NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2615 8.4445 119.1134 53.9062 29.6993 175.7771 4 L 3.8128 7.7214 119.6473 54.4406 41.4155 178.1744 5 T 4.2941 8.2143 116.9006 60.5957 70.3589 175.1094 6 E 3.9738 8.5906 122.1681 59.6623 29.0607 178.5206 7 E 3.8815 8.2946 120.6231 58.9414 29.3881 178.4425 8 Q 4.1160 7.6003 116.6175 58.4340 29.1386 177.8688 9 I 4.3033 8.6679 121.7536 64.0311 37.7276 177.4162 10 A 4.0727 8.1458 121.1328 55.6472 18.0341 179.1434 11 E 3.8668 7.8830 115.6244 59.6729 29.2278 179.4088 12 F 4.6875 7.8887 116.2998 59.2676 39.1159 176.2931 13 K 4.4613 7.8352 116.5504 58.1775 34.0077 177.5602 14 E 3.9994 8.7407 118.8389 59.7414 29.3588 179.7604 15 A 4.0296 8.6643 120.5462 55.2898 18.3528 179.3164 16 F 3.6862 7.5482 118.1162 61.4213 39.4508 177.4027 17 S 4.1354 8.9133 114.9800 61.5665 62.6816 176.1395 18 L 3.3972 7.4781 121.2270 57.4830 41.6395 177.5753 19 F 4.4615 7.6167 115.1714 57.0674 39.2153 175.7078 20 D 4.3828 8.3614 124.2031 51.8151 38.9573 175.8131 21 K 3.6171 7.7371 124.5168 59.6059 33.3144 177.5672 22 D 4.5491 8.2636 118.1270 59.2064 37.8547 178.9839 23 G 3.9850 6.8721 104.6488 47.6199 0.0000 174.7538 24 D 4.3444 10.2223 119.3986 53.3854 38.6908 176.1080 25 G 4.0649 7.2523 108.7709 44.4780 0.0000 172.7543 26 T 4.9873 8.1821 109.1604 59.3176 71.5280 173.1373 27 I 4.6781 8.1447 116.1389 58.7860 40.4078 176.5284 28 T 4.3543 9.2507 113.7381 61.8526 71.0195 174.9263 29 T 3.9198 8.2781 116.1470 67.1357 68.8973 176.9890 30 K 3.8938 8.0418 119.7535 59.7276 31.8323 179.0520 31 E 3.9866 8.4889 118.3036 59.1012 29.5250 178.9444 32 L 4.0997 7.7859 120.3628 58.2920 42.0611 179.0922 33 G 3.9542 8.0295 104.6274 48.5556 0.0000 175.2171 34 T 4.1293 7.8001 117.3371 65.6922 68.4351 177.1019 35 V 2.7778 7.4877 116.7375 64.3406 31.0717 177.4609 *37 R 5.0752 8.0775 115.9493 56.5482 31.9323 177.5770 38 S 3.8509 7.8002 111.4192 61.6241 62.6495 175.6767 39 L 4.0042 7.3934 117.7407 55.3346 41.1914 177.5556 40 G 3.8463 9.1363 108.3122 45.7925 0.0000 173.1075 41 Q 4.7624 7.2303 119.4349 55.0573 31.8620 173.9732 42 N 4.6766 8.0012 110.2734 52.2208 37.5249 172.4057 43 P 4.4688 0.0000 0.0000 62.9106 32.5705 176.7310 44 T 4.2987 8.2207 109.2843 60.9244 69.9348 175.7460 45 E 3.8282 8.7466 122.7826 59.5683 29.6850 178.6360 46 A 4.3580 7.8907 120.0903 53.7987 19.7031 178.4649 47 E 4.0959 8.2891 115.6254 58.4226 29.6626 178.1919 48 L 4.1309 7.8228 119.5969 58.0062 42.0569 178.3645 49 Q 4.2276 8.0009 118.3265 58.5927 27.8210 177.7467 50 D 4.2656 7.7404 120.2349 55.8879 42.0803 178.8951 *52 I 4.0281 7.9686 120.4416 61.1433 39.4776 176.9378 53 N 4.0760 9.0456 117.9988 56.6931 38.6732 174.3375 54 E 4.4738 7.4069 116.6743 55.9388 29.8743 177.1277 55 V 4.2496 8.3101 112.8131 61.2349 35.4670 174.4940 56 D 4.9825 8.6086 127.5633 53.7744 41.3039 176.5928 57 A 4.8016 7.9353 116.3418 52.3812 19.5878 177.4848 58 D 4.7500 8.1803 116.4177 55.1781 42.0056 174.6189 59 G 3.6581 8.5421 110.6735 45.5930 0.0000 173.0909 60 N 5.0608 8.0238 123.1012 56.5316 38.3054 175.1523 61 G 4.2423 9.1322 115.7809 45.7691 0.0000 172.8908 62 T 4.2934 7.8938 108.6387 61.7060 70.4562 171.9657 63 I 4.5665 8.0351 122.3786 59.2730 40.0520 175.4237 64 D 5.2621 8.0276 123.0059 52.1234 43.1303 176.4313 65 F 3.1728 9.0952 116.4787 60.5825 38.9997 175.6131 66 P 4.1699 0.0000 0.0000 66.0930 31.1214 178.7587 67 E 3.5104 10.2153 115.8946 59.0716 29.3508 179.0564 68 F 4.4695 7.2494 119.4616 60.4277 39.9231 176.7682 69 L 3.6845 8.1008 119.1355 57.5696 42.4732 177.7408 70 T 3.7875 8.0524 117.1381 62.8792 66.1116 174.1487 *73 A 4.1591 7.5696 127.0741 51.2408 20.9458 179.8814 74 R 3.6812 6.6054 114.1362 58.1502 31.3663 178.8375 75 K 4.3742 7.6867 117.9761 56.3897 32.8206 176.4955 *77 K 4.4583 7.8597 114.4786 55.2803 33.3769 174.7155 78 D 4.8041 7.9962 116.6990 55.5440 47.3800 175.0580 79 T 3.9988 7.0186 110.9357 62.8105 67.9047 174.1897 80 D 4.6813 8.4079 124.2681 54.4353 44.2568 177.3795 81 S 4.3062 8.3007 118.1524 61.3551 62.6400 175.6152 82 E 3.9362 8.3107 121.8458 59.0970 29.3871 178.3908 83 E 4.1422 8.0737 118.8067 59.1046 29.8147 177.9459 84 E 3.9872 8.2489 118.0673 59.9478 29.6265 179.2818 85 I 3.4664 7.8184 119.3217 64.7188 37.2790 178.1469 86 R 4.4119 8.2650 118.9125 58.6474 29.6999 177.9360 87 E 4.2259 8.1132 116.8963 58.3682 30.2131 177.8950 88 A 4.3491 9.0599 122.2563 55.2948 18.5368 179.0728 89 F 3.2272 8.4647 118.9342 61.6576 39.1943 177.6202 90 R 3.9242 7.9070 115.3986 58.8582 29.8225 179.1397 91 V 3.6675 7.5420 117.6802 66.1237 31.7244 177.9149 92 F 4.1676 8.2189 115.2357 59.0913 39.7807 176.2627 93 D 4.6166 7.5700 119.6148 52.5894 38.2374 176.4493 94 K 4.0629 8.2413 121.6889 58.1788 32.6265 177.7444 95 D 4.6046 7.7957 116.6031 52.7368 40.0007 177.2581 96 G 3.9110 8.3836 108.4189 46.0094 0.0000 174.1367 97 N 4.5454 8.3071 115.8633 52.9549 37.9428 176.1765 98 G 3.9676 9.0301 107.6869 45.5853 0.0000 172.6505 99 Y 5.1634 7.5900 115.1657 56.1257 42.2410 174.8895 100 I 4.7020 8.9604 123.2510 59.8323 39.4108 175.0911 101 S 4.8358 9.2450 122.6192 56.7780 64.9571 175.3138 102 A 4.0642 8.8892 123.0646 55.3980 17.9209 180.0789 103 A 3.9614 8.0016 119.0195 55.4325 18.6124 179.4075 104 E 4.1485 7.8516 114.4121 58.8278 29.6331 178.4944 105 L 4.1589 8.1724 122.0385 57.8522 42.3068 177.9962 106 R 4.0552 8.1225 118.7120 60.8178 30.1635 177.1875 107 H 4.2281 8.4168 117.9504 58.3338 29.4625 176.9509 108 V 3.3283 8.1095 122.2660 62.7521 31.6414 178.4485 *110 T 4.6105 7.8248 108.2362 61.6397 70.7572 175.5790 111 N 4.2040 7.6856 118.5983 56.0899 38.5526 175.8215 112 L 4.1670 7.4206 114.4558 55.0833 41.6466 177.0099 113 G 3.7584 9.2858 107.7274 46.2921 0.0000 173.2210 114 E 4.4580 8.0196 119.8610 53.5757 31.5923 174.8070 115 K 4.1822 8.7075 126.4317 56.0492 31.7358 176.1143 116 L 4.7158 8.1328 123.9809 52.7369 44.2208 176.4819 117 T 4.1079 8.3901 117.3929 61.5966 67.8622 174.8694 118 D 4.4164 8.8850 128.4964 57.6537 41.7296 178.5442 119 E 3.9570 8.2290 118.7834 59.5622 29.6584 179.0186 120 E 4.0881 8.1034 112.8543 57.3946 29.1254 177.3272 121 V 4.2146 7.9046 118.1711 64.7097 33.2469 177.6526 122 D 4.4304 7.6028 119.1105 57.2495 41.0943 178.1606 123 Q 4.3401 7.9677 118.8477 56.8742 28.9081 177.1502 *125 I 4.1114 7.7676 118.8752 61.3531 39.3705 177.8378 126 R 3.8295 7.8671 119.9490 59.4666 29.8891 178.0459 127 E 4.0602 8.0355 115.9093 57.8526 29.6438 176.8244 128 A 4.4475 7.4583 119.4209 52.8452 20.1707 176.4112 129 D 4.8245 7.8699 116.4209 53.7809 41.8292 175.6788 130 I 4.2727 9.0166 127.8046 62.5388 38.6306 176.5234 131 D 4.4686 8.4105 117.1330 53.5673 39.9311 177.1644 132 G 3.8981 8.4960 107.9821 46.0865 0.0000 172.9920 133 D 4.6434 8.2743 117.6526 52.8380 39.5155 178.7061 134 G 4.0413 8.9306 111.0345 45.9739 0.0000 173.7903 135 Q 4.7961 7.5928 115.9274 54.5029 31.7498 175.2888 136 V 4.8863 8.3771 112.3749 59.6830 34.5521 175.7849 137 N 5.1165 9.5280 123.4208 51.5054 39.8422 175.3962 138 Y 2.9137 8.1678 119.1735 60.9477 38.4259 177.6747 139 E 3.7003 8.0161 118.3189 59.5696 29.3460 178.7888 140 E 3.9322 9.9393 118.3918 59.6438 29.7350 179.2495 141 F 4.2418 8.3542 119.6439 61.4924 39.6134 176.8140 142 V 3.5670 8.0239 116.9747 65.6717 32.6527 177.6108 143 Q 4.1777 7.7728 118.6196 55.7842 24.0086 176.4310 *146 T 4.0475 7.4814 112.6055 61.3135 71.1546 175.3792 147 A 3.8086 7.7163 124.7517 52.0992 18.6284 177.2861 148 K 4.1204 8.5759 122.8928 56.5207 32.3254 175.7982 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 8.44 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.72 3.81 0.00 1.73 1.53 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.21 4.29 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 1.26 0.00 0.00 6 E 8.59 3.97 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 7 E 8.29 3.88 0.00 2.07 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 2.39 2.40 0.00 8 Q 7.60 4.12 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 9 I 8.67 4.30 2.11 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 1.87 1.36 1.00 0.00 0.00 10 A 8.15 4.07 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 11 E 7.88 3.87 0.00 1.73 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 2.26 2.46 0.00 12 F 7.89 4.69 0.00 3.34 3.41 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 0.00 0.00 0.00 0.00 13 K 7.84 4.46 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.82 7.81 14 E 8.74 4.00 0.00 2.22 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 2.41 2.56 0.00 15 A 8.66 4.03 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 16 F 7.55 3.69 0.00 2.87 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 17 S 8.91 4.14 0.00 4.01 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 18 L 7.48 3.40 0.00 2.09 2.19 1.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.62 4.46 0.00 2.92 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 20 D 8.36 4.38 0.00 2.33 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.74 3.62 0.00 1.82 1.66 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.48 7.81 22 D 8.26 4.55 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 6.87 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 0.00 0.00 0.00 24 D 10.22 4.34 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.25 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 26 T 8.18 4.99 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 27 I 8.14 4.68 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 -0.05 0.00 0.00 28 T 9.25 4.35 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 1.24 0.00 0.00 29 T 8.28 3.92 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 1.22 0.00 0.00 30 K 8.04 3.89 0.00 1.83 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 31 E 8.49 3.99 0.00 1.91 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 2.45 2.28 0.00 32 L 7.79 4.10 0.00 1.87 1.86 1.10 1.53 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 33 G 8.03 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 34 T 7.80 4.13 4.41 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 0.00 0.00 0.00 1.33 0.00 0.00 35 V 7.49 2.78 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 0.88 0.00 0.00 0.69 0.00 0.00 *37 R 8.08 5.08 0.00 1.99 1.95 0.00 3.48 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 S 7.80 3.85 0.00 3.84 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 39 L 7.39 4.00 0.00 1.60 1.73 0.79 1.00 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 40 G 9.14 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 41 Q 7.23 4.76 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.00 4.68 0.00 2.77 2.78 0.00 0.00 5.93 7.75 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 43 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.22 4.30 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 1.24 0.00 0.00 45 E 8.75 3.83 0.00 1.98 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 0.00 2.33 2.36 0.00 46 A 7.89 4.36 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 47 E 8.29 4.10 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 48 L 7.82 4.13 0.00 1.87 1.80 0.95 0.59 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 49 Q 8.00 4.23 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 50 D 7.74 4.27 0.00 2.78 2.70 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 0.00 0.00 0.00 0.00 *52 I 7.97 4.03 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.41 1.01 0.00 0.00 53 N 9.05 4.08 0.00 2.51 2.98 0.00 0.00 7.34 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 54 E 7.41 4.47 0.00 2.29 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 2.31 2.31 0.00 55 V 8.31 4.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.07 0.00 0.00 56 D 8.61 4.98 0.00 2.70 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.94 4.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.18 4.75 0.00 2.84 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 59 G 8.54 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 0.00 0.00 0.00 60 N 8.02 5.06 0.00 2.71 2.87 0.00 0.00 7.47 7.65 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 61 G 9.13 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 62 T 7.89 4.29 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 1.23 0.00 0.00 63 I 8.04 4.57 1.97 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 1.61 0.85 0.98 0.00 0.00 64 D 8.03 5.26 0.00 3.23 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 65 F 9.10 3.17 0.00 2.95 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 66 P 0.00 4.17 0.00 2.29 2.08 0.00 4.02 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 67 E 10.22 3.51 0.00 2.24 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 2.41 2.75 0.00 68 F 7.25 4.47 0.00 2.79 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 69 L 8.10 3.68 0.00 1.66 1.72 0.68 1.07 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 70 T 8.05 3.79 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 1.15 0.00 0.00 *73 A 7.57 4.16 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 74 R 6.61 3.68 0.00 1.78 1.89 0.00 3.34 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 75 K 7.69 4.37 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *77 K 7.86 4.46 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 78 D 8.00 4.80 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.02 4.00 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 1.34 0.00 0.00 80 D 8.41 4.68 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.31 0.00 4.07 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 0.00 82 E 8.31 3.94 0.00 2.02 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 2.38 2.50 0.00 83 E 8.07 4.14 0.00 2.24 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 2.31 2.41 0.00 84 E 8.25 3.99 0.00 2.30 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 2.45 2.53 0.00 85 I 7.82 3.47 2.01 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 1.46 0.82 1.11 0.00 0.00 86 R 8.26 4.41 0.00 1.98 2.17 0.00 2.93 0.00 0.00 2.86 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 87 E 8.11 4.23 0.00 2.18 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 2.31 2.68 0.00 88 A 9.06 4.35 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.46 3.23 0.00 2.83 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 R 7.91 3.92 0.00 1.90 2.01 0.00 3.23 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 91 V 7.54 3.67 2.39 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 0.60 0.00 0.00 0.98 0.00 0.00 92 F 8.22 4.17 0.00 2.68 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 93 D 7.57 4.62 0.00 2.15 2.19 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 94 K 8.24 4.06 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.56 7.81 95 D 7.80 4.60 0.00 2.95 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 96 G 8.38 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 97 N 8.31 4.55 0.00 3.07 3.11 0.00 0.00 6.29 7.00 0.00 0.00 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 G 9.03 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 0.00 0.00 0.00 99 Y 7.59 5.16 0.00 3.03 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 0.00 100 I 8.96 4.70 2.04 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.77 0.97 0.00 0.00 101 S 9.25 4.84 0.00 3.91 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 0.00 102 A 8.89 4.06 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 0.00 103 A 8.00 3.96 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 0.00 104 E 7.85 4.15 0.00 2.36 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 0.00 2.43 2.40 0.00 105 L 8.17 4.16 0.00 1.73 1.94 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.12 4.06 0.00 1.93 2.28 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 107 H 8.42 4.23 0.00 3.41 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.11 3.33 1.67 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 0.30 0.00 0.00 0.74 0.00 0.00 *110 T 7.82 4.61 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 1.32 0.00 0.00 111 N 7.69 4.20 0.00 2.59 2.86 0.00 0.00 7.09 7.73 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 0.00 112 L 7.42 4.17 0.00 1.65 1.69 0.85 0.88 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 0.00 113 G 9.29 3.76 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 0.00 0.00 0.00 114 E 8.02 4.46 0.00 2.03 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 2.28 2.36 0.00 115 K 8.71 4.18 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.13 4.72 0.00 1.63 1.58 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.39 4.11 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 1.26 0.00 0.00 118 D 8.88 4.42 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.23 3.96 0.00 2.08 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 2.33 2.43 0.00 120 E 8.10 4.09 0.00 2.01 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 2.35 2.26 0.00 121 V 7.90 4.21 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 7.60 4.43 0.00 2.94 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 0.00 123 Q 7.97 4.34 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *125 I 7.77 4.11 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.97 0.00 0.00 126 R 7.87 3.83 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 127 E 8.04 4.06 0.00 2.00 1.96 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 2.31 2.25 0.00 128 A 7.46 4.45 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 0.00 129 D 7.87 4.82 0.00 2.85 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 0.00 130 I 9.02 4.27 1.88 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 1.35 0.91 0.91 0.00 0.00 131 D 8.41 4.47 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.50 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 0.00 0.00 0.00 133 D 8.27 4.64 0.00 2.79 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 0.00 134 G 8.93 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.59 4.80 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 136 V 8.38 4.89 2.30 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 0.87 0.00 0.00 1.14 0.00 0.00 137 N 9.53 5.12 0.00 2.65 3.03 0.00 0.00 6.20 7.26 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 0.00 138 Y 8.17 2.91 0.00 2.09 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 0.00 139 E 8.02 3.70 0.00 2.20 1.88 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 2.36 2.38 0.00 140 E 9.94 3.93 0.00 2.16 2.31 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 2.38 2.52 0.00 141 F 8.35 4.24 0.00 3.14 3.10 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 0.00 0.00 0.00 142 V 8.02 3.57 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 0.73 0.00 0.00 -0.10 0.00 0.00 143 Q 7.77 4.18 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 *146 T 7.48 4.05 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 147 A 7.72 3.81 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.58 4.12 0.00 1.69 1.65 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.