NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4257 8.3044 118.1966 54.5533 32.7954 174.6260 2 Q 3.9836 8.4573 121.8904 56.0013 30.0655 173.2060 3 A 5.3653 9.4533 128.8520 50.2593 22.4900 175.0512 4 I 4.6975 8.7265 121.2663 59.3959 41.2691 174.3757 5 K 4.8703 9.5373 129.3613 55.3132 33.6596 174.4676 6 C 5.0961 9.4644 128.7818 57.5051 34.3280 172.3889 7 V 4.8582 8.0232 125.9278 61.1106 32.4549 174.0833 8 V 4.8418 8.9175 128.1813 61.5319 33.4084 174.9453 9 V 4.5572 9.3663 120.2458 57.6557 35.8992 174.8916 10 G 3.6353 6.6260 109.6208 43.6657 0.0000 172.0883 11 D 4.8138 8.2458 120.1258 53.9044 41.4477 176.7674 12 G 3.7490 8.6773 109.6639 47.4860 0.0000 173.5547 13 A 3.8350 8.8610 124.2497 52.6377 16.0075 179.1910 14 V 3.8013 7.3908 110.6571 63.2447 31.9730 177.3127 15 G 4.2705 8.3847 109.3416 45.6556 0.0000 175.9881 16 K 3.9314 8.4696 121.0314 59.5675 32.0130 179.1930 17 T 3.8553 7.7853 115.3960 66.8056 68.4087 176.4846 18 C 3.8104 7.9127 118.1698 62.4953 28.1624 175.7082 19 L 4.0041 8.1958 122.1858 58.2354 41.6126 179.1501 20 L 3.8879 7.7625 118.7987 57.8439 41.4308 179.6534 21 I 3.4786 7.5246 119.8490 64.2237 37.1311 178.4563 22 S 4.6984 8.1596 115.5868 60.9288 61.9833 175.6679 23 Y 4.0790 7.7182 121.4499 61.0486 38.7164 177.7459 24 T 3.7003 7.9305 109.5688 63.7176 69.1127 175.6519 25 T 4.2914 7.8535 110.3346 60.3259 69.9094 174.3013 26 N 4.3085 7.9766 118.1034 54.0403 38.2202 173.1205 27 A 4.7060 7.6362 118.1127 49.7389 22.2623 175.9789 28 F 4.6384 8.8022 124.4026 56.7686 40.3155 173.1846 29 P 4.0044 0.0000 0.0000 65.0751 31.5301 178.6728 30 G 4.2464 7.8699 110.5481 46.5687 0.0000 174.0818 31 E 4.3621 8.9085 120.0008 58.0174 30.5340 176.6412 *32 Y 4.5716 7.5133 114.3706 54.8053 40.4490 176.2915 33 I 4.3071 8.1781 125.5384 57.6764 38.5035 173.8421 34 P 4.1763 0.0000 0.0000 63.5043 31.6381 176.5726 35 T 3.9940 8.3087 112.5230 63.3069 69.6677 175.9059 36 V 3.2673 7.3628 119.9966 62.0748 31.4470 175.9492 37 F 4.7032 8.0525 120.4638 56.2828 38.9407 174.7966 38 D 4.5291 8.3473 124.1127 52.9262 43.9090 173.8323 39 N 4.9631 7.9019 117.7536 51.6791 40.1676 174.7615 40 Y 4.5807 8.9650 122.4744 56.5876 41.0820 174.7557 41 S 5.2191 8.4672 113.8588 57.0015 65.8935 173.3035 42 A 4.8097 9.0388 124.6439 50.0688 22.5858 174.3496 43 N 5.4492 8.6370 116.4326 51.4426 42.0613 174.1870 44 V 4.4799 8.6026 122.5759 61.0533 35.2827 173.9969 45 M 4.6458 8.7395 127.5527 55.2535 33.0587 175.4298 46 V 4.2073 9.0101 128.8093 62.5646 33.8747 175.6944 47 D 4.2955 9.7637 127.8870 54.4340 36.9326 170.5663 48 G 4.0101 8.5283 106.4910 47.0287 0.0000 174.1795 49 K 4.8418 7.7553 122.7194 52.0795 35.6378 177.6405 50 P 4.8762 0.0000 0.0000 62.1273 32.4887 175.7724 51 V 4.5601 8.7164 122.5835 61.1002 34.8183 173.4722 52 N 5.2074 9.0178 126.9340 52.7149 40.6168 173.4470 53 L 4.8976 9.0483 127.3682 53.4674 43.7003 175.8071 54 G 4.3951 9.4392 113.1784 45.1269 0.0000 172.1732 55 L 5.4574 8.9526 126.8602 53.0375 44.0688 175.8387 56 W 4.9779 9.7315 126.0374 55.1850 30.4335 175.7341 57 D 5.1775 8.9272 125.8930 54.2107 41.4096 175.3230 58 T 4.7647 8.2005 112.7155 59.6889 72.9733 172.5157 59 A 3.8756 7.4336 125.2379 51.0269 19.0932 177.9081 60 G 4.2474 8.4684 110.6139 45.5860 0.0000 174.0016 61 Q 4.4403 7.9288 119.8919 55.1180 29.8195 176.7839 62 E 4.4664 8.8452 118.1315 58.9006 29.5869 179.0551 63 D 4.3034 8.2331 118.0956 56.7295 41.0793 176.4862 64 Y 4.5785 8.1235 115.6566 57.6902 38.0654 177.2791 65 D 4.3195 8.1029 123.5230 57.1972 41.1410 178.9523 66 R 4.1115 7.8715 116.7446 58.4741 31.0923 178.3454 67 L 4.1627 7.9054 117.6230 57.4758 41.6723 179.0329 68 R 3.8244 8.6329 119.4210 58.8813 30.2708 176.5163 69 P 2.9700 0.0000 0.0000 63.8061 30.8674 177.0929 70 L 4.2482 7.5317 118.1424 56.2268 41.8316 177.8007 71 S 4.6329 7.7518 114.3560 59.1442 63.5906 175.0913 72 Y 4.5634 7.6549 119.9961 58.6661 37.6720 173.8460 73 P 4.2111 0.0000 0.0000 65.0497 31.7038 176.3621 74 Q 3.6515 8.8521 119.5603 56.0208 25.4247 170.5085 75 T 3.8181 7.3887 115.5293 64.6527 68.7939 174.4863 76 D 4.7423 8.5537 126.4569 56.3288 42.1425 177.4925 77 V 4.6495 7.2387 116.1376 60.4405 34.8640 173.2848 78 F 5.0951 9.3359 122.6381 55.9283 41.6193 174.6657 79 L 5.0709 8.6959 122.8575 53.2128 43.8951 175.5127 80 I 4.5568 8.5895 126.0545 60.4909 38.2333 174.7469 81 C 5.4482 9.0575 125.6927 58.0137 30.7634 173.0382 82 F 5.0574 8.7105 116.7314 55.2007 41.8335 173.2767 83 S 5.0631 8.9142 115.3275 56.7649 63.1177 175.2793 84 L 4.1347 9.0076 127.7435 57.1696 41.5939 178.8999 85 V 4.4015 7.5961 110.2199 60.8189 32.0039 176.0188 86 S 4.6060 8.1472 116.5269 54.8483 62.7802 172.2511 87 P 4.4204 0.0000 0.0000 65.4609 31.1554 177.8810 88 A 4.1041 8.1191 119.3013 55.1584 18.1488 179.6671 89 S 4.8972 7.9477 112.8499 60.9720 63.5082 176.3304 90 F 4.1746 8.2131 124.0480 61.1467 39.2725 176.6724 91 E 3.7362 8.4219 118.9781 59.1526 29.3853 178.1948 92 N 4.4657 8.2758 115.7371 54.9526 38.5484 177.3611 93 V 3.8580 7.5920 120.6973 66.0781 31.4171 178.0136 94 R 4.0174 7.6476 113.5602 59.0590 29.8141 178.0522 95 A 4.0931 7.9635 120.5878 53.5729 18.6374 177.3160 96 K 4.0475 7.9422 115.8777 57.5194 34.2559 178.3798 97 W 4.3874 7.8739 118.0017 59.8303 29.1490 177.8658 98 Y 4.2167 8.2634 119.4305 60.4464 38.2975 176.2947 99 P 3.8476 0.0000 0.0000 65.2839 31.2699 178.2465 100 E 3.8651 8.1573 117.9970 59.2709 29.5984 178.8493 101 V 3.1583 7.9119 118.4669 66.1890 31.2678 178.2950 102 R 3.8807 7.6043 116.1297 59.1920 29.8477 178.1523 103 H 4.1343 7.9529 117.6744 59.1792 29.8635 176.3514 104 H 4.7437 7.8326 116.7371 56.5080 30.6596 175.2896 105 C 4.8340 8.5087 118.9603 56.4589 28.4253 172.4207 106 P 4.3315 0.0000 0.0000 64.9482 31.3037 177.0486 107 H 4.9126 7.9080 111.0501 55.4435 30.0283 173.7937 108 T 4.2777 7.4824 116.2783 62.5307 69.0642 172.9877 109 P 4.4326 0.0000 0.0000 63.1822 32.8326 175.0332 110 I 4.9994 8.4689 123.7664 59.5796 40.2803 174.1972 111 L 5.0286 8.9977 127.3417 53.0034 44.1161 175.1060 112 L 5.0698 8.8161 126.1401 53.8127 44.0502 175.1495 113 V 4.5365 9.1749 126.6846 61.0037 34.3432 174.2515 114 G 3.4491 8.6980 116.8300 45.1723 0.0000 172.7877 115 T 4.8544 8.1921 115.6051 59.5063 72.5605 173.9962 116 K 4.3159 8.4620 117.1602 57.0605 29.6231 177.9762 117 L 3.9071 7.8153 122.9517 58.1245 42.1896 178.5179 118 D 4.4521 8.0253 116.6027 55.3886 39.6111 176.7805 119 L 4.3796 7.9077 119.2907 55.1820 42.3662 178.5540 120 R 3.9140 7.8501 119.4009 58.5792 30.0592 176.6334 121 D 4.7300 7.8384 114.3438 52.8432 40.0190 176.0208 122 D 4.3843 7.9755 121.2528 54.0503 41.9306 176.1800 123 K 3.8507 8.7484 128.1467 60.0806 32.3349 178.3495 124 D 4.3596 8.0634 118.3440 57.5052 40.7212 178.8564 125 T 3.9135 8.2422 116.4558 66.6096 68.4389 176.8044 126 I 3.7212 7.9485 121.8409 64.3883 37.1308 178.3508 127 E 3.9429 8.3878 119.4781 59.3533 29.0250 179.2546 128 R 3.8994 8.0094 118.6149 59.6787 30.0836 178.5965 129 L 4.2132 8.0924 118.6329 57.7083 41.5257 179.5009 130 R 4.0025 8.1959 118.9109 59.4501 29.7800 178.1265 131 D 4.4492 8.0992 117.9725 56.6525 40.7527 178.0392 132 K 4.4699 7.1162 116.8307 55.1701 32.5324 176.2706 133 K 3.8834 8.0780 116.7867 57.5667 29.9278 174.9113 134 L 4.8621 8.0834 117.5500 53.2202 45.1776 175.2612 135 A 4.6452 8.0050 120.3834 50.2635 21.8594 174.2217 136 P 4.5727 0.0000 0.0000 62.8307 32.2083 176.6060 137 I 4.0377 8.6518 124.6105 61.5918 37.5504 176.3269 138 T 4.3225 8.8237 117.4323 61.0955 70.4830 175.2803 139 Y 4.4979 8.8397 124.5060 60.1098 38.8147 176.6749 140 P 4.3100 0.0000 0.0000 65.8578 31.4333 178.5618 141 Q 4.0948 8.0406 116.4188 58.8202 28.5089 179.1328 142 G 3.1159 7.8596 108.1205 46.8217 0.0000 175.4701 143 L 3.4414 7.2517 122.9369 57.5385 42.0638 178.9180 144 A 3.8763 7.8458 120.6024 55.3149 18.3142 179.1537 145 M 3.7291 7.9595 116.4381 58.6484 32.1743 177.9915 146 A 3.9420 7.9153 120.9669 55.5775 18.6452 179.9262 147 R 3.8127 8.0729 116.3913 59.2481 29.8597 178.9016 148 E 3.8853 8.3237 119.0739 58.4354 29.6730 177.9091 149 I 3.1098 7.3831 110.2201 59.1325 38.1862 175.4603 150 G 3.8363 7.5521 107.5336 46.9088 0.0000 174.7591 151 S 4.4417 8.0613 114.9299 58.3342 63.4534 175.4718 152 V 4.0006 8.4862 116.3756 62.9193 32.1057 176.3949 153 K 4.4369 7.7197 119.7186 55.5314 35.2335 172.9056 154 Y 5.2175 8.5690 128.1077 56.1006 40.8128 174.1174 155 L 4.5845 8.2798 125.5489 52.8286 46.3600 175.2251 156 E 5.0788 8.3178 120.5109 54.8988 33.2481 174.6071 157 C 4.9423 8.8613 116.7299 57.3027 34.1030 172.4524 158 S 4.8570 9.0806 114.1205 56.4343 64.0625 174.8350 159 A 4.1860 8.9571 130.4296 54.9915 18.8128 178.4057 160 L 3.3544 7.9540 117.2824 58.0470 42.1408 177.8755 161 T 4.0996 7.6837 105.6116 61.3125 69.5540 175.6201 162 Q 3.7053 8.2501 120.2878 56.0512 27.6938 173.4982 163 R 4.0699 7.4938 118.7440 57.6412 30.4475 178.0134 164 G 3.9336 8.9674 110.1701 46.1506 0.0000 175.1779 165 L 3.9029 7.9435 121.7576 58.1867 42.2084 178.4688 166 K 3.9934 8.2284 119.0909 60.1231 32.0082 178.5532 167 T 3.8637 7.9164 115.4034 66.3468 68.3745 176.2369 168 V 3.2927 7.3786 120.0799 66.3311 31.3794 178.1573 169 F 4.0057 7.3305 116.3583 59.9596 38.7469 177.7088 170 D 4.4229 8.2850 118.9337 57.4411 40.4935 178.5992 171 E 4.0094 8.6171 119.2760 58.8285 29.6063 178.9291 172 A 3.9299 7.9339 120.9855 55.3631 18.4781 179.6136 173 I 3.7663 7.8777 118.0875 64.6647 37.1791 178.5903 174 R 3.9301 8.0760 119.1719 59.4671 29.6679 178.3636 175 A 4.0024 8.2262 119.6728 54.3314 18.3172 178.8254 176 V 4.0376 7.0927 114.2017 64.4304 32.6265 177.0965 177 L 4.5054 8.3713 115.8479 53.8091 42.1351 176.8594 178 G 3.8927 8.0089 113.5382 45.6281 0.0000 173.9220 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 1 M 8.30 4.43 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 Q 8.46 3.98 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 3 A 9.45 5.37 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 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.73 4.70 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 1.13 0.67 0.93 0.00 0.00 5 K 9.54 4.87 0.00 1.73 1.65 0.00 1.04 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.78 7.81 6 C 9.46 5.10 0.00 3.01 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 7 V 8.02 4.86 1.44 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 1.09 0.00 0.00 0.54 0.00 0.00 8 V 8.92 4.84 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 0.90 0.00 0.00 1.04 0.00 0.00 9 V 9.37 4.56 1.49 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 1.02 0.00 0.00 0.85 0.00 0.00 10 G 6.63 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.25 4.81 0.00 3.01 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 12 G 8.68 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 13 A 8.86 3.83 1.45 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 0.00 0.00 14 V 7.39 3.80 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 0.84 0.00 0.00 1.00 0.00 0.00 15 G 8.38 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 16 K 8.47 3.93 0.00 1.83 1.89 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 T 7.79 3.86 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 1.19 0.00 0.00 18 C 7.91 3.81 0.00 2.92 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 19 L 8.20 4.00 0.00 1.88 1.93 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.76 3.89 0.00 1.37 1.17 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.52 3.48 1.63 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 1.18 0.22 0.86 0.00 0.00 22 S 8.16 4.70 0.00 4.09 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 23 Y 7.72 4.08 0.00 2.94 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 24 T 7.93 3.70 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 1.21 0.00 0.00 25 T 7.85 4.29 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 1.18 0.00 0.00 26 N 7.98 4.31 0.00 2.83 2.91 0.00 0.00 6.84 7.25 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 27 A 7.64 4.71 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 28 F 8.80 4.64 0.00 2.98 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 29 P 0.00 4.00 0.00 1.81 2.06 0.00 2.30 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 30 G 7.87 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 0.00 0.00 0.00 0.00 31 E 8.91 4.36 0.00 2.17 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 2.27 2.10 0.00 *32 Y 7.51 4.57 0.00 2.26 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 0.00 0.00 0.00 33 I 8.18 4.31 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.81 0.00 0.00 34 P 0.00 4.18 0.00 2.05 2.00 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 35 T 8.31 3.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 36 V 7.36 3.27 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 0.62 0.00 0.00 0.83 0.00 0.00 37 F 8.05 4.70 0.00 2.94 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 38 D 8.35 4.53 0.00 2.47 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.90 4.96 0.00 2.11 2.11 0.00 0.00 6.81 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.97 4.58 0.00 2.94 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 41 S 8.47 5.22 0.00 3.80 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 42 A 9.04 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.64 5.45 0.00 2.54 2.69 0.00 0.00 6.66 7.68 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 44 V 8.60 4.48 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 1.01 0.00 0.00 1.05 0.00 0.00 45 M 8.74 4.65 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 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0.00 2.13 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 2.40 2.32 0.00 63 D 8.23 4.30 0.00 2.41 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 64 Y 8.12 4.58 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.10 4.32 0.00 2.76 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 66 R 7.87 4.11 0.00 1.77 1.96 0.00 3.18 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 67 L 7.91 4.16 0.00 1.84 1.83 0.88 0.89 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 68 R 8.63 3.82 0.00 1.89 2.06 0.00 3.43 0.00 0.00 3.63 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 69 P 0.00 2.97 0.00 1.78 1.60 0.00 3.65 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 2.05 1.98 0.00 70 L 7.53 4.25 0.00 1.74 1.76 0.93 0.90 0.00 0.00 0.00 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0.00 2.27 2.19 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 88 A 8.12 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.95 4.90 0.00 4.28 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.21 4.17 0.00 2.95 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 91 E 8.42 3.74 0.00 2.11 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 0.00 2.28 2.35 0.00 92 N 8.28 4.47 0.00 3.21 3.00 0.00 0.00 6.57 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 93 V 7.59 3.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.10 0.00 0.00 94 R 7.65 4.02 0.00 2.00 1.86 0.00 3.16 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 95 A 7.96 4.09 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 96 K 7.94 4.05 0.00 1.33 1.08 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.80 7.81 97 W 7.87 4.39 0.00 3.54 3.25 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 98 Y 8.26 4.22 0.00 3.00 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 99 P 0.00 3.85 0.00 2.05 1.92 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 100 E 8.16 3.87 0.00 2.04 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 0.00 2.65 2.50 0.00 101 V 7.91 3.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 102 R 7.60 3.88 0.00 1.52 1.73 0.00 3.33 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.00 103 H 7.95 4.13 0.00 3.18 3.42 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 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0.00 3.29 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 121 D 7.84 4.73 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.98 4.38 0.00 2.82 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 0.00 123 K 8.75 3.85 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 124 D 8.06 4.36 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.24 3.91 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 126 I 7.95 3.72 2.03 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 1.53 0.70 0.92 0.00 0.00 127 E 8.39 3.94 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 128 R 8.01 3.90 0.00 1.96 2.16 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 129 L 8.09 4.21 0.00 1.75 1.75 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.20 4.00 0.00 2.03 2.08 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 131 D 8.10 4.45 0.00 2.90 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 0.00 132 K 7.12 4.47 0.00 2.07 1.82 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 133 K 8.08 3.88 0.00 1.92 1.91 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 134 L 8.08 4.86 0.00 1.71 1.59 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.00 4.65 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 0.00 136 P 0.00 4.57 0.00 1.95 2.02 0.00 3.69 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 2.16 2.14 0.00 137 I 8.65 4.04 1.85 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.25 0.09 0.00 0.00 138 T 8.82 4.32 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 1.21 0.00 0.00 139 Y 8.84 4.50 0.00 3.14 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 0.00 140 P 0.00 4.31 0.00 2.22 2.15 0.00 3.69 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 141 Q 8.04 4.09 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 142 G 7.86 3.12 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 0.00 0.00 0.00 143 L 7.25 3.44 0.00 1.56 1.65 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.85 3.88 1.34 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 0.00 0.00 0.00 145 M 7.96 3.73 0.00 2.24 1.89 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.97 0.00 146 A 7.92 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.07 3.81 0.00 1.94 1.94 0.00 3.22 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 148 E 8.32 3.89 0.00 1.90 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 2.18 2.22 0.00 149 I 7.38 3.11 0.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.52 0.00 0.00 150 G 7.55 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 0.00 151 S 8.06 4.44 0.00 3.92 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 0.00 152 V 8.49 4.00 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 0.62 0.00 0.00 1.01 0.00 0.00 153 K 7.72 4.44 0.00 1.83 1.57 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.45 7.81 154 Y 8.57 5.22 0.00 3.03 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 0.00 155 L 8.28 4.58 0.00 1.32 1.26 0.78 0.69 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 0.00 156 E 8.32 5.08 0.00 1.84 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 157 C 8.86 4.94 0.00 3.01 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 0.00 158 S 9.08 4.86 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.96 4.19 1.51 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 0.00 0.00 160 L 7.95 3.35 0.00 0.96 1.43 -0.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.68 4.10 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 1.14 0.00 0.00 162 Q 8.25 3.71 0.00 2.35 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 163 R 7.49 4.07 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 164 G 8.97 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 0.00 165 L 7.94 3.90 0.00 1.93 1.87 1.13 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.23 3.99 0.00 2.00 1.89 0.00 1.87 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.80 1.82 7.81 167 T 7.92 3.86 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 1.18 0.00 0.00 168 V 7.38 3.29 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 0.09 0.00 0.00 0.77 0.00 0.00 169 F 7.33 4.01 0.00 2.52 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.28 4.42 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.62 4.01 0.00 1.99 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 2.47 2.42 0.00 172 A 7.93 3.93 1.30 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 0.00 173 I 7.88 3.77 2.05 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 1.48 0.65 0.95 0.00 0.00 174 R 8.08 3.93 0.00 2.06 2.08 0.00 3.28 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 175 A 8.23 4.00 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 0.00 176 V 7.09 4.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.98 0.00 0.00 177 L 8.37 4.51 0.00 1.70 1.70 0.94 1.07 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 0.00 178 G 8.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.