NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4404 8.3349 116.7967 58.6173 63.0301 171.9344 8 C 4.5134 8.1222 121.5250 57.4487 28.0273 172.0643 9 I 4.1817 7.8651 125.9229 59.5160 36.5606 173.8273 10 Q 4.1616 8.0527 123.5451 55.7255 30.0652 175.9325 11 F 4.5116 8.8804 124.8338 56.1368 38.1766 176.3559 12 T 4.1514 8.2012 115.5956 63.2395 69.2874 176.1060 13 R 4.1556 7.9551 122.4576 58.7516 30.9307 177.4980 14 H 4.2620 8.3346 117.0688 58.7010 29.5494 177.1051 15 A 3.9188 7.9980 122.8486 55.1161 18.3496 179.5497 16 S 4.1004 7.9764 112.2748 61.2496 63.2460 176.0248 17 D 4.3114 8.4345 122.9827 57.2988 40.5501 178.5911 18 V 3.4858 7.4104 118.0860 66.2869 31.3494 177.9367 19 L 3.8697 7.6207 119.6955 57.9280 42.0762 178.3892 20 L 3.9478 7.9847 120.3412 58.5084 42.0205 178.8554 21 N 4.4159 8.4779 116.4705 56.0796 38.5457 177.4729 22 L 4.0115 8.2298 120.9399 57.9168 41.7729 178.9505 23 N 4.3487 8.6778 117.2036 56.7136 38.7486 177.2134 24 R 3.8641 7.8615 119.0926 59.2421 29.9061 178.5335 25 L 4.0141 7.8131 118.7231 58.0821 41.6334 179.8570 26 R 3.7928 7.9084 117.7378 59.5390 29.8353 178.3815 27 S 4.0819 7.5277 113.5273 61.9474 63.0326 176.6891 28 R 4.1428 8.2977 117.6407 55.9776 30.0961 176.3261 29 D 4.4223 7.7268 117.0305 55.0433 40.0496 173.2915 30 I 4.0100 8.8546 119.7166 60.7867 37.0402 175.8380 31 L 3.6928 8.5867 126.5379 55.7114 38.9828 175.0043 32 T 4.0047 8.0269 108.6299 61.8191 69.3442 173.4798 33 D 5.1120 8.1559 124.9496 52.5345 40.4633 175.9355 34 V 4.7035 7.4294 116.3892 61.2710 34.6482 172.0372 35 V 4.9207 8.7192 122.9458 61.3578 34.0901 174.1007 36 I 4.8702 9.1594 129.1194 59.9224 39.3998 174.6004 37 V 4.7935 8.7359 127.6392 61.6902 32.7209 176.1634 38 V 4.4161 8.7941 124.3932 62.9570 34.3769 174.3450 *41 E 4.1443 8.0996 118.6608 56.8493 31.4169 174.4223 42 Q 4.9384 8.0307 119.4467 54.1420 31.9536 174.9785 43 F 4.8102 9.2690 123.1571 55.7231 41.6887 174.8740 44 R 4.8347 8.6901 122.9590 56.0136 31.2405 175.6617 45 A 4.3394 8.4978 122.6516 52.0566 23.9954 174.3811 46 H 4.9583 8.8557 116.4265 54.4793 30.1110 177.0610 47 K 3.5424 9.8634 124.5325 59.9404 31.8249 179.5180 48 T 3.8644 7.7156 109.3583 64.6124 68.5691 176.8389 49 V 3.4073 7.6332 120.5756 65.5792 31.7810 177.5663 50 L 4.0395 7.6484 118.2908 58.4183 41.2865 179.5338 51 M 4.4018 8.1903 116.7456 58.5931 32.0149 178.5020 52 A 4.1621 7.8865 119.3300 54.6020 18.6100 178.6036 53 C 4.5538 7.7185 113.7538 59.4232 29.2451 173.9656 54 S 4.6537 7.8772 114.8492 55.4255 64.6686 174.7473 55 G 3.6400 8.8117 114.9245 47.6070 0.0000 175.0945 56 L 3.7767 7.5352 122.4017 58.0863 42.1228 178.6963 57 F 3.9689 7.8079 117.1787 60.9773 38.5628 177.0820 58 Y 4.0781 8.4637 118.9479 60.7705 38.4263 177.7431 59 S 4.1398 8.3415 113.4305 61.4117 62.3304 176.1428 60 I 3.7681 8.2160 123.0945 64.4306 36.7830 178.3821 61 F 4.5848 7.8507 116.7829 59.7396 38.8415 177.0061 62 T 4.3687 7.1962 107.8397 61.4814 69.1561 174.1913 63 D 4.3691 7.4453 122.0421 54.2642 40.9073 176.6964 64 Q 4.0839 8.5688 126.7502 58.4717 29.1746 177.9991 65 L 4.1407 7.9962 117.8575 57.1293 41.9314 177.8557 66 K 4.1931 7.5884 118.3335 55.8824 32.7454 176.2943 67 C 4.2646 8.3757 121.8417 59.8094 28.6619 173.4023 68 N 4.7454 8.6213 121.1351 52.5866 38.0489 174.6685 69 L 4.8600 8.3723 123.3910 52.8313 44.8935 177.2869 70 S 4.6127 8.6127 115.9313 59.3339 64.2553 173.4786 71 V 4.9563 7.5175 120.1807 61.4504 34.6336 174.5448 72 I 4.6337 8.9293 127.6498 59.6439 40.6336 174.1421 73 N 4.9414 8.8939 125.3116 52.3460 39.1289 174.9735 74 L 4.4306 8.4599 124.8150 54.0918 43.0877 177.3302 75 D 4.4902 8.4250 122.3099 53.8996 42.1418 175.4881 *77 E 4.1541 8.2358 117.9994 56.6185 29.4070 175.4265 78 I 3.9284 8.4593 116.1036 59.8071 39.0181 177.3222 79 N 4.4313 8.6517 120.4733 53.0118 39.3007 174.4919 80 P 4.4425 0.0000 0.0000 65.5549 31.5894 178.3646 81 E 4.1118 8.3999 117.1188 59.7097 29.3743 179.6047 82 G 3.7254 8.1785 104.8724 47.6560 0.0000 175.1863 83 F 4.1775 8.2606 122.8137 61.1446 39.6027 177.0217 84 C 3.8158 8.3244 118.7357 62.3182 31.2710 175.7634 85 I 3.7612 7.6999 121.4956 64.1836 36.7798 178.3111 86 L 4.0051 7.5013 119.9495 57.6132 41.1111 179.1466 87 L 3.8039 7.9106 120.5285 58.4843 41.9196 178.9458 88 D 4.4327 8.0292 118.2870 57.0155 40.6765 178.4313 89 F 4.2944 8.3180 121.4861 61.7374 39.1637 177.1494 90 M 3.5186 7.9282 117.0222 57.8251 31.7585 177.5025 91 Y 4.2832 7.5638 114.9047 58.4646 38.8480 176.8114 92 T 4.4417 7.6076 107.9648 60.3322 69.8936 174.5222 93 S 3.2446 7.7350 115.7158 59.1126 61.6160 171.8289 94 R 4.4918 7.7923 119.3159 54.2907 30.9567 175.4297 95 L 4.3501 8.5001 126.0401 53.3642 42.2108 175.1425 96 N 4.5749 8.5771 125.7535 52.6191 39.4821 174.0290 97 L 4.5551 8.1560 124.9471 52.8604 44.7834 175.9574 98 R 4.7594 9.2765 121.8479 53.7560 33.5525 176.4261 99 E 3.9787 8.8790 119.9970 59.3225 29.6789 177.9567 100 G 3.9068 8.0325 105.2672 46.4801 0.0000 173.2854 101 N 4.9725 7.6849 114.5339 51.1462 39.4146 176.0045 102 I 3.5696 8.1228 119.9104 64.5980 37.7302 177.5402 103 M 4.0101 8.0233 118.6605 58.4706 31.4021 177.7490 104 A 3.9300 8.1317 120.0756 55.7514 18.2310 179.3757 105 V 3.5311 8.1127 115.3946 66.3169 31.3541 178.1438 106 M 3.9320 8.0028 117.2431 58.6717 31.9937 177.4756 107 A 4.0515 7.6853 120.6852 56.1461 18.4841 179.7327 108 T 3.9184 7.7986 112.1658 66.6473 68.4363 176.2670 109 A 3.9780 7.8156 122.5933 55.9434 18.1291 179.3975 110 M 3.8039 7.6543 115.5079 58.7143 32.1708 178.3330 111 Y 4.3921 7.6209 118.6808 60.7827 39.1960 177.6736 112 L 3.7505 8.4678 119.0641 55.4348 41.4279 178.0311 113 Q 3.7827 8.5499 117.7825 57.0595 26.5508 174.6297 114 M 4.4068 7.6786 119.6236 53.8908 30.3581 176.7052 115 E 3.9735 8.2335 122.5526 59.0262 30.5207 178.9539 116 H 4.3778 8.0459 115.1588 57.6280 29.2182 177.5959 117 V 3.4947 7.6306 118.7598 65.6343 30.7961 178.0477 118 V 3.6048 7.9479 118.2756 66.0429 31.0956 177.8186 119 D 4.4516 7.7087 118.4683 57.5250 40.3424 178.8686 120 T 3.9435 7.5315 115.8397 66.6501 68.3873 176.6294 121 C 4.2882 7.8359 118.0284 62.5679 28.0792 176.1011 122 R 3.9618 7.6838 118.7398 59.4438 29.2730 179.2780 123 K 4.0098 7.8746 117.9264 59.2360 31.8162 179.0205 124 F 4.1301 7.8201 118.4733 60.3126 39.3924 177.4064 125 I 4.0455 7.7058 119.0941 64.2610 37.2614 178.1897 126 K 4.1010 8.1000 117.2502 57.8098 32.1000 177.6397 127 A 4.0292 6.9241 121.5098 52.2705 19.0144 177.5310 128 S 3.9776 8.4717 113.3734 58.8799 64.4442 172.3645 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 7 S 8.33 4.44 0.00 3.89 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 8 C 8.12 4.51 0.00 3.02 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 9 I 7.87 4.18 2.01 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 1.32 0.55 0.94 0.00 0.00 10 Q 8.05 4.16 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 11 F 8.88 4.51 0.00 3.04 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 12 T 8.20 4.15 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 1.22 0.00 0.00 13 R 7.96 4.16 0.00 1.90 2.05 0.00 3.21 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 14 H 8.33 4.26 0.00 3.36 3.57 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.00 3.92 1.31 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 0.00 0.00 0.00 16 S 7.98 4.10 0.00 4.05 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 17 D 8.43 4.31 0.00 2.75 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 18 V 7.41 3.49 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.75 0.00 0.00 19 L 7.62 3.87 0.00 1.66 1.58 0.77 0.45 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 20 L 7.98 3.95 0.00 1.80 1.92 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.48 4.42 0.00 2.93 2.85 0.00 0.00 7.06 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 22 L 8.23 4.01 0.00 1.89 1.87 0.83 0.48 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 23 N 8.68 4.35 0.00 3.17 3.04 0.00 0.00 7.28 8.17 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 24 R 7.86 3.86 0.00 2.07 1.95 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 25 L 7.81 4.01 0.00 1.95 2.00 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.91 3.79 0.00 1.53 1.71 0.00 2.87 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 27 S 7.53 4.08 0.00 4.00 3.91 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 28 R 8.30 4.14 0.00 1.72 1.96 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 29 D 7.73 4.42 0.00 2.78 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 30 I 8.85 4.01 1.89 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 1.30 0.70 0.92 0.00 0.00 31 L 8.59 3.69 0.00 1.85 1.78 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.03 4.00 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 0.99 0.00 0.00 33 D 8.16 5.11 0.00 2.53 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 34 V 7.43 4.70 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 0.68 0.00 0.00 1.10 0.00 0.00 35 V 8.72 4.92 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 1.09 0.00 0.00 0.94 0.00 0.00 36 I 9.16 4.87 2.15 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 1.30 1.16 0.78 0.00 0.00 37 V 8.74 4.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 38 V 8.79 4.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.45 0.00 0.00 *41 E 8.10 4.14 0.00 2.20 1.59 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 2.33 2.39 0.00 42 Q 8.03 4.94 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 43 F 9.27 4.81 0.00 3.34 3.17 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 44 R 8.69 4.83 0.00 1.67 1.81 0.00 3.22 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 45 A 8.50 4.34 1.31 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 0.00 0.00 0.00 46 H 8.86 4.96 0.00 3.17 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.86 3.54 0.00 1.38 1.08 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.34 1.21 7.81 48 T 7.72 3.86 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 1.16 0.00 0.00 49 V 7.63 3.41 1.92 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 -0.03 0.00 0.00 0.76 0.00 0.00 50 L 7.65 4.04 0.00 1.98 1.49 0.43 0.80 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 51 M 8.19 4.40 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 3.01 0.00 52 A 7.89 4.16 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 53 C 7.72 4.55 0.00 2.99 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 54 S 7.88 4.65 0.00 4.06 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 55 G 8.81 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 56 L 7.54 3.78 0.00 1.42 1.22 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.81 3.97 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.46 4.08 0.00 3.46 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 59 S 8.34 4.14 0.00 3.94 4.02 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 60 I 8.22 3.77 1.57 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.50 0.00 0.00 61 F 7.85 4.58 0.00 2.99 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 62 T 7.20 4.37 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 0.47 0.00 0.00 63 D 7.45 4.37 0.00 2.67 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 64 Q 8.57 4.08 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 65 L 8.00 4.14 0.00 1.77 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.59 4.19 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.41 7.81 67 C 8.38 4.26 0.00 3.03 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 68 N 8.62 4.75 0.00 2.71 2.80 0.00 0.00 6.77 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 69 L 8.37 4.86 0.00 1.79 1.74 0.95 0.88 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 S 8.61 4.61 0.00 3.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.52 4.96 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 0.84 0.00 0.00 0.96 0.00 0.00 72 I 8.93 4.63 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 1.03 0.00 0.00 73 N 8.89 4.94 0.00 2.62 2.78 0.00 0.00 7.18 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 74 L 8.46 4.43 0.00 1.63 1.58 0.51 0.88 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 75 D 8.43 4.49 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.24 4.15 0.00 1.95 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 2.18 2.23 0.00 78 I 8.46 3.93 1.91 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 1.39 0.49 0.86 0.00 0.00 79 N 8.65 4.43 0.00 2.79 2.90 0.00 0.00 7.05 8.03 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 80 P 0.00 4.44 0.00 2.34 2.36 0.00 3.68 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 81 E 8.40 4.11 0.00 2.09 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 2.45 2.52 0.00 82 G 8.18 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.26 4.18 0.00 3.17 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 84 C 8.32 3.82 0.00 3.15 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 85 I 7.70 3.76 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.60 0.91 0.00 0.00 86 L 7.50 4.01 0.00 1.62 1.68 1.03 0.37 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 87 L 7.91 3.80 0.00 1.09 1.56 0.90 1.29 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 88 D 8.03 4.43 0.00 2.80 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 89 F 8.32 4.29 0.00 3.12 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 90 M 7.93 3.52 0.00 1.83 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.67 0.00 91 Y 7.56 4.28 0.00 2.88 3.07 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 92 T 7.61 4.44 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 1.28 0.00 0.00 93 S 7.73 3.24 0.00 3.97 3.97 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 94 R 7.79 4.49 0.00 1.86 1.90 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 95 L 8.50 4.35 0.00 1.49 1.49 0.32 0.75 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 96 N 8.58 4.57 0.00 2.71 2.68 0.00 0.00 7.02 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.16 4.56 0.00 0.71 0.89 0.40 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.28 4.76 0.00 1.87 1.81 0.00 3.14 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 99 E 8.88 3.98 0.00 1.98 2.03 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 2.33 2.41 0.00 100 G 8.03 3.91 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 0.00 0.00 0.00 101 N 7.68 4.97 0.00 2.89 2.99 0.00 0.00 5.85 7.70 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 0.00 102 I 8.12 3.57 2.03 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 1.56 1.27 1.03 0.00 0.00 103 M 8.02 4.01 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 104 A 8.13 3.93 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 0.00 105 V 8.11 3.53 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 0.89 0.00 0.00 0.94 0.00 0.00 106 M 8.00 3.93 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 107 A 7.69 4.05 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 0.00 108 T 7.80 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 1.46 0.00 0.00 109 A 7.82 3.98 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 0.00 110 M 7.65 3.80 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 111 Y 7.62 4.39 0.00 2.77 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 0.00 112 L 8.47 3.75 0.00 1.83 1.66 1.23 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.55 3.78 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.31 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 114 M 7.68 4.41 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.82 0.00 115 E 8.23 3.97 0.00 1.88 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 2.50 2.23 0.00 116 H 8.05 4.38 0.00 3.24 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.63 3.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.46 0.00 0.00 118 V 7.95 3.60 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 0.97 0.00 0.00 0.96 0.00 0.00 119 D 7.71 4.45 0.00 2.60 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 0.00 120 T 7.53 3.94 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 1.18 0.00 0.00 121 C 7.84 4.29 0.00 2.98 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 0.00 122 R 7.68 3.96 0.00 2.10 2.00 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 123 K 7.87 4.01 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 124 F 7.82 4.13 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.71 4.05 2.12 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 1.57 0.74 0.93 0.00 0.00 126 K 8.10 4.10 0.00 1.72 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.67 7.81 127 A 6.92 4.03 1.12 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 0.00 128 S 8.47 3.98 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.