177.8600 42 Y 3.9475 8.1013 119.9258 61.0758 39.0029 177.6791 43 Y 4.0111 7.2216 113.5813 59.4986 38.0392 177.3668 44 K 4.4099 7.4037 117.6562 57.2704 33.9114 176.7772 45 D 4.6204 7.6103 116.6129 52.6750 43.0108 174.1287 46 L 3.6177 8.0334 124.2551 57.1540 42.2021 179.5377 47 K 3.9597 8.1062 117.3898 59.5509 31.9583 177.6636 48 K 4.2483 7.9091 115.5566 58.0523 32.4971 178.1426 49 T 4.4384 7.9033 114.9780 63.5249 70.0732 176.2386 50 V 3.7268 7.9392 120.3812 66.3398 31.3245 177.7426 51 F 3.7633 8.2797 116.3662 60.5455 38.9294 177.4581 52 K 3.7167 8.0881 117.4536 59.7412 31.8616 178.8207 53 M 3.9963 8.2548 118.5521 58.6707 32.0510 178.2932 54 Q 4.0234 8.2883 118.4078 59.0294 28.9196 178.6979 55 I 3.7685 7.9543 120.8754 64.7222 37.2163 177.7226 56 Y 4.0780 8.1679 120.1206 61.2264 38.5484 178.2366 57 M 4.2268 8.2508 119.1024 58.2145 32.0690 178.7112 58 L 4.0936 8.3716 119.5522 58.1263 41.7138 179.6942 59 T 3.8338 7.9833 115.4502 66.4868 68.3354 176.5542 60 A 3.8824 7.7796 122.6382 55.1492 18.3932 179.6974 61 R 3.9419 8.2683 116.8650 59.7315 30.2295 179.2893 62 S 4.0859 8.0155 112.7000 61.1757 62.2177 176.3653 63 K 3.9830 8.3729 121.6059 59.5846 31.3275 179.3114 64 Q 3.9873 8.2876 118.4156 58.7435 28.5014 178.7599 65 L 3.8925 8.0950 121.3296 58.2191 41.9659 179.0612 66 K 3.8789 7.6297 116.7569 58.9610 32.0761 178.1947 67 Q 4.4313 7.6662 114.3635 56.4111 29.3619 176.2982 68 A 4.5381 7.0955 121.8889 53.0621 20.3632 179.7685 69 K 4.2619 7.6318 117.1455 59.4283 31.9420 176.9805 70 N 4.7371 7.8488 112.0884 52.7785 39.2722 174.9175 71 L 4.2508 8.0152 120.6673 54.3164 42.3625 176.9480 72 E 4.1266 8.9146 123.8982 58.6539 30.8150 176.4521 73 N 5.3167 8.1893 115.8351 50.0703 41.5367 174.0649 74 I 4.9930 8.1242 116.0574 59.3812 42.4479 174.1206 75 I 5.1784 8.6284 122.8061 59.9337 41.0075 174.2957 76 F 4.9940 9.8311 126.7445 55.7128 41.3735 174.5869 77 D 4.8553 8.6762 124.3648 53.9640 41.1143 172.5512 78 R 4.2594 8.9785 133.2212 56.0144 31.9202 176.6617 79 T 4.1716 8.7727 115.4164 61.5479 70.0275 173.9709 80 L 4.6020 8.3652 119.6041 55.2101 42.0026 177.0274 81 L 5.3039 7.7202 117.0278 53.8208 42.3591 176.8844 82 E 4.5470 8.2500 117.5674 56.4559 30.8668 177.6017 83 D 4.6710 8.5526 119.7424 57.2869 40.8058 176.5300 84 P 4.3921 0.0000 0.0000 65.7624 31.1984 178.5434 85 I 3.6758 7.8689 118.6028 64.5650 37.0322 178.4945 86 F 4.1820 8.1589 118.5271 60.5753 38.7195 177.5148 87 M 3.9787 7.9828 117.6973 58.4002 32.0926 178.0582 88 K 4.1259 8.4974 120.0742 59.1413 32.2754 179.0700 89 V 3.4500 7.7315 118.7346 66.1753 31.4581 177.8287 90 N 4.4353 8.0687 115.5807 56.2533 38.2448 176.9711 91 Y 4.2478 7.8735 121.0349 60.9837 38.7446 177.5414 92 D 4.1368 7.8617 118.1003 56.4904 40.8551 177.8389 93 L 4.4495 7.2439 116.6808 53.3856 42.0767 175.8743 94 N 4.2764 7.9607 115.0599 54.6080 36.3888 175.0805 95 N 4.6375 8.8741 116.4361 54.1581 39.3414 175.9444 96 V 4.4708 7.5264 117.4032 60.1035 34.5071 175.2835 97 D 4.8618 8.5931 127.0964 52.6301 41.9180 177.0322 98 Q 4.0272 8.6313 119.0919 59.6086 28.9386 177.8245 99 T 3.9092 7.9825 116.2562 67.0569 68.7293 176.1799 100 D 4.5260 8.8431 120.8174 57.3408 40.7786 178.3382 101 Y 3.9885 7.8501 119.8732 60.4215 38.7849 176.9097 102 N 4.2569 8.4940 118.3239 57.0056 39.0598 176.6359 103 T 3.9426 8.2617 117.4133 66.9799 68.5359 175.7777 104 Y 4.0888 7.8718 120.5902 60.8234 38.7813 178.0094 105 I 3.5351 7.9804 121.1066 64.2771 37.0971 177.8376 106 D 4.2848 8.1461 118.7333 57.3478 41.0292 177.9510 107 F 4.0834 8.2606 121.0232 61.5967 39.4684 176.4615 108 Y 3.4212 8.1600 119.3243 60.5951 38.3254 177.7204 109 N 4.3785 8.2313 116.6373 56.1809 38.7862 176.7085 110 N 4.5020 8.1393 116.3392 54.9643 38.8996 175.5661 111 V 3.9006 7.3902 117.9116 64.0747 32.8514 177.5461 112 V 3.2560 6.5545 118.6037 65.9521 31.7797 177.7309 113 L 3.9575 7.6945 116.7353 56.8169 42.1324 177.7356 114 E 4.2629 7.3912 120.4465 55.7911 28.4267 177.2161 115 N 4.8599 7.4456 113.8416 52.5525 37.8468 177.5339 116 L 4.2306 7.2734 118.2757 53.4361 41.4523 174.4626 *123 L 3.7349 7.8502 120.5073 54.4256 42.3702 175.8437 124 S 4.5489 8.0528 120.5400 56.2085 65.0470 174.0857 125 F 4.5433 8.3012 122.8344 56.9223 39.7970 175.4812 126 D 4.6502 8.7104 122.8901 57.0771 41.5596 176.8592 127 I 4.4790 7.4228 115.9297 59.9438 41.6872 173.2153 128 V 4.6548 8.7114 128.8913 61.1599 34.2550 174.4188 129 I 4.9257 8.7341 130.4854 60.7519 38.4180 174.7569 130 Y 5.5050 9.3646 130.7735 57.1051 39.6492 174.5898 131 L 4.7297 9.1112 129.4718 53.2728 40.8664 175.3591 132 R 3.4968 7.6414 123.7797 56.0442 31.0900 175.4020 133 V 4.8826 7.9286 118.1871 59.4782 36.1864 175.1809 134 S 4.3872 8.9937 117.3157 58.2002 64.1146 175.6637 135 T 3.8655 8.5689 118.5751 66.7487 68.2038 176.8426 136 K 3.8728 8.0621 119.8041 59.9391 32.1666 179.1574 137 T 3.8056 7.7066 114.9394 66.5222 68.2829 176.4335 138 A 4.0827 7.7835 123.7449 54.7090 18.4441 179.3580 139 I 3.3476 8.0699 118.8501 64.7975 37.1215 178.7370 140 S 4.1044 8.0983 114.6006 61.5647 62.7440 176.7048 141 R 3.9088 7.9998 121.3537 58.5259 29.7263 179.0582 142 I 3.5494 7.7303 120.3920 64.2937 36.8417 178.4933 143 K 3.9594 7.7685 118.2718 58.7291 31.9110 178.6844 144 K 4.3353 7.6465 117.4775 57.6461 33.4431 177.5355 145 R 4.4278 8.0084 116.3108 55.9998 32.4587 175.8584 146 G 3.8368 7.6857 106.2109 44.9012 0.0000 172.6040 147 R 4.4891 8.9724 118.6211 54.7963 31.4268 178.3362 148 S 4.1059 8.7584 116.9444 61.8504 62.7101 176.7725 149 E 4.0049 8.2868 121.4504 59.0705 29.0216 178.4926 150 E 3.3421 7.9790 117.4807 57.9038 29.5738 178.2602 151 L 4.3328 7.5156 117.8676 56.0232 42.0040 177.8181 152 L 4.1002 7.7331 119.1118 56.5619 41.8630 177.2453 153 I 4.1598 7.4402 111.1741 59.0292 39.2993 175.1163 154 G 4.0577 7.9296 109.2171 43.8078 0.0000 174.6213 155 E 4.2099 8.7791 118.4845 59.4580 28.8112 179.3733 156 E 3.9345 8.3177 118.2616 59.5869 29.4597 178.4621 157 Y 3.8526 7.5712 119.1917 60.7285 38.7687 178.5836 158 W 4.7940 7.7111 119.0105 59.5550 29.1034 178.4807 159 E 4.0152 8.5881 119.0562 59.8427 28.9981 179.3888 160 T 3.8021 8.2521 116.1902 66.3807 68.4378 176.5587 161 L 3.7603 8.2750 122.6041 58.1098 42.2445 178.5085 162 N 4.3738 8.4099 117.1590 56.5001 38.8766 176.5841 163 K 3.9443 8.3513 121.2641 59.8473 32.3394 178.5730 164 N 4.4911 8.2410 116.2679 55.9815 38.3749 177.2595 165 Y 3.6665 8.0281 118.7617 60.9240 37.9638 177.5515 166 E 4.1963 8.3340 120.1199 59.3456 29.6170 178.2302 167 E 3.9278 8.2935 119.2581 59.3486 29.7054 178.2275 168 F 3.9009 8.3575 120.4861 61.8075 39.1718 176.5754 169 Y 3.7586 8.1034 117.1923 60.6445 38.5665 178.0067 170 K 3.8479 8.0256 118.4350 59.4413 32.2298 179.1261 171 Q 3.8741 8.0879 117.5769 56.7158 29.7843 175.9544 172 N 3.9361 8.4080 118.1487 54.1127 37.9593 175.4657 173 V 3.1851 6.9162 117.8274 65.7464 30.7806 175.6502 174 Y 4.4285 6.9543 115.1533 56.9609 37.7314 175.1126 175 D 4.5767 7.6955 117.9651 54.7584 39.1143 174.1621 176 F 4.4612 7.1443 116.5942 57.6811 39.3962 174.7647 177 P 4.7049 0.0000 0.0000 62.1832 30.4630 174.6725 178 F 5.1332 8.5012 126.0463 58.1626 40.4080 174.4905 179 F 4.9827 9.7733 124.6522 56.5817 42.2153 173.7291 180 V 4.2548 8.1615 126.6832 62.3920 32.5260 175.2670 181 V 4.1396 8.7683 126.9571 60.7517 34.7507 173.7548 182 D 4.5752 8.6748 127.1834 54.4921 41.2448 175.6707 183 A 4.5344 8.5109 126.9480 52.5586 18.3215 178.1049 184 E 3.9493 8.4735 116.2871 58.6910 29.7446 177.3082 185 L 4.1804 7.1664 118.5403 54.0351 42.5377 176.0737 186 D 4.4560 8.3774 119.0673 54.1508 41.9830 176.7581 187 V 3.6150 8.7303 120.2613 64.9709 31.5814 178.6623 188 K 3.8299 8.3872 117.1557 60.1205 31.7792 179.2921 189 T 3.9206 7.9187 115.5389 66.6460 68.4440 176.7735 190 Q 4.0222 8.1170 119.4816 59.1398 28.7438 179.0464 191 I 3.7115 8.0037 120.6721 64.5707 37.3276 178.0263 192 E 3.9757 8.2082 119.2272 59.7805 29.3278 179.7415 193 L 4.1217 8.2238 118.7234 57.7252 41.6296 179.6473 194 I 3.7896 8.0221 119.7564 64.7926 36.6183 178.3475 195 M 4.0454 8.6244 119.7639 58.6531 31.5635 178.7024 196 N 4.4059 7.9247 115.2229 55.8799 38.6902 177.2808 197 K 3.8551 7.7021 120.5719 59.4625 32.6457 178.5437 198 L 4.0647 8.0129 119.3998 57.7506 41.3061 178.3279 199 N 4.6643 7.6019 114.8559 52.9707 39.2715 175.2136 200 S 4.2416 7.9314 121.1778 59.1073 63.2314 174.8396 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 H 8.44 4.73 0.00 3.16 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.02 4.03 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.87 0.00 2 K 10.08 4.94 0.00 1.79 1.77 0.00 1.56 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.23 7.81 3 I 8.89 5.14 2.02 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 1.25 1.03 0.98 0.00 0.00 4 A 8.56 5.11 -0.05 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 5 I 8.82 4.92 1.95 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 1.20 0.86 1.00 0.00 0.00 6 F 10.65 5.25 0.00 3.19 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 7 G 7.80 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 8 T 6.97 3.28 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 1.08 0.00 0.00 9 V 8.02 3.79 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.49 0.00 0.00 10 G 8.94 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 0.00 0.00 0.00 11 A 7.62 3.88 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 12 G 8.31 4.20 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 0.00 13 K 8.29 3.99 0.00 1.83 2.00 0.00 1.91 0.00 0.00 2.04 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.48 7.81 14 S 7.94 4.13 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.78 3.88 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 1.20 0.00 0.00 16 I 8.09 3.78 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 0.96 0.00 0.00 17 S 8.52 4.14 0.00 4.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.90 3.96 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 19 E 7.95 3.92 0.00 2.06 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 2.32 2.49 0.00 20 I 7.74 3.70 1.90 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 1.43 0.76 0.94 0.00 0.00 21 S 8.16 4.06 0.00 3.99 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 22 K 7.57 3.90 0.00 1.92 1.82 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 23 K 7.75 4.07 0.00 1.85 1.81 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.64 7.81 24 L 7.80 4.29 0.00 1.00 0.59 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.87 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 26 Y 7.21 4.79 0.00 2.90 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 27 E 8.94 4.10 0.00 1.75 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 0.00 2.36 2.14 0.00 28 I 7.84 4.59 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.49 0.92 0.00 0.00 29 F 8.44 4.56 0.00 1.95 2.39 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 30 K 8.47 4.86 0.00 1.61 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.40 7.81 31 E 8.76 4.24 0.00 2.01 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 2.43 2.42 0.00 32 P 0.00 4.36 0.00 2.34 2.18 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 33 V 7.77 3.90 1.84 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 0.12 0.00 0.00 0.86 0.00 0.00 34 E 8.03 3.87 0.00 1.94 1.95 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 2.23 2.19 0.00 35 E 7.98 4.00 0.00 2.11 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 2.29 2.36 0.00 36 N 7.66 3.79 0.00 2.80 2.92 0.00 0.00 6.79 7.59 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 37 P 0.00 4.35 0.00 1.68 1.87 0.00 2.47 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.65 0.00 38 Y 7.71 4.65 0.00 3.04 2.96 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 39 F 7.91 4.09 0.00 3.21 3.15 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 40 E 8.33 4.14 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 41 Q 8.16 4.14 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 42 Y 8.10 3.95 0.00 2.82 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 Y 7.22 4.01 0.00 2.92 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 44 K 7.40 4.41 0.00 1.91 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.61 7.81 45 D 7.61 4.62 0.00 2.58 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 46 L 8.03 3.62 0.00 1.52 1.50 0.60 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.11 3.96 0.00 1.68 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.69 7.81 48 K 7.91 4.25 0.00 1.73 1.84 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.56 7.81 49 T 7.90 4.44 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 50 V 7.94 3.73 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 1.16 0.00 0.00 1.09 0.00 0.00 51 F 8.28 3.76 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.09 3.72 0.00 1.18 0.74 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.38 7.81 53 M 8.25 4.00 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.51 0.00 54 Q 8.29 4.02 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.19 0.00 55 I 7.95 3.77 2.08 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 1.42 0.77 1.00 0.00 0.00 56 Y 8.17 4.08 0.00 3.47 3.28 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 57 M 8.25 4.23 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.96 0.00 58 L 8.37 4.09 0.00 1.97 1.83 1.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.98 3.83 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 1.15 0.00 0.00 60 A 7.78 3.88 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 61 R 8.27 3.94 0.00 2.24 2.04 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 62 S 8.02 4.09 0.00 3.95 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 63 K 8.37 3.98 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.59 7.81 64 Q 8.29 3.99 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 65 L 8.09 3.89 0.00 1.70 1.79 0.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.63 3.88 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 67 Q 7.67 4.43 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 68 A 7.10 4.54 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 69 K 7.63 4.26 0.00 1.72 1.81 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.59 7.81 70 N 7.85 4.74 0.00 2.69 2.82 0.00 0.00 6.93 7.85 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 71 L 8.02 4.25 0.00 1.79 1.68 1.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.91 4.13 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 73 N 8.19 5.32 0.00 2.23 1.42 0.00 0.00 7.03 7.45 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 74 I 8.12 4.99 2.31 0.00 0.00 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 1.44 0.93 1.22 0.00 0.00 75 I 8.63 5.18 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.99 0.00 0.00 76 F 9.83 4.99 0.00 3.00 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 77 D 8.68 4.86 0.00 2.75 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 78 R 8.98 4.26 0.00 2.17 2.15 0.00 3.55 0.00 0.00 3.72 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 79 T 8.77 4.17 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 0.68 0.00 0.00 80 L 8.37 4.60 0.00 1.63 1.75 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.72 5.30 0.00 1.84 1.54 0.36 0.68 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 82 E 8.25 4.55 0.00 2.20 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 2.00 2.46 0.00 83 D 8.55 4.67 0.00 2.99 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 84 P 0.00 4.39 0.00 2.20 2.03 0.00 3.74 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 1.65 0.90 0.00 85 I 7.87 3.68 1.58 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.51 0.00 0.00 86 F 8.16 4.18 0.00 3.27 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 87 M 7.98 3.98 0.00 1.76 1.33 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.01 0.00 88 K 8.50 4.13 0.00 2.13 2.15 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.50 7.81 89 V 7.73 3.45 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 0.44 0.00 0.00 0.76 0.00 0.00 90 N 8.07 4.44 0.00 2.99 2.93 0.00 0.00 6.76 7.95 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 91 Y 7.87 4.25 0.00 2.89 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 92 D 7.86 4.14 0.00 2.75 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 93 L 7.24 4.45 0.00 1.59 1.67 0.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.96 4.28 0.00 2.85 2.91 0.00 0.00 6.89 7.51 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 95 N 8.87 4.64 0.00 2.85 2.87 0.00 0.00 6.51 8.05 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 96 V 7.53 4.47 2.20 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 0.94 0.00 0.00 1.00 0.00 0.00 97 D 8.59 4.86 0.00 3.07 2.88 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 98 Q 8.63 4.03 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 99 T 7.98 3.91 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 1.24 0.00 0.00 100 D 8.84 4.53 0.00 3.00 3.21 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 0.00 101 Y 7.85 3.99 0.00 2.38 2.44 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 0.00 102 N 8.49 4.26 0.00 2.85 2.99 0.00 0.00 7.24 7.74 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 0.00 103 T 8.26 3.94 4.59 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.72 0.00 0.00 112 V 6.55 3.26 1.03 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 0.33 0.00 0.00 0.42 0.00 0.00 113 L 7.69 3.96 0.00 1.81 1.70 1.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.39 4.26 0.00 2.02 1.84 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 2.25 2.42 0.00 115 N 7.45 4.86 0.00 2.69 2.73 0.00 0.00 6.21 7.79 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 0.00 116 L 7.27 4.23 0.00 1.59 1.61 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *123 L 7.85 3.73 0.00 1.34 1.34 0.53 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.05 4.55 0.00 3.94 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 0.00 125 F 8.30 4.54 0.00 2.91 3.15 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 0.00 126 D 8.71 4.65 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.42 4.48 1.90 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 1.33 1.19 0.95 0.00 0.00 128 V 8.71 4.65 1.55 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 0.75 0.00 0.00 0.26 0.00 0.00 129 I 8.73 4.93 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 1.10 0.00 0.00 130 Y 9.36 5.50 0.00 3.18 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 0.00 131 L 9.11 4.73 0.00 1.55 1.56 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.64 3.50 0.00 0.78 1.33 0.00 2.82 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 133 V 7.93 4.88 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 0.69 0.00 0.00 0.84 0.00 0.00 134 S 8.99 4.39 0.00 4.00 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 0.00 135 T 8.57 3.87 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 1.39 0.00 0.00 136 K 8.06 3.87 0.00 1.75 1.86 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 137 T 7.71 3.81 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 138 A 7.78 4.08 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 0.00 139 I 8.07 3.35 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.89 0.00 0.00 140 S 8.10 4.10 0.00 4.02 4.18 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 0.00 141 R 8.00 3.91 0.00 2.04 1.94 0.00 3.20 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 142 I 7.73 3.55 1.79 0.00 0.00 -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 1.12 0.55 0.70 0.00 0.00 143 K 7.77 3.96 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 144 K 7.65 4.34 0.00 1.83 1.90 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.42 7.81 145 R 8.01 4.43 0.00 1.90 1.92 0.00 3.13 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 146 G 7.69 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 0.00 0.00 0.00 147 R 8.97 4.49 0.00 2.03 2.25 0.00 2.99 0.00 0.00 3.61 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 148 S 8.76 4.11 0.00 4.05 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.29 4.00 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 150 E 7.98 3.34 0.00 1.93 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 2.33 2.28 0.00 151 L 7.52 4.33 0.00 1.75 1.72 0.91 0.96 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 0.00 152 L 7.73 4.10 0.00 1.80 1.72 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.44 4.16 1.63 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.02 0.70 0.00 0.00 154 G 7.93 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 0.00 0.00 0.00 155 E 8.78 4.21 0.00 2.07 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 0.00 2.48 2.42 0.00 156 E 8.32 3.93 0.00 2.04 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 2.40 2.45 0.00 157 Y 7.57 3.85 0.00 2.71 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 0.00 0.00 0.00 0.00 158 W 7.71 4.79 0.00 3.53 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 0.00 159 E 8.59 4.02 0.00 2.05 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 2.37 2.43 0.00 160 T 8.25 3.80 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 1.11 0.00 0.00 161 L 8.27 3.76 0.00 1.41 1.72 0.30 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.41 4.37 0.00 3.12 2.86 0.00 0.00 6.90 5.60 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 0.00 163 K 8.35 3.94 0.00 1.93 2.01 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 164 N 8.24 4.49 0.00 2.95 2.80 0.00 0.00 7.10 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 0.00 165 Y 8.03 3.67 0.00 3.27 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 0.00 166 E 8.33 4.20 0.00 2.29 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 2.43 2.54 0.00 167 E 8.29 3.93 0.00 2.36 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 2.33 2.38 0.00 168 F 8.36 3.90 0.00 3.26 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 0.00 169 Y 8.10 3.76 0.00 2.44 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 0.00 170 K 8.03 3.85 0.00 2.02 1.81 0.00 2.03 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.59 7.81 171 Q 8.09 3.87 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 172 N 8.41 3.94 0.00 2.90 2.62 0.00 0.00 6.80 7.55 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 0.00 173 V 6.92 3.19 1.24 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 -0.38 0.00 0.00 0.57 0.00 0.00 174 Y 6.95 4.43 0.00 2.13 2.68 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 0.00 175 D 7.70 4.58 0.00 2.81 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 0.00 176 F 7.14 4.46 0.00 2.31 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 0.00 0.00 0.00 0.00 177 P 0.00 4.70 0.00 2.25 2.28 0.00 3.41 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 178 F 8.50 5.13 0.00 3.21 3.32 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 0.00 179 F 9.77 4.98 0.00 3.17 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 0.00 180 V 8.16 4.25 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 0.42 0.00 0.00 0.88 0.00 0.00 181 V 8.77 4.14 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 0.87 0.00 0.00 0.98 0.00 0.00 182 D 8.67 4.58 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.53 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 0.00 184 E 8.47 3.95 0.00 2.06 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 0.00 2.33 2.37 0.00 185 L 7.17 4.18 0.00 1.63 1.62 0.95 0.98 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 0.00 186 D 8.38 4.46 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 8.73 3.61 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.92 0.00 0.00 188 K 8.39 3.83 0.00 1.79 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.55 7.81 189 T 7.92 3.92 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 1.22 0.00 0.00 190 Q 8.12 4.02 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 191 I 8.00 3.71 2.03 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 1.68 0.93 0.92 0.00 0.00 192 E 8.21 3.98 0.00 2.27 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 2.35 2.62 0.00 193 L 8.22 4.12 0.00 1.94 1.92 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.02 3.79 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.85 0.97 0.00 0.00 195 M 8.62 4.05 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.90 0.00 196 N 7.92 4.41 0.00 2.95 2.90 0.00 0.00 7.02 7.10 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 0.00 197 K 7.70 3.86 0.00 1.27 1.58 0.00 1.41 0.00 0.00 1.08 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.93 7.81 198 L 8.01 4.06 0.00 1.86 1.76 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 199 N 7.60 4.66 0.00 2.89 2.83 0.00 0.00 6.83 7.45 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 0.00 200 S 7.93 4.24 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.