NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7612 8.2833 118.1283 52.4285 39.3383 174.0565 3 L 3.8204 8.3040 123.0524 57.4126 42.2733 176.4235 4 E 4.0064 9.2461 118.3386 59.2086 30.3122 178.1399 5 K 4.5139 7.8214 116.2747 56.2279 32.6585 176.0286 6 L 4.4536 7.5234 121.3862 52.6249 43.2666 174.9960 7 E 3.8239 8.8937 127.5094 56.7269 29.5509 176.1203 8 V 4.1105 8.1060 125.9967 60.0109 33.2770 175.0961 9 S 4.5745 8.3041 117.2731 57.0355 63.9643 173.6186 10 H 5.0448 8.5678 123.3610 55.4698 29.2552 173.4164 11 D 4.4396 7.9056 120.5362 53.5269 41.7449 176.7084 12 A 3.5947 8.8099 129.5368 55.1915 18.3854 178.1655 13 D 4.9474 8.1031 112.2654 54.1942 41.5144 177.5523 14 S 4.7284 8.5279 113.9373 57.3874 63.0899 172.7024 15 L 4.6769 9.6093 125.6761 53.4062 44.2807 175.1736 16 C 4.4346 8.7974 128.0090 58.9151 32.1754 172.7324 17 V 4.3081 8.5052 127.1768 60.8986 34.0616 174.3846 18 V 4.0566 7.8067 128.6306 62.1976 32.7763 175.0944 19 I 4.4048 8.3050 129.0018 61.1496 37.9908 176.3233 20 E 4.7440 9.5833 122.9563 56.0192 32.9946 175.5692 21 I 4.8450 7.6298 119.8524 59.3439 41.0586 174.7112 22 S 4.8369 8.7501 122.5965 57.1589 64.7404 173.6022 23 K 3.7922 8.5755 123.3662 59.0574 32.0345 176.2427 24 H 4.5352 8.9509 123.4125 55.3861 27.8778 175.2725 25 S 4.5507 8.3137 115.9726 58.2271 63.2703 173.9569 26 N 5.1001 9.1093 122.8732 53.1071 38.8190 173.8619 27 I 4.4576 7.8012 121.8589 60.1374 38.5474 175.4488 28 K 4.2195 8.9304 130.1724 55.4098 32.6341 175.7080 29 Y 4.6488 7.9890 125.9567 57.5676 39.7705 175.3627 30 E 4.7684 8.5439 119.3370 55.4921 31.2806 174.4443 31 L 4.3109 9.0585 130.4562 55.6745 43.1944 175.6158 32 D 4.7628 8.8742 125.7719 52.7390 42.3030 176.6231 33 K 3.8711 9.1812 126.3105 60.0157 32.0675 177.9570 34 E 4.1155 8.1895 116.3027 59.4120 29.8887 178.5067 35 S 4.1307 8.4181 113.4001 60.7063 63.0875 175.8919 36 G 3.8515 8.8838 107.1964 45.0288 0.0000 172.5090 37 A 4.6901 8.8656 123.3680 50.0459 20.8094 179.1234 38 L 4.4295 8.0109 120.6325 54.1024 43.2777 176.3122 *40 V 3.5508 8.0853 119.4373 63.5591 31.5765 175.3075 41 D 4.4624 8.7439 128.2916 55.8144 41.6959 176.6192 42 R 4.4155 7.0696 117.1708 55.9684 32.4822 172.4727 43 V 4.5796 8.2660 123.1606 60.7646 31.9449 175.4501 44 L 4.1085 8.6232 126.8036 55.4274 41.6917 177.9871 45 Y 4.2199 9.0907 122.4971 60.3104 38.0299 176.7613 46 G 3.9493 7.2622 105.1943 43.9258 0.0000 173.9296 47 A 4.3915 8.1452 122.3876 51.2062 17.3632 175.0334 48 Q 4.8121 7.1354 121.8953 54.1083 33.4930 174.4473 49 N 4.9243 8.6715 111.5478 52.2852 39.5639 173.8844 50 Y 2.9650 8.1639 119.1341 58.2390 38.3990 175.8830 51 P 4.3420 0.0000 0.0000 63.4187 31.9545 175.4451 52 A 4.4163 7.3169 117.6026 50.8245 21.9748 175.7913 53 N 4.7056 8.5720 116.5086 54.3188 39.9271 173.6559 54 Y 5.1247 9.2332 123.4950 56.1595 42.1966 174.1900 55 G 4.2424 8.9301 113.9595 45.8983 0.0000 171.4303 56 F 5.3691 8.5723 116.5610 55.8154 42.0070 173.8854 57 V 4.5239 8.3644 120.6471 60.9531 31.9631 174.1369 58 P 4.5589 0.0000 0.0000 62.9484 32.1561 175.4730 59 N 3.1400 8.5405 116.3145 54.0783 36.3207 174.0994 60 T 4.7022 7.2095 109.7517 60.2847 72.1190 172.3659 61 L 4.9824 9.3475 128.6785 53.4334 45.1986 175.5914 62 G 4.4349 8.5360 112.5166 43.6787 0.0000 173.4732 63 S 4.8318 8.5999 114.6804 56.5668 60.4086 172.8826 64 D 4.6808 8.3361 126.7880 53.4027 40.6996 179.4530 65 G 4.0049 8.2205 107.1652 46.3106 0.0000 173.5036 66 D 4.9810 7.5720 118.4839 51.2606 44.0541 173.8931 67 P 5.3146 0.0000 0.0000 61.8022 32.1276 176.7168 68 V 3.7789 8.2516 119.8286 61.9928 31.7384 175.6514 69 D 5.0798 8.8514 125.1998 54.7380 42.3222 175.0831 70 A 4.6313 8.3872 120.8786 50.7923 23.3181 175.1561 71 L 5.0239 8.6594 119.3655 52.9705 45.0114 176.1975 72 V 4.9521 8.2061 122.5649 60.1915 31.0631 173.5091 73 L 4.2335 8.6678 123.1104 54.8694 42.2809 176.6665 74 S 4.6262 8.3365 116.5260 57.8235 65.4290 174.2583 75 D 4.4896 8.6083 119.4560 55.5019 40.9473 176.8242 76 V 4.1199 6.9994 111.3321 59.1868 34.1225 174.4726 77 A 4.5427 7.8275 123.0891 50.3100 20.4841 175.9595 78 F 4.4130 8.5686 122.4589 56.2840 40.1001 175.3283 79 Q 3.7693 8.9763 125.8603 56.2441 29.0062 175.6755 80 A 4.0153 8.5371 127.4183 54.0279 18.5400 176.5792 81 G 4.0598 8.4936 111.4379 45.5073 0.0000 174.3083 82 S 4.4519 8.4335 114.9423 58.1375 64.6418 173.3751 83 V 4.9223 8.0622 119.6543 61.1551 34.1814 174.8954 84 V 4.3463 8.2720 124.7111 60.0764 35.3149 173.6458 85 K 4.7387 8.4773 122.3959 55.7268 33.2965 175.6703 86 A 5.2419 9.2764 127.0563 50.0473 23.2255 174.3111 87 R 4.7661 8.6791 113.5731 54.5119 32.9342 174.9344 88 L 4.4315 9.3627 124.5529 55.0130 41.9274 177.2366 89 V 4.2041 9.8591 122.7513 60.7274 33.3357 176.4729 90 G 3.8204 7.2585 107.7965 47.7434 0.0000 170.9507 91 V 4.6389 7.1950 115.8168 60.9926 35.3315 172.0165 92 L 4.5371 8.7423 126.8178 53.5560 43.1403 175.0100 93 N 4.8703 8.5637 126.2381 52.8365 40.4748 173.6360 *95 E 4.6093 8.5222 120.7418 56.7585 31.8244 174.7950 96 D 3.8608 8.8681 121.1013 51.2683 42.2676 175.0816 97 E 3.2808 6.0257 115.3959 59.6935 29.2511 178.5722 98 S 4.2923 9.4769 115.6570 58.9970 63.6940 175.3038 99 G 4.2558 7.5858 116.7129 46.5131 0.0000 171.7296 *101 D 4.6372 7.2791 122.7110 53.2059 40.9762 174.4181 102 E 4.2564 8.4132 121.9851 56.0850 31.1788 176.7278 103 K 4.3506 8.6729 119.9947 54.3315 35.5946 175.9126 104 L 4.2663 8.2328 125.4413 55.1743 42.9867 176.4706 105 I 4.7727 8.6227 123.9295 59.7835 39.5317 174.7219 106 A 5.0521 8.7441 126.8881 51.1425 23.3572 174.5134 107 L 5.1240 8.2471 118.0669 52.2459 46.1215 175.0808 108 P 4.8527 0.0000 0.0000 61.9514 32.5660 176.6927 109 I 3.7197 8.6392 123.2631 61.6668 37.8110 177.1264 110 D 4.5581 8.9421 124.4977 57.7817 40.3485 179.1317 111 K 3.9341 8.0648 118.4627 59.6221 32.0724 178.3391 112 I 4.2373 8.0539 119.3588 62.9129 37.5568 176.0240 113 D 4.3546 7.3588 119.3456 53.1111 42.3178 172.7554 114 P 4.7288 0.0000 0.0000 63.3204 31.9522 178.2275 115 T 3.8957 7.5162 116.4341 67.1030 68.5574 175.5280 116 H 4.4185 7.6856 117.6694 54.5606 29.7352 176.5041 117 S 4.3941 8.1970 115.6471 60.8489 62.7013 175.2326 118 Y 4.2087 8.0064 117.6770 59.4287 37.3428 177.0251 119 V 3.8442 6.4698 119.8138 62.4349 29.6346 175.1911 120 K 4.1892 8.4222 125.3168 57.9100 32.6790 176.6982 121 D 4.7544 9.6283 117.4785 53.0746 44.5263 176.1993 122 I 3.4905 8.9032 124.9382 64.1136 38.3545 177.3437 123 D 4.4465 7.9382 118.2283 55.6887 39.4203 176.3504 124 D 4.7258 9.0372 119.8794 54.4313 40.7383 175.6541 125 L 4.6305 7.2669 120.0988 52.6726 43.4239 177.3658 126 S 4.2646 8.4637 117.8452 58.3906 64.7308 175.4047 127 K 3.7810 8.5650 124.0098 60.0732 32.0632 178.2012 128 H 4.2129 8.2271 119.2749 59.2946 29.6046 176.2338 129 T 3.8127 7.9286 116.7699 67.1739 68.2429 176.1006 130 L 3.7366 7.9073 120.0988 57.9453 41.6355 179.5218 131 D 4.4332 8.5454 118.9140 57.3981 40.8762 178.5942 132 K 4.0107 8.3819 120.3839 59.6889 32.1183 178.7451 133 I 3.8881 7.9394 119.8249 64.4146 37.1621 177.9061 134 K 3.9689 8.6453 120.5225 60.2198 30.5823 177.8229 135 H 4.2832 8.9897 118.4733 59.7276 29.6175 176.4008 136 F 3.9171 8.5948 122.0383 61.6473 38.9611 177.0030 137 F 3.4102 8.6583 117.5886 59.7298 38.7738 176.4436 138 E 4.7240 7.9744 115.8063 56.2227 30.3006 176.8742 139 T 4.9402 7.6440 106.8753 62.7494 72.8046 174.5934 140 Y 4.8903 8.0079 118.6313 57.5966 37.9129 176.2369 141 K 4.2128 7.2499 118.5250 56.3870 34.1806 177.9125 142 D 4.2741 8.0314 121.3364 57.7167 40.6528 178.5531 143 L 4.3088 7.6851 114.7386 55.5023 41.8541 176.5355 144 E 3.9999 7.4045 119.9126 53.9555 29.6597 174.6579 145 P 4.1885 0.0000 0.0000 64.2561 32.2397 176.0368 146 N 4.1217 8.5527 117.4020 52.4523 35.5413 173.8249 147 K 4.0226 7.2799 111.9998 55.3047 35.8237 173.3633 148 W 5.3402 7.3172 122.2496 55.1618 32.4868 173.8308 149 V 4.7199 8.5037 118.9135 61.4215 34.0888 173.5077 150 K 4.5652 10.0055 130.5244 54.6949 33.7107 175.5915 151 V 3.9279 8.3706 128.3952 61.7745 31.4637 175.7207 152 K 4.0549 8.3523 128.4124 56.7744 32.6295 178.8929 153 G 3.7309 6.7956 104.2308 46.1001 0.0000 170.7951 154 F 5.1792 8.3601 117.9421 56.4210 41.2855 174.9110 155 E 4.9514 9.0098 118.4939 54.7272 34.6689 174.9441 156 N 4.9745 8.6334 118.9591 52.3997 39.0434 175.8797 157 K 3.7600 9.1461 118.9501 59.8389 31.9987 177.6328 158 E 3.9654 8.2386 118.7623 59.6491 29.3296 178.4345 159 S 4.0453 9.1657 112.7785 61.5627 62.4096 175.7580 160 A 3.9586 7.9908 122.9668 55.4824 18.1081 179.3455 161 I 3.5845 8.4249 118.6022 64.8908 37.1521 178.0965 162 K 4.0698 8.1160 120.1949 58.9907 31.7035 179.1227 163 V 3.5305 7.8839 117.9962 67.0509 31.6626 177.1626 164 L 3.8999 8.5078 120.2092 57.5955 41.5993 178.2850 165 E 3.9093 8.5341 117.9389 59.5395 29.4589 179.4451 166 K 3.8363 8.3579 119.4660 59.7653 32.2375 178.4346 167 A 4.9452 7.9692 121.1901 53.7942 18.5669 179.7023 168 I 3.6433 7.4805 118.5455 64.5131 36.8834 178.5035 169 K 4.0787 8.1316 119.1762 59.1850 31.7605 178.9905 170 A 3.9136 7.5044 118.0779 54.4051 18.2514 178.5019 171 Y 4.1761 7.6786 118.0575 59.4123 39.1430 175.0284 172 Q 3.9913 7.8431 121.7012 56.0920 29.0110 175.2740 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 2 N 8.28 4.76 0.00 2.81 2.86 0.00 0.00 6.98 5.85 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 3 L 8.30 3.82 0.00 1.85 1.83 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.25 4.01 0.00 1.98 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 2.37 2.40 0.00 5 K 7.82 4.51 0.00 1.76 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 L 7.52 4.45 0.00 1.57 1.70 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.89 3.82 0.00 1.93 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 2.25 2.28 0.00 8 V 8.11 4.11 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 0.58 0.00 0.00 0.81 0.00 0.00 9 S 8.30 4.57 0.00 3.76 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 10 H 8.57 5.04 0.00 3.14 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.91 4.44 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.81 3.59 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 13 D 8.10 4.95 0.00 2.76 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 14 S 8.53 4.73 0.00 3.77 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 15 L 9.61 4.68 0.00 1.89 1.56 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.80 4.43 0.00 3.14 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 17 V 8.51 4.31 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 0.79 0.00 0.00 0.82 0.00 0.00 18 V 7.81 4.06 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 0.00 0.00 0.76 0.00 0.00 0.64 0.00 0.00 19 I 8.30 4.40 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.28 1.07 0.00 0.00 20 E 9.58 4.74 0.00 2.02 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 0.00 2.42 2.50 0.00 21 I 7.63 4.84 1.51 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.21 0.00 0.00 22 S 8.75 4.84 0.00 3.88 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 23 K 8.58 3.79 0.00 1.75 1.66 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.91 1.30 7.81 24 H 8.95 4.54 0.00 3.32 3.68 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.31 4.55 0.00 4.00 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 26 N 9.11 5.10 0.00 2.96 3.20 0.00 0.00 6.21 7.80 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 27 I 7.80 4.46 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.01 0.00 0.00 28 K 8.93 4.22 0.00 1.94 1.96 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.36 1.34 7.81 29 Y 7.99 4.65 0.00 3.11 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 30 E 8.54 4.77 0.00 1.98 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 2.22 2.34 0.00 31 L 9.06 4.31 0.00 1.87 1.83 1.07 1.13 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 32 D 8.87 4.76 0.00 2.87 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 33 K 9.18 3.87 0.00 1.80 1.93 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.44 7.81 34 E 8.19 4.12 0.00 1.95 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 0.00 2.32 2.37 0.00 35 S 8.42 4.13 0.00 4.01 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.88 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 0.00 0.00 0.00 37 A 8.87 4.69 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 38 L 8.01 4.43 0.00 1.66 1.85 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *40 V 8.09 3.55 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 0.52 0.00 0.00 0.92 0.00 0.00 41 D 8.74 4.46 0.00 2.65 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.07 4.42 0.00 1.88 1.73 0.00 3.15 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 43 V 8.27 4.58 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 0.90 0.00 0.00 0.90 0.00 0.00 44 L 8.62 4.11 0.00 1.85 1.69 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.09 4.22 0.00 2.74 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 46 G 7.26 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.15 4.39 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 48 Q 7.14 4.81 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 49 N 8.67 4.92 0.00 2.93 2.80 0.00 0.00 5.92 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 50 Y 8.16 2.97 0.00 3.04 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 51 P 0.00 4.34 0.00 1.94 1.98 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 52 A 7.32 4.42 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 53 N 8.57 4.71 0.00 2.81 2.91 0.00 0.00 6.20 7.48 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 54 Y 9.23 5.12 0.00 3.10 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 55 G 8.93 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 0.00 0.00 0.00 0.00 56 F 8.57 5.37 0.00 3.12 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.36 4.52 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 58 P 0.00 4.56 0.00 1.94 2.02 0.00 3.92 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 59 N 8.54 3.14 0.00 2.52 1.89 0.00 0.00 6.63 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 60 T 7.21 4.70 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 1.29 0.00 0.00 61 L 9.35 4.98 0.00 1.86 1.67 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.54 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.83 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.34 4.68 0.00 2.81 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 65 G 8.22 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 66 D 7.57 4.98 0.00 2.86 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 67 P 0.00 5.31 0.00 2.04 2.29 0.00 3.43 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.17 0.00 68 V 8.25 3.78 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 0.76 0.00 0.00 0.92 0.00 0.00 69 D 8.85 5.08 0.00 2.62 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.39 4.63 1.08 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 71 L 8.66 5.02 0.00 1.58 1.59 1.07 0.90 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 72 V 8.21 4.95 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 0.76 0.00 0.00 0.87 0.00 0.00 73 L 8.67 4.23 0.00 1.53 1.61 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.34 4.63 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.61 4.49 0.00 2.66 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 76 V 7.00 4.12 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.22 0.00 0.00 77 A 7.83 4.54 1.15 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 0.00 0.00 78 F 8.57 4.41 0.00 3.06 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 79 Q 8.98 3.77 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 80 A 8.54 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.49 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 82 S 8.43 4.45 0.00 3.86 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 83 V 8.06 4.92 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 0.78 0.00 0.00 0.84 0.00 0.00 84 V 8.27 4.35 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 0.36 0.00 0.00 0.47 0.00 0.00 85 K 8.48 4.74 0.00 1.64 1.69 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.35 7.81 86 A 9.28 5.24 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 87 R 8.68 4.77 0.00 1.96 1.94 0.00 2.74 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 88 L 9.36 4.43 0.00 1.47 1.64 0.90 0.80 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 89 V 9.86 4.20 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 0.80 0.00 0.00 0.97 0.00 0.00 90 G 7.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.19 4.64 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 0.62 0.00 0.00 0.95 0.00 0.00 92 L 8.74 4.54 0.00 1.40 1.45 -0.09 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.56 4.87 0.00 2.77 2.58 0.00 0.00 6.60 7.16 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 *95 E 8.52 4.61 0.00 2.29 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 2.39 2.62 0.00 96 D 8.87 3.86 0.00 2.44 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 97 E 6.03 3.28 0.00 1.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 98 S 9.48 4.29 0.00 3.81 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 99 G 7.59 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 0.00 0.00 0.00 *101 D 7.28 4.64 0.00 2.70 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 0.00 102 E 8.41 4.26 0.00 1.84 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 2.29 2.38 0.00 103 K 8.67 4.35 0.00 1.35 1.46 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.28 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.36 1.06 7.81 104 L 8.23 4.27 0.00 1.55 1.56 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.62 4.77 1.82 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 1.29 1.15 0.91 0.00 0.00 106 A 8.74 5.05 1.21 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 0.00 0.00 107 L 8.25 5.12 0.00 1.43 1.49 0.92 1.09 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 0.00 108 P 0.00 4.85 0.00 1.92 1.82 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 109 I 8.64 3.72 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 1.25 0.53 0.92 0.00 0.00 110 D 8.94 4.56 0.00 2.66 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 0.00 111 K 8.06 3.93 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 112 I 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.93 3.81 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 130 L 7.91 3.74 0.00 1.69 1.26 0.67 0.38 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 0.00 131 D 8.55 4.43 0.00 2.78 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 0.00 132 K 8.38 4.01 0.00 1.75 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 I 7.94 3.89 2.33 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 1.26 0.00 0.00 134 K 8.65 3.97 0.00 2.26 2.17 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.45 7.81 135 H 8.99 4.28 0.00 3.27 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.59 3.92 0.00 3.26 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 0.00 137 F 8.66 3.41 0.00 3.24 3.19 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 0.00 138 E 7.97 4.72 0.00 2.18 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 2.53 2.34 0.00 139 T 7.64 4.94 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 1.05 0.00 0.00 140 Y 8.01 4.89 0.00 2.30 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 0.00 0.00 0.00 0.00 141 K 7.25 4.21 0.00 1.27 1.33 0.00 1.20 0.00 0.00 1.20 0.00 0.00 2.38 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.51 0.21 7.81 142 D 8.03 4.27 0.00 2.64 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 0.00 143 L 7.69 4.31 0.00 1.68 1.87 0.92 0.95 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 0.00 144 E 7.40 4.00 0.00 1.77 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 1.47 1.47 0.00 145 P 0.00 4.19 0.00 2.19 2.09 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 146 N 8.55 4.12 0.00 2.86 2.90 0.00 0.00 6.81 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 0.00 147 K 7.28 4.02 0.00 1.68 1.45 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.90 1.51 7.81 148 W 7.32 5.34 0.00 3.49 3.11 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 0.00 149 V 8.50 4.72 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.91 0.00 0.00 150 K 10.01 4.57 0.00 1.86 2.14 0.00 2.06 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.42 7.81 151 V 8.37 3.93 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 0.72 0.00 0.00 1.02 0.00 0.00 152 K 8.35 4.05 0.00 1.97 1.77 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.44 7.81 153 G 6.80 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 0.00 154 F 8.36 5.18 0.00 2.92 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 0.00 155 E 9.01 4.95 0.00 1.90 1.80 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 2.25 2.26 0.00 156 N 8.63 4.97 0.00 3.09 2.99 0.00 0.00 5.54 6.69 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 0.00 157 K 9.15 3.76 0.00 1.88 1.97 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.52 7.81 158 E 8.24 3.97 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 159 S 9.17 4.05 0.00 3.89 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 0.00 160 A 7.99 3.96 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 0.00 161 I 8.42 3.58 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.00 0.00 0.00 162 K 8.12 4.07 0.00 2.06 1.85 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 163 V 7.88 3.53 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 0.78 0.00 0.00 0.97 0.00 0.00 164 L 8.51 3.90 0.00 1.73 1.76 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.53 3.91 0.00 2.11 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 2.33 2.38 0.00 166 K 8.36 3.84 0.00 1.92 2.00 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 167 A 7.97 4.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 3.64 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.83 0.00 0.00 169 K 8.13 4.08 0.00 1.81 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.61 7.81 170 A 7.50 3.91 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 7.68 4.18 0.00 3.15 3.24 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 0.00 172 Q 7.84 3.99 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.32 0.00 0.00 0.00 0.00 0.00 2.49 2.86 0.00 * Residues marked with a * may have inaccurate shift predictions.