NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1373 8.3401 121.7036 55.9359 30.1600 173.8684 4 A 4.7120 8.0263 126.3234 49.1507 22.2280 173.4032 5 Y 4.0789 8.7713 118.9773 57.8274 40.4233 173.3266 6 D 4.6770 7.4275 125.6220 52.1856 42.4350 176.3301 7 N 4.5709 8.8062 124.4847 55.3391 38.6256 175.2992 8 N 4.8224 8.3867 115.0642 52.5808 39.7215 175.3475 9 N 4.4171 7.7970 117.8019 52.7481 39.1469 175.5414 10 I 3.6284 8.1389 121.1957 64.5114 37.9057 178.2079 11 F 4.5221 8.0830 117.8840 60.2070 38.7425 177.3656 12 A 4.0786 8.6694 120.8182 55.2672 18.0979 179.8935 13 K 3.9469 8.2283 116.9341 59.2336 32.0035 179.2702 14 L 3.8241 8.0783 120.8774 58.3407 41.7729 178.8656 15 I 3.6456 7.6027 118.3810 64.4806 37.1041 177.5760 16 R 4.3577 7.4018 115.5830 55.1593 30.0671 175.9911 17 N 4.1891 8.0103 114.9112 54.5182 36.5843 174.9714 18 E 4.3943 8.4455 117.3642 56.7304 30.2666 176.4339 19 I 4.7152 7.1445 111.1097 57.9113 40.8117 173.1915 20 P 4.5231 0.0000 0.0000 62.8936 32.0252 175.6399 21 S 4.4860 8.0852 112.5987 56.9680 65.8973 173.7292 22 V 4.2762 8.3763 121.8262 61.6836 32.8349 174.1568 23 R 5.0618 8.4452 127.0186 54.9493 31.5506 176.9288 24 V 4.0173 8.9558 125.0115 65.6055 32.1754 175.1866 25 Y 4.9831 7.6744 115.9914 56.8463 41.0179 172.3072 26 E 4.7231 8.5935 116.3013 55.3605 32.3234 174.2360 27 D 4.6832 8.3880 117.8401 52.7009 41.7848 175.4316 28 D 4.2632 8.8647 117.2054 57.3179 41.2788 176.7074 29 D 4.7946 8.5687 118.6972 55.4865 42.9903 176.8148 30 V 5.0367 7.7470 109.5243 59.7997 37.1421 174.6690 31 I 4.8564 8.5719 121.3590 59.6686 41.0850 174.3738 32 A 5.2437 8.4108 129.2180 50.3271 20.9755 175.7325 33 F 5.3198 8.2369 116.3665 55.3814 42.0873 173.6044 34 M 4.4787 9.0477 120.7174 55.0860 32.5047 175.9793 35 D 4.6037 8.3641 124.3552 54.1095 41.6150 176.4751 36 I 3.9973 8.7876 118.8493 62.8010 38.7026 175.1778 37 M 5.6031 8.7092 120.1423 52.0736 31.8522 173.6327 38 P 4.3882 0.0000 0.0000 62.8455 32.5332 177.7459 39 Q 4.1562 9.0865 119.8848 57.7452 29.5394 175.7755 40 A 4.4350 7.3884 118.3546 50.1886 21.7719 173.7313 41 P 4.2731 0.0000 0.0000 64.2256 31.6209 177.1302 42 G 3.3749 8.6980 111.2529 44.5338 0.0000 172.3264 43 H 4.2738 7.9231 120.4478 57.2746 30.7155 174.1418 44 T 4.9937 8.9859 122.1344 61.6751 72.3600 173.1038 45 L 5.0466 8.2507 123.7775 52.7960 45.2334 175.5598 46 V 4.8820 8.6535 122.5523 61.0096 34.2957 174.3698 47 I 5.2907 8.5585 120.7924 58.3193 41.0174 173.0290 48 P 4.9689 0.0000 0.0000 62.7485 31.7147 176.5337 49 K 4.2385 9.0795 124.6801 59.8510 32.5410 178.8971 50 K 4.2140 8.0974 120.2394 53.8016 32.5458 179.2498 51 G 3.4820 8.2298 110.7018 44.0284 0.0000 173.5097 52 S 4.4625 7.7131 117.9337 56.2367 66.3932 175.2568 53 R 4.6006 9.7631 122.0043 58.8634 30.5198 176.2125 54 N 4.6114 8.2598 114.7960 52.5707 40.0159 174.3690 55 L 4.1404 8.9497 117.2100 58.2269 42.5833 180.1591 56 L 4.0268 8.1801 118.5507 57.0834 41.5548 177.4715 57 D 4.7251 7.9135 114.3273 52.5723 39.9694 176.1657 58 A 3.8834 7.4317 124.1087 52.0164 18.9140 176.7836 59 D 4.2652 8.7756 121.9029 54.9576 41.6786 177.2605 60 T 3.7434 8.3823 124.5620 66.9523 68.6846 175.1513 61 E 3.3336 8.0247 120.4507 60.2407 29.6632 178.9854 62 T 3.9035 7.8528 114.6438 65.6344 68.6233 176.4148 63 L 4.1316 7.7909 121.5247 57.4850 41.4874 179.3896 64 F 4.4883 8.2857 118.6018 60.2107 38.9610 175.9416 65 P 4.3211 0.0000 0.0000 65.6471 30.9864 178.5016 66 V 3.5081 7.7183 117.8158 66.0655 31.5387 177.9306 67 I 3.3590 8.0368 118.6645 63.5598 37.7486 177.4748 68 K 3.8016 8.2257 120.5502 59.7140 31.8945 178.6001 69 A 4.1353 8.0533 120.8284 54.9380 18.3194 179.7225 70 V 3.4632 7.8792 117.0312 66.1200 31.5650 178.0712 71 Q 3.8964 8.0812 119.1800 59.1590 28.9299 178.2648 72 K 3.9374 8.1522 119.4963 59.5899 32.0889 179.4669 73 I 3.7592 8.2531 120.1287 64.1705 37.1000 178.0290 74 A 3.9957 8.4933 122.0166 55.4099 18.1377 179.9127 75 K 3.9283 8.1677 116.4285 59.5798 32.1085 179.5899 76 A 4.0010 8.0281 121.0935 54.9033 18.3250 179.8114 77 V 3.7293 8.3644 117.2364 66.0339 31.5926 178.0396 78 K 3.9224 8.1442 119.2920 59.4765 32.1405 178.5890 79 K 3.8934 8.2653 119.5389 59.5718 31.9604 178.5807 80 A 3.8900 8.2880 120.0666 54.3909 18.3357 178.6099 81 F 4.3911 8.0170 112.8252 56.0483 40.5168 175.7843 82 Q 3.2781 7.6837 116.6581 56.7180 26.6959 174.0376 83 A 4.4545 8.0300 119.2903 51.7482 19.9857 178.1286 84 D 4.5474 8.7170 120.9865 57.2112 41.8680 176.1288 85 G 4.2539 8.2034 104.1099 45.3825 0.0000 171.8560 86 I 5.1102 8.0906 119.3533 59.9774 40.9750 175.1423 87 T 4.5473 9.0298 124.2592 61.8329 70.6014 173.5199 88 V 5.2956 8.3032 126.1422 60.8147 33.5236 174.6441 89 M 4.7530 8.4545 125.6358 53.7319 36.5998 173.9409 90 Q 4.1596 7.6763 121.6389 54.5671 32.1768 173.7119 91 F 4.9403 8.3923 124.2662 55.6098 41.9540 174.3286 92 N 4.9267 8.6053 121.4846 52.4772 40.5422 175.0179 93 E 4.2661 9.3333 121.4258 55.4348 29.5776 175.6748 94 A 4.1644 8.6652 121.4644 55.5069 18.4802 179.9337 95 A 4.2333 8.0957 117.1564 54.7646 18.5434 178.1817 96 S 4.5337 8.1495 112.1695 58.6205 63.1053 174.6263 97 Q 3.5101 8.2942 117.4204 55.7168 25.6640 177.3813 98 Q 4.0981 8.0029 120.9255 57.1304 29.2998 175.7368 99 T 4.1971 8.3135 114.5337 61.4528 70.8951 174.0690 100 V 3.8825 7.2902 121.4321 61.2277 32.5040 175.7902 101 Y 4.4533 8.1499 129.9969 57.5049 37.1195 174.9462 102 H 5.3823 7.6629 117.7777 53.8261 33.6214 172.0352 103 L 4.2197 8.6102 129.0482 56.1574 42.2690 175.9628 104 H 5.3488 8.5834 120.8092 54.1602 31.7739 172.4415 105 F 4.7461 9.2457 120.4405 56.2725 41.4490 174.5535 106 H 5.0225 9.4302 120.7691 55.1056 30.6231 174.4367 107 I 4.5503 8.9827 123.8189 59.7519 39.9765 174.5853 108 I 4.7236 8.6064 129.3273 58.4042 39.6811 173.8402 109 P 4.8678 0.0000 0.0000 62.8163 32.3347 175.9256 110 R 4.7810 8.9493 120.4539 54.7112 34.0321 174.3886 111 M 5.1515 8.4480 123.2966 53.6031 35.7962 175.5388 112 E 3.9233 9.2102 118.5970 57.8405 29.9896 176.6317 113 G 3.9509 8.9887 111.9685 44.4590 0.0000 172.9104 114 I 4.1943 7.6568 123.4498 60.0137 37.6484 176.3221 115 E 4.2618 8.4981 121.6102 55.4230 30.4219 172.8578 116 L 4.5441 8.0374 118.1511 55.4294 42.8821 177.9551 117 T 4.4100 7.8014 116.7008 61.9996 69.8593 170.6993 118 P 4.3471 0.0000 0.0000 61.5680 31.6482 176.4577 *121 N 4.4601 8.3160 122.8210 53.0898 39.3262 171.5736 122 I 4.3681 7.5154 120.2102 58.5737 40.2570 173.7702 123 I 4.8979 8.3463 128.1455 59.9801 39.2056 174.8327 124 T 4.6742 8.2254 124.4733 61.2017 69.9485 173.3653 125 P 4.5259 0.0000 0.0000 62.4987 32.9821 177.2566 126 T 3.9469 8.9426 119.9264 67.7872 68.4032 176.9893 127 E 4.0058 8.2123 119.3453 61.3559 29.7348 181.0585 128 I 4.0861 7.6931 120.3579 63.9456 37.2959 178.2929 129 L 4.0435 7.9382 119.9314 57.7801 41.4821 179.1256 130 E 3.9641 8.8939 119.5493 59.2576 29.6753 178.6745 131 E 3.9936 8.0931 118.0784 59.7186 29.6053 179.2191 132 N 4.5622 8.3643 116.1973 56.2646 38.5877 177.4103 133 A 4.1204 8.5133 122.6665 55.0846 18.3944 179.8080 134 K 3.9842 8.2525 117.0431 59.4644 31.8721 179.7061 135 K 3.8794 7.6930 117.3193 59.5364 32.2845 179.1684 136 I 3.9024 7.8251 119.9979 64.4032 37.0492 178.6425 137 R 3.9195 8.5134 119.1305 59.3750 29.7320 179.0338 138 A 4.0301 8.2512 119.2174 54.5205 18.4146 178.6292 139 A 4.2743 7.5461 117.1005 52.7853 19.1839 177.3291 140 L 4.0354 7.5136 121.8969 54.8758 41.6332 176.9273 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 3 Q 8.34 4.14 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 4 A 8.03 4.71 1.28 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 0.00 0.00 5 Y 8.77 4.08 0.00 2.94 2.92 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 0.00 0.00 0.00 0.00 6 D 7.43 4.68 0.00 2.60 2.26 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 7 N 8.81 4.57 0.00 2.77 2.91 0.00 0.00 7.05 8.00 0.00 0.00 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 N 8.39 4.82 0.00 2.81 2.77 0.00 0.00 6.96 7.57 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 9 N 7.80 4.42 0.00 2.92 2.80 0.00 0.00 6.56 7.82 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 10 I 8.14 3.63 1.76 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 1.68 1.56 0.47 0.00 0.00 11 F 8.08 4.52 0.00 3.14 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 12 A 8.67 4.08 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 13 K 8.23 3.95 0.00 2.01 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.70 7.81 14 L 8.08 3.82 0.00 1.75 1.74 -0.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.60 3.65 2.05 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 1.49 0.66 0.92 0.00 0.00 16 R 7.40 4.36 0.00 1.73 1.94 0.00 3.33 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 17 N 8.01 4.19 0.00 2.82 2.87 0.00 0.00 6.86 8.28 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 18 E 8.45 4.39 0.00 2.04 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 2.29 2.43 0.00 19 I 7.14 4.72 1.86 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 1.45 0.60 0.90 0.00 0.00 20 P 0.00 4.52 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 21 S 8.09 4.49 0.00 3.73 3.59 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 0.00 0.00 0.00 22 V 8.38 4.28 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 1.15 0.00 0.00 0.97 0.00 0.00 23 R 8.45 5.06 0.00 1.75 1.92 0.00 3.24 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 24 V 8.96 4.02 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 0.93 0.00 0.00 1.02 0.00 0.00 25 Y 7.67 4.98 0.00 3.14 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 26 E 8.59 4.72 0.00 2.13 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 0.00 2.19 2.29 0.00 27 D 8.39 4.68 0.00 2.94 2.91 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 D 8.86 4.26 0.00 2.69 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.57 4.79 0.00 2.78 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 30 V 7.75 5.04 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 0.76 0.00 0.00 0.85 0.00 0.00 31 I 8.57 4.86 1.89 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 1.10 1.00 0.92 0.00 0.00 32 A 8.41 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.24 5.32 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.05 4.48 0.00 1.92 2.11 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 2.88 2.86 0.00 35 D 8.36 4.60 0.00 2.45 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 0.00 0.00 0.00 0.00 36 I 8.79 4.00 1.91 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 1.50 0.55 0.98 0.00 0.00 37 M 8.71 5.60 0.00 1.94 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 2.53 2.60 0.00 38 P 0.00 4.39 0.00 2.34 2.05 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 39 Q 9.09 4.16 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 40 A 7.39 4.43 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 41 P 0.00 4.27 0.00 1.84 1.98 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 42 G 8.70 3.37 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 0.00 43 H 7.92 4.27 0.00 3.39 3.16 0.00 5.54 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.99 4.99 4.22 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 1.19 0.00 0.00 45 L 8.25 5.05 0.00 0.27 0.95 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.65 4.88 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 1.07 0.00 0.00 0.90 0.00 0.00 47 I 8.56 5.29 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.96 0.00 0.00 48 P 0.00 4.97 0.00 2.27 2.13 0.00 4.11 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 2.12 2.04 0.00 49 K 9.08 4.24 0.00 1.74 1.92 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.39 7.81 50 K 8.10 4.21 0.00 1.78 1.59 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.00 7.81 51 G 8.23 3.48 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 0.00 52 S 7.71 4.46 0.00 3.97 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 53 R 9.76 4.60 0.00 2.19 2.25 0.00 3.16 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 54 N 8.26 4.61 0.00 2.95 2.92 0.00 0.00 7.03 8.63 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 55 L 8.95 4.14 0.00 1.80 1.81 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.18 4.03 0.00 1.82 1.74 0.96 1.08 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 57 D 7.91 4.73 0.00 2.78 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 58 A 7.43 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.78 4.27 0.00 2.72 2.56 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 60 T 8.38 3.74 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 61 E 8.02 3.33 0.00 2.09 1.74 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 2.21 2.24 0.00 62 T 7.85 3.90 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 1.20 0.00 0.00 63 L 7.79 4.13 0.00 1.86 1.85 0.97 1.18 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 64 F 8.29 4.49 0.00 3.05 2.94 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 65 P 0.00 4.32 0.00 2.30 2.47 0.00 3.91 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 66 V 7.72 3.51 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 1.08 0.00 0.00 1.05 0.00 0.00 67 I 8.04 3.36 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.96 0.00 0.00 68 K 8.23 3.80 0.00 1.87 2.06 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 69 A 8.05 4.14 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 70 V 7.88 3.46 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 0.65 0.00 0.00 0.63 0.00 0.00 71 Q 8.08 3.90 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 72 K 8.15 3.94 0.00 2.05 1.80 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.60 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.40 1.56 7.81 73 I 8.25 3.76 1.96 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 1.82 0.88 0.95 0.00 0.00 74 A 8.49 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 75 K 8.17 3.93 0.00 1.81 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 76 A 8.03 4.00 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 77 V 8.36 3.73 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 1.03 0.00 0.00 1.06 0.00 0.00 78 K 8.14 3.92 0.00 1.97 2.02 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.65 7.81 79 K 8.27 3.89 0.00 1.86 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 80 A 8.29 3.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.02 4.39 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 82 Q 7.68 3.28 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 83 A 8.03 4.45 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 84 D 8.72 4.55 0.00 2.71 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 85 G 8.20 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 86 I 8.09 5.11 1.87 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 1.35 0.95 0.91 0.00 0.00 87 T 9.03 4.55 4.22 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 1.21 0.00 0.00 88 V 8.30 5.30 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 1.15 0.00 0.00 0.94 0.00 0.00 89 M 8.45 4.75 0.00 1.24 1.64 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 90 Q 7.68 4.16 0.00 1.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 91 F 8.39 4.94 0.00 2.98 2.91 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 92 N 8.61 4.93 0.00 2.70 2.76 0.00 0.00 7.11 7.66 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 93 E 9.33 4.27 0.00 2.28 2.14 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 2.28 2.45 0.00 94 A 8.67 4.16 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 95 A 8.10 4.23 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 96 S 8.15 4.53 0.00 4.20 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.29 3.51 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 98 Q 8.00 4.10 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 99 T 8.31 4.20 4.17 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 1.14 0.00 0.00 100 V 7.29 3.88 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 -0.04 0.00 0.00 0.47 0.00 0.00 101 Y 8.15 4.45 0.00 3.07 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 0.00 102 H 7.66 5.38 0.00 3.43 3.48 0.00 5.94 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.61 4.22 0.00 1.83 1.63 0.78 0.94 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 0.00 104 H 8.58 5.35 0.00 3.14 3.35 0.00 5.56 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 0.00 105 F 9.25 4.75 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 9.43 5.02 0.00 3.10 3.24 0.00 5.55 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 0.00 107 I 8.98 4.55 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.94 0.00 0.00 108 I 8.61 4.72 1.79 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 0.72 0.70 0.80 0.00 0.00 109 P 0.00 4.87 0.00 2.00 2.00 0.00 3.57 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 110 R 8.95 4.78 0.00 1.62 1.81 0.00 3.19 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 111 M 8.45 5.15 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 112 E 9.21 3.92 0.00 1.95 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 0.00 2.28 2.18 0.00 113 G 8.99 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 0.00 114 I 7.66 4.19 1.98 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 1.32 0.93 0.91 0.00 0.00 115 E 8.50 4.26 0.00 1.99 1.74 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 2.23 1.90 0.00 116 L 8.04 4.54 0.00 1.63 1.62 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.80 4.41 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 1.21 0.00 0.00 118 P 0.00 4.35 0.00 1.99 1.99 0.00 3.69 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 1.98 2.21 0.00 *121 N 8.32 4.46 0.00 2.68 2.80 0.00 0.00 7.02 7.94 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 0.00 122 I 7.52 4.37 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.30 0.94 0.00 0.00 123 I 8.35 4.90 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.92 0.00 0.00 124 T 8.23 4.67 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 1.23 0.00 0.00 125 P 0.00 4.53 0.00 2.13 2.18 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 126 T 8.94 3.95 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 1.23 0.00 0.00 127 E 8.21 4.01 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.98 0.00 128 I 7.69 4.09 1.90 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 1.67 0.46 0.96 0.00 0.00 129 L 7.94 4.04 0.00 1.91 1.77 0.96 0.85 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 0.00 130 E 8.89 3.96 0.00 2.20 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 0.00 2.33 2.43 0.00 131 E 8.09 3.99 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 132 N 8.36 4.56 0.00 2.90 3.24 0.00 0.00 6.98 7.53 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 0.00 133 A 8.51 4.12 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 0.00 134 K 8.25 3.98 0.00 2.02 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 135 K 7.69 3.88 0.00 1.80 1.54 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.30 1.49 7.81 136 I 7.83 3.90 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.15 1.00 0.00 0.00 137 R 8.51 3.92 0.00 1.99 2.01 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 138 A 8.25 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.55 4.27 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 0.00 140 L 7.51 4.04 0.00 1.67 1.43 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.