NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0855 8.1245 121.4480 61.5377 38.7930 176.6721 3 S 4.5926 8.1137 123.3615 53.5274 62.0214 168.7052 4 P 4.3935 0.0000 0.0000 64.9026 32.6588 178.9854 5 E 3.9685 8.3147 118.8539 59.5570 29.4725 179.3352 6 R 3.9409 8.0993 118.0174 59.0581 29.9617 178.9563 7 L 4.1997 7.5898 118.9616 57.7796 40.9874 179.6264 8 R 4.0993 7.8416 118.0501 59.0076 29.7316 178.8767 9 V 3.7066 7.2186 109.3393 62.0433 32.1584 175.5520 10 Y 4.8433 7.5084 117.4599 55.9423 39.6023 176.4814 11 R 3.9570 9.0537 124.0489 59.6377 30.3351 178.4565 12 F 4.0730 8.4792 118.0120 60.4856 39.6185 175.3555 13 F 4.6754 8.3561 117.4628 57.5943 40.0762 177.6001 14 A 4.3041 7.9783 121.8363 54.2344 18.1746 178.5420 15 S 4.4444 7.8607 107.9776 59.1133 63.9134 174.6545 16 L 4.3122 7.5532 121.9404 54.4602 42.1412 177.4642 17 T 4.1728 8.6540 112.7285 61.5381 70.8000 175.4806 18 D 4.3537 8.5425 121.2642 57.4892 40.7482 178.7095 19 E 3.9433 8.1178 119.2736 59.4271 29.6705 178.6427 20 Q 4.0210 8.1130 118.0852 59.0012 28.7284 178.9958 21 L 4.1012 8.3178 122.4563 58.2720 41.7948 180.1746 22 K 3.9710 8.1118 123.6399 59.9502 31.3795 180.6184 23 D 4.5694 8.1612 119.3752 57.3648 41.2119 178.7599 24 I 3.9059 8.1413 120.2870 64.2666 37.0990 178.1621 25 A 3.9740 8.4467 122.1347 55.2896 17.9154 179.4217 26 L 4.0092 7.7798 117.7319 57.4284 42.3429 177.4982 27 I 4.5062 7.5877 110.9702 60.6831 38.7240 175.5040 28 S 5.4009 7.9652 117.3348 57.6174 66.5044 173.1767 29 E 4.7045 8.9191 121.8572 54.6672 33.3210 173.8535 30 E 4.6804 8.7786 127.3306 56.2010 30.6131 175.7811 31 K 4.7107 9.2413 124.9138 54.7487 36.7437 175.2964 32 S 5.2977 8.3052 117.6196 56.8680 66.1276 173.5841 33 F 4.9692 9.1944 121.2812 55.1117 43.1240 172.8827 34 P 4.8658 0.0000 0.0000 62.0476 33.2874 175.6544 35 T 3.9652 8.4483 117.0614 65.8738 68.5706 174.8059 36 G 3.9375 8.9653 115.6109 44.8758 0.0000 173.7045 37 S 4.3365 7.9028 115.3832 58.1801 64.6299 173.9423 38 V 4.0665 8.2538 122.7384 62.2845 31.0597 175.6208 39 I 3.6010 8.4859 130.9829 63.9048 37.3813 176.5131 40 F 4.9624 7.1406 114.3981 55.6239 41.4512 172.9733 41 K 4.8219 8.6693 118.4688 54.0692 34.9704 175.5600 42 E 4.2335 8.7544 125.0106 58.4333 29.8447 177.2920 43 N 4.6692 9.3643 122.2176 53.3850 37.8187 174.9807 44 S 4.5284 7.9188 114.7570 57.6050 64.4655 173.6556 45 K 3.6429 8.5843 123.6189 57.1047 32.4579 177.2805 46 A 2.6922 8.5730 130.5073 50.6997 17.2831 176.7839 47 D 4.7672 8.0281 117.4184 53.9332 42.8183 175.3203 48 N 5.3602 8.0490 116.0796 51.7216 42.3765 174.0786 49 L 4.2849 8.5786 126.2084 53.2036 45.5852 174.3933 *51 L 4.2693 8.1080 121.0605 54.5691 43.5863 175.1444 52 L 4.5869 8.8483 129.2893 55.2425 42.4150 176.9638 53 L 4.3760 9.0222 127.3339 56.6470 43.0901 176.9331 54 E 4.5225 8.1697 117.5513 56.1288 32.8170 174.5790 55 G 4.1649 9.9106 110.0975 45.2533 0.0000 172.7437 56 G 4.2106 8.2441 107.1494 44.9090 0.0000 171.9542 57 V 4.8157 8.3614 122.8383 60.8009 35.3181 173.7547 58 E 4.9561 9.0500 126.6040 54.6221 32.0469 174.7533 59 L 5.0491 8.9112 125.0245 53.3989 43.7774 175.7408 60 F 4.9891 8.7427 117.7289 56.0102 42.0070 172.3117 61 Y 5.0848 8.4240 117.3563 56.4580 39.2517 177.0927 62 S 4.7501 8.5588 122.0851 57.4337 60.7753 173.3607 *72 S 4.3006 7.7186 117.8147 57.6364 64.1779 174.7452 73 T 4.4367 8.3628 121.8841 62.8730 69.0593 174.3698 74 V 3.9565 8.4797 125.7356 64.6215 33.0576 175.7012 75 C 4.7079 7.3771 116.1427 58.6730 34.6729 172.5345 76 S 5.1346 8.7757 121.0054 56.7566 65.1130 173.4155 77 V 4.3639 8.8359 124.3638 61.2339 33.6586 174.9493 78 V 4.8117 8.0883 119.3154 58.3958 35.5223 173.2828 79 P 4.4760 0.0000 0.0000 64.7629 31.5256 177.1571 80 G 4.1413 9.4698 110.7388 45.0320 0.0000 173.3197 81 A 4.7942 7.7285 122.7018 50.2750 21.1438 176.0821 82 I 4.5245 7.9867 113.8597 59.8291 39.2993 174.7570 83 F 4.8885 7.8895 115.5263 56.8447 40.8137 173.5403 84 G 3.8037 9.2623 106.1468 46.7159 0.0000 176.4868 85 V 3.6715 7.9417 115.2887 63.9277 31.9299 178.5979 86 S 4.2768 8.1642 115.3049 60.2439 62.7942 176.0618 87 S 4.3662 7.8157 114.4235 59.7735 62.5618 175.0647 88 L 4.7515 8.2026 118.3799 54.1110 42.6191 175.9589 89 I 4.3659 7.4813 120.5439 58.9242 38.7537 174.9301 90 K 2.7776 8.1290 124.7229 56.3120 32.1761 174.7754 91 P 4.2836 0.0000 0.0000 62.8854 31.9960 174.9301 92 Y 4.5137 7.7084 113.5111 60.3835 35.5820 169.1234 93 H 5.0244 7.9697 114.6717 53.5858 32.3725 173.6233 94 Y 4.3077 8.3884 122.0351 58.7943 38.0649 177.2087 95 T 4.4662 8.6642 113.4941 62.2048 69.8211 174.0297 96 S 4.8368 7.6782 115.3405 57.5062 66.2385 173.7010 97 S 4.6104 8.5896 116.9561 57.6246 64.7358 173.1788 98 A 5.0560 8.0524 122.8855 50.0320 21.8221 175.4840 99 R 5.0204 8.9001 117.8805 53.9371 33.4990 174.4816 100 A 4.6094 8.5301 123.8201 52.4066 19.0898 178.0350 101 T 4.3452 8.7503 112.5307 61.8628 70.1588 174.0024 102 K 4.6431 7.5887 119.8863 54.3963 36.9978 173.6384 103 P 4.4005 0.0000 0.0000 63.0590 32.2836 175.9618 104 V 4.7802 9.0340 124.5651 61.1526 34.5056 174.3488 105 R 5.3091 8.8306 125.7275 54.6406 33.4400 175.1428 106 V 4.9941 8.9631 115.3735 59.5746 36.6669 174.6872 107 V 4.2698 8.3777 123.2199 62.3207 32.2321 174.7878 108 D 4.9229 9.3298 129.2318 52.9911 42.7898 174.7930 109 I 4.8087 8.6759 127.8376 59.2907 40.0920 174.7390 110 N 4.5836 8.9677 125.8005 53.5793 38.9940 175.8462 111 G 3.5250 9.2715 115.5799 47.5663 0.0000 174.2064 112 A 3.8566 7.9359 122.5996 55.0936 18.1958 179.7961 113 R 3.8525 8.2391 115.5612 59.3612 30.2057 178.9414 114 L 4.1461 7.6364 117.7910 57.8243 41.8775 179.4604 115 R 4.0430 8.1158 118.1608 59.1391 29.8964 179.1170 116 E 3.8014 7.7984 113.8975 57.6940 28.8126 178.7838 *118 S 4.4951 7.9174 116.9942 58.7705 64.9077 175.2644 119 E 4.1313 8.0975 118.7889 59.1366 29.2853 177.8574 120 N 4.5311 8.1855 114.5616 54.1835 39.2394 175.1703 121 N 4.8054 7.7258 115.9480 50.7469 39.9223 173.5167 122 Q 3.9162 8.5966 128.0132 58.9872 29.0791 178.0563 123 A 3.9352 7.9916 121.0078 55.0836 18.5226 179.1887 124 L 3.9764 7.9372 119.1881 58.1137 41.9396 179.1205 125 G 3.7453 8.0999 104.8870 48.1128 0.0000 175.1707 126 Q 4.1820 7.9749 119.6291 58.5730 28.9765 179.1933 127 V 3.7737 7.5797 119.7064 64.6295 31.3973 178.7968 128 L 3.9690 7.8467 116.1040 55.2605 41.1829 178.3624 *130 N 4.6130 8.0369 118.9615 53.8221 40.6388 176.3575 131 N 4.3766 8.1921 115.6679 55.9403 38.3433 177.6852 132 V 3.7360 8.2957 119.9040 66.0075 31.6386 177.7274 133 A 3.9981 8.1382 119.7335 55.3386 18.2375 179.2073 134 A 3.9402 8.4718 119.2772 55.2334 18.2040 179.6761 135 A 4.0018 8.0729 118.3323 55.5053 18.7171 179.8138 136 V 3.7117 8.0581 116.8230 65.7925 31.4439 177.9097 137 L 3.9093 8.2532 120.2669 58.1573 41.9621 178.8499 138 A 4.1725 8.2126 120.0880 54.6379 18.0395 179.6270 139 R 3.9877 7.5698 115.8687 58.5158 30.1294 177.9404 140 L 4.4830 7.3356 116.2673 54.7563 42.0583 176.2418 141 H 4.6251 7.8950 122.2021 55.9021 28.9846 174.1747 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 I 8.12 4.09 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 1.26 1.03 0.83 0.00 0.00 3 S 8.11 4.59 0.00 3.70 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 4 P 0.00 4.39 0.00 2.18 2.31 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 5 E 8.31 3.97 0.00 2.01 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 2.40 2.29 0.00 6 R 8.10 3.94 0.00 1.89 2.03 0.00 3.16 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 7 L 7.59 4.20 0.00 1.66 1.21 0.51 0.36 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 8 R 7.84 4.10 0.00 2.01 2.00 0.00 3.29 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 9 V 7.22 3.71 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 0.62 0.00 0.00 0.14 0.00 0.00 10 Y 7.51 4.84 0.00 3.54 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 11 R 9.05 3.96 0.00 1.97 2.07 0.00 3.26 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 12 F 8.48 4.07 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.36 4.68 0.00 3.54 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 14 A 7.98 4.30 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 0.00 0.00 0.00 0.00 0.00 15 S 7.86 4.44 0.00 3.95 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 16 L 7.55 4.31 0.00 1.84 1.68 1.09 0.84 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 17 T 8.65 4.17 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 1.21 0.00 0.00 18 D 8.54 4.35 0.00 2.71 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 19 E 8.12 3.94 0.00 2.04 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 2.48 2.41 0.00 20 Q 8.11 4.02 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 21 L 8.32 4.10 0.00 1.84 1.72 0.97 1.00 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 22 K 8.11 3.97 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 23 D 8.16 4.57 0.00 2.86 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 24 I 8.14 3.91 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.34 1.12 0.00 0.00 25 A 8.45 3.97 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 26 L 7.78 4.01 0.00 1.87 1.87 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.59 4.51 1.88 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 1.43 0.89 0.92 0.00 0.00 28 S 7.97 5.40 0.00 3.85 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 29 E 8.92 4.70 0.00 1.99 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 2.19 2.24 0.00 30 E 8.78 4.68 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 31 K 9.24 4.71 0.00 1.74 1.33 0.00 1.92 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.40 7.81 32 S 8.31 5.30 0.00 3.59 3.66 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 33 F 9.19 4.97 0.00 2.98 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 34 P 0.00 4.87 0.00 2.14 2.19 0.00 3.90 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 2.12 2.03 0.00 35 T 8.45 3.97 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 1.18 0.00 0.00 36 G 8.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.90 4.34 0.00 4.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.25 4.07 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 0.90 0.00 0.00 1.02 0.00 0.00 39 I 8.49 3.60 1.40 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 0.00 0.21 0.37 0.00 0.00 40 F 7.14 4.96 0.00 2.70 2.89 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 41 K 8.67 4.82 0.00 1.81 1.77 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 42 E 8.75 4.23 0.00 1.96 1.90 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 2.37 2.30 0.00 43 N 9.36 4.67 0.00 2.95 3.07 0.00 0.00 7.05 7.24 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 44 S 7.92 4.53 0.00 4.22 3.90 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 45 K 8.58 3.64 0.00 1.62 1.62 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.47 7.81 46 A 8.57 2.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.77 0.00 2.56 2.64 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 48 N 8.05 5.36 0.00 2.62 2.84 0.00 0.00 6.75 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 49 L 8.58 4.28 0.00 1.68 1.47 0.78 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 *51 L 8.11 4.27 0.00 1.92 1.57 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.85 4.59 0.00 2.08 1.70 1.10 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.02 4.38 0.00 1.69 1.74 0.94 0.56 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 54 E 8.17 4.52 0.00 2.04 1.76 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 2.31 2.34 0.00 55 G 9.91 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 0.00 0.00 0.00 0.00 56 G 8.24 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 0.00 0.00 0.00 0.00 57 V 8.36 4.82 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.43 0.00 0.00 58 E 9.05 4.96 0.00 1.75 1.75 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 2.13 2.14 0.00 59 L 8.91 5.05 0.00 1.46 1.50 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.74 4.99 0.00 3.07 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 61 Y 8.42 5.08 0.00 2.94 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 62 S 8.56 4.75 0.00 4.13 3.88 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 *72 S 7.72 4.30 0.00 3.72 3.78 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 73 T 8.36 4.44 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 1.18 0.00 0.00 74 V 8.48 3.96 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 0.64 0.00 0.00 0.13 0.00 0.00 75 C 7.38 4.71 0.00 2.94 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.78 5.13 0.00 3.72 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 77 V 8.84 4.36 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.75 0.00 0.00 78 V 8.09 4.81 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 0.97 0.00 0.00 0.95 0.00 0.00 79 P 0.00 4.48 0.00 2.11 2.28 0.00 3.66 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 2.07 2.13 0.00 80 G 9.47 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 0.00 0.00 0.00 81 A 7.73 4.79 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 82 I 7.99 4.52 1.51 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.47 0.00 0.00 83 F 7.89 4.89 0.00 3.20 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 84 G 9.26 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.94 3.67 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 0.75 0.00 0.00 0.99 0.00 0.00 86 S 8.16 4.28 0.00 3.85 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 87 S 7.82 4.37 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.20 4.75 0.00 1.67 1.77 1.05 0.97 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 89 I 7.48 4.37 1.86 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 1.44 0.97 0.86 0.00 0.00 90 K 8.13 2.78 0.00 1.45 1.43 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.66 1.08 7.81 91 P 0.00 4.28 0.00 2.11 2.00 0.00 3.78 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 92 Y 7.71 4.51 0.00 3.12 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 93 H 7.97 5.02 0.00 3.01 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.39 4.31 0.00 3.17 3.03 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 95 T 8.66 4.47 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 96 S 7.68 4.84 0.00 3.87 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 97 S 8.59 4.61 0.00 2.72 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 98 A 8.05 5.06 0.12 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 99 R 8.90 5.02 0.00 1.83 2.03 0.00 2.41 0.00 0.00 2.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.33 0.00 100 A 8.53 4.61 1.38 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 0.00 0.00 101 T 8.75 4.35 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 1.09 0.00 0.00 102 K 7.59 4.64 0.00 1.60 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.52 7.81 103 P 0.00 4.40 0.00 2.08 1.99 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 104 V 9.03 4.78 2.33 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 1.27 0.00 0.00 1.00 0.00 0.00 105 R 8.83 5.31 0.00 1.82 1.80 0.00 3.31 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 106 V 8.96 4.99 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 1.03 0.00 0.00 1.23 0.00 0.00 107 V 8.38 4.27 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 0.67 0.00 0.00 0.86 0.00 0.00 108 D 9.33 4.92 0.00 2.87 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 0.00 109 I 8.68 4.81 1.96 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.98 0.00 0.00 110 N 8.97 4.58 0.00 2.79 2.73 0.00 0.00 6.83 7.21 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 0.00 111 G 9.27 3.52 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 0.00 0.00 0.00 112 A 7.94 3.86 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 0.00 113 R 8.24 3.85 0.00 1.95 2.00 0.00 3.32 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 114 L 7.64 4.15 0.00 1.78 1.74 0.97 1.02 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 0.00 115 R 8.12 4.04 0.00 1.80 1.73 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.62 0.00 116 E 7.80 3.80 0.00 2.18 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 2.29 2.42 0.00 *118 S 7.92 4.50 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.10 4.13 0.00 2.40 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 2.34 2.15 0.00 120 N 8.19 4.53 0.00 2.71 2.86 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.73 4.81 0.00 2.70 2.66 0.00 0.00 6.84 7.64 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 0.00 122 Q 8.60 3.92 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 123 A 7.99 3.94 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 0.00 124 L 7.94 3.98 0.00 1.73 1.68 0.93 1.03 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 0.00 125 G 8.10 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 0.00 126 Q 7.97 4.18 0.00 2.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 127 V 7.58 3.77 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 0.84 0.00 0.00 0.80 0.00 0.00 128 L 7.85 3.97 0.00 1.71 1.79 0.97 0.83 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 *130 N 8.04 4.61 0.00 2.81 2.95 0.00 0.00 7.11 6.71 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 0.00 131 N 8.19 4.38 0.00 2.31 2.29 0.00 0.00 6.74 8.53 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 0.00 132 V 8.30 3.74 2.25 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 1.07 0.00 0.00 1.15 0.00 0.00 133 A 8.14 4.00 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 0.00 134 A 8.47 3.94 1.38 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 0.00 0.00 135 A 8.07 4.00 1.48 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 0.00 0.00 136 V 8.06 3.71 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 1.01 0.00 0.00 0.99 0.00 0.00 137 L 8.25 3.91 0.00 1.90 1.87 0.93 1.17 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 0.00 138 A 8.21 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.57 3.99 0.00 1.93 2.01 0.00 3.18 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 140 L 7.34 4.48 0.00 1.46 1.65 0.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.89 4.63 0.00 3.26 3.16 0.00 5.70 0.00 0.00 0.00 0.00 6.91 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.