NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.8979 8.3544 109.7381 45.0173 0.0000 173.4664 -2 S 3.9370 8.6740 120.5596 57.7094 62.7950 171.6252 -1 H 4.4128 9.3228 126.4856 55.4400 30.9657 174.1622 -2 M 3.9470 8.6440 124.4596 54.8094 31.8950 173.3252 -1 G 3.6428 9.2328 117.0856 45.5400 0.0000 174.9622 3 I 4.4084 7.9179 118.7815 59.3802 39.9617 175.7279 4 Q 4.3020 8.5403 126.6599 54.4069 28.0226 174.7615 5 E 4.0848 8.7551 124.3276 59.2347 29.6757 177.8574 6 T 4.7674 7.5844 111.7953 61.4601 72.4326 172.9458 7 D 4.8062 8.3166 121.3799 50.7172 41.4595 174.0953 8 P 4.2080 0.0000 0.0000 62.5023 31.9626 175.4291 *14 L 3.9906 8.0860 118.1537 53.9421 42.8780 175.7797 15 P 4.5272 0.0000 0.0000 61.5269 32.1052 174.1428 16 P 4.4300 0.0000 0.0000 64.3521 31.6858 176.9876 17 G 3.8992 8.9776 110.0499 45.2252 0.0000 173.5843 18 F 4.3800 7.3689 117.6306 56.9099 39.4929 175.2052 19 R 4.6010 8.3168 123.1115 54.3267 34.0905 174.6194 20 F 4.5556 8.2765 121.7740 57.5668 39.1804 175.3820 21 Y 4.6567 7.6365 126.7749 55.4968 38.1690 173.5398 22 P 4.4028 0.0000 0.0000 62.0639 33.0111 177.9924 23 T 4.2329 8.2658 111.1768 61.3615 71.0712 175.5442 24 D 4.4667 8.6406 121.2762 57.6329 40.7563 178.8061 25 E 4.0301 8.1418 119.4040 59.2179 29.7489 178.5491 26 E 4.0083 8.2484 118.8111 59.2473 29.4509 179.2311 27 L 4.1006 7.8935 119.0909 58.0395 41.6551 179.5756 28 M 4.1475 7.9915 118.3532 58.5002 31.4687 179.0606 29 V 3.6495 8.0330 118.2907 65.9914 31.6564 177.8415 30 Q 4.1481 8.1494 115.7731 58.0417 29.0369 175.7192 31 Y 4.6994 7.9649 115.6655 59.3913 39.7129 177.4431 32 L 4.2987 8.8760 120.7040 58.8266 42.7171 179.3450 33 C 4.2296 8.7569 116.9485 63.0914 28.1058 176.4398 34 R 3.9695 7.6060 119.9327 59.1691 29.5911 179.1040 35 K 4.1862 8.4992 119.3260 59.4615 31.9537 178.8120 36 A 4.1656 8.1348 120.1722 54.9271 18.4450 178.7779 37 A 4.2784 8.1148 116.5963 52.5100 18.4921 178.2520 38 G 3.8261 7.8302 105.4036 45.9505 0.0000 173.8793 39 Y 3.9346 7.6735 116.8805 57.2728 38.3696 175.6034 40 D 4.6536 8.4256 122.4895 54.0770 42.1891 175.3120 41 F 4.8790 8.4625 121.5838 55.4186 41.9605 175.5798 42 S 4.3531 9.0653 121.2270 61.2968 62.7480 174.9367 43 L 4.8016 7.4987 116.3102 52.5066 45.2277 176.0157 44 Q 4.1231 8.6277 122.3317 56.0176 29.1565 174.9186 45 L 4.3659 8.5401 124.6733 55.9459 43.2723 176.7514 46 I 4.1444 7.3738 120.3938 59.4833 37.9283 175.5821 47 A 4.4274 8.2445 129.1948 51.2638 20.3485 175.7645 48 E 4.7400 8.5647 119.0545 56.2160 30.6587 176.1249 49 I 4.5272 9.1206 122.7464 60.1973 42.3764 173.4481 50 D 4.7535 8.8988 127.3446 52.8493 40.3800 176.8619 51 L 3.9771 8.6481 128.4525 57.7485 42.0935 178.8275 52 Y 4.4242 8.2132 114.7397 58.4232 37.9079 176.6917 53 K 4.1058 7.5585 119.0222 56.6969 32.5503 176.5563 54 F 4.8091 7.2059 116.9566 55.1098 42.7233 174.3963 55 D 3.6141 7.8863 122.7193 52.7391 41.3816 176.0180 56 P 3.6250 0.0000 0.0000 65.3398 30.5849 178.3724 57 W 3.4218 5.9229 114.0189 57.9615 28.4713 177.6786 58 V 3.7376 6.7010 112.7132 62.4908 31.2522 177.9518 59 L 3.4862 6.8969 119.4255 57.0636 41.5044 177.2391 60 P 2.9700 0.0000 0.0000 65.4422 30.7674 178.1721 61 N 4.4047 7.4575 113.9798 55.4361 38.5117 176.8282 62 K 4.1173 7.5298 118.0596 56.3589 31.7432 176.9753 63 A 4.1883 7.0769 122.3578 51.5389 18.9988 178.3999 64 L 4.0328 8.2767 121.4217 56.5100 42.1449 176.6827 65 F 4.6705 6.9214 111.8352 56.1326 40.6748 172.8483 66 G 3.9866 8.6439 108.9576 45.1242 0.0000 173.6962 67 E 4.5169 8.6147 122.5617 57.3008 30.6868 177.0922 68 K 4.2937 7.3434 113.1317 55.2442 34.4543 175.6628 69 E 4.4140 6.6602 117.4767 53.9502 34.0145 174.5399 70 W 4.7521 8.7450 121.4146 55.0072 33.4898 173.8576 71 Y 4.9027 7.7953 119.6704 56.3146 40.5566 174.8369 72 F 4.9029 8.7945 119.7288 56.1834 44.5804 173.1042 73 F 5.5625 9.0271 119.1875 56.1147 41.1315 175.0720 74 S 6.1774 9.2957 117.4299 54.6316 66.0885 171.3269 75 P 4.3765 0.0000 0.0000 62.6641 31.6863 176.1784 76 R 4.0982 8.3826 125.3076 56.2549 30.8331 175.4540 77 D 4.4949 8.6653 125.8581 53.9709 42.1087 176.8939 78 R 4.4903 8.2093 128.1741 54.7363 30.4638 174.6574 *86 P 4.0230 0.0000 0.0000 64.2317 33.1277 176.8746 87 N 5.0470 8.8543 119.8427 53.2733 36.1362 174.5898 88 R 4.0737 7.6406 119.4916 55.8926 31.4252 175.6361 89 V 4.3344 8.3989 125.0470 63.0085 32.5029 175.1908 90 A 5.2681 8.4044 128.7004 51.6297 22.8993 176.0998 91 G 3.6484 8.3217 113.2817 47.3401 0.0000 174.0042 92 S 4.7369 9.6942 120.7914 57.8789 63.6795 173.3364 93 G 3.7834 8.0812 109.4547 46.0691 0.0000 171.4563 94 Y 5.3845 7.3539 118.1878 55.8591 42.0402 173.9986 95 W 5.3703 9.3881 121.7064 55.4171 31.3999 174.9680 96 K 5.1428 9.3607 126.2908 54.2206 34.0405 175.2170 97 A 4.7218 8.8593 129.3358 52.8060 19.0134 176.1664 98 T 4.5046 8.5913 115.0566 61.5357 71.0979 175.5494 99 G 3.8863 8.6587 112.6023 45.6469 0.0000 172.2697 100 T 4.5597 8.2486 116.5819 61.4229 70.5132 173.7647 101 D 4.6605 8.7298 126.8225 54.4209 41.5950 175.6075 102 K 4.6206 8.7476 124.1956 54.7707 34.9656 174.7218 103 I 4.6745 8.2656 126.7865 60.3733 38.5864 174.9975 104 I 4.4692 9.0015 128.3028 60.1540 38.7671 175.0860 105 S 5.3182 8.7234 121.9478 57.0057 66.5851 173.5476 106 T 4.4485 8.7039 116.3361 61.5889 70.0493 173.9503 107 E 3.8819 9.9062 129.1318 57.6535 27.0201 175.4673 108 G 3.9426 8.3071 102.3321 45.9525 0.0000 173.1971 109 Q 4.6697 7.8446 118.9161 53.6095 31.0088 175.2002 110 R 4.5925 8.5403 121.6033 56.2744 30.9783 176.5592 111 V 4.4364 8.9720 115.6629 61.8556 35.0434 175.6593 112 G 4.6248 7.9781 105.3000 45.0837 0.0000 171.6727 113 I 5.0430 8.7970 121.1486 59.1392 40.4284 174.6336 114 K 4.5130 8.8361 128.3382 54.5593 34.0478 174.7498 115 K 5.0518 8.7470 128.3546 54.5074 35.3008 174.6230 116 A 5.0316 8.5472 128.6587 51.4080 20.6872 175.9111 117 L 5.4777 9.2750 120.3142 53.2095 46.9756 175.5547 118 V 5.2612 9.1913 120.0532 61.2687 35.2232 174.1104 119 F 4.3193 8.9417 129.7853 57.6830 40.5380 173.6285 120 Y 4.6092 7.7035 123.8380 56.0208 40.5422 174.8437 121 I 4.0203 7.9375 124.6308 61.3451 38.3194 174.1212 122 G 4.1528 8.5311 111.4364 44.0502 0.0000 172.0107 123 K 4.7566 8.7442 121.0153 53.9698 34.4542 176.3643 124 A 3.8884 8.1220 129.2656 51.7671 18.8364 175.3089 125 P 4.7177 0.0000 0.0000 63.0620 31.8490 176.0552 126 K 4.5378 8.3302 114.9971 57.2633 32.7883 177.0276 127 G 4.2597 7.9211 107.5017 45.9883 0.0000 173.5465 128 T 4.8660 8.2941 110.0373 59.0830 71.1423 173.9185 129 K 2.9653 8.6014 126.9296 56.7588 32.8749 175.4496 130 T 4.6379 7.8965 116.2196 59.8542 71.9425 173.3422 131 N 4.6637 8.5087 116.0915 53.3059 39.9449 174.9973 132 W 4.8394 8.1301 121.3254 56.4365 30.4320 175.4114 133 I 5.2935 8.9408 125.9542 59.6885 40.0781 174.2909 134 M 5.2211 9.0528 124.6041 54.0532 35.6368 173.7575 135 H 5.3637 9.3471 122.8352 54.1712 31.5341 172.8236 136 E 4.9840 9.5617 126.2457 54.8613 31.3985 174.0533 137 Y 5.1384 9.4295 126.4266 56.9038 39.9132 175.1717 138 R 5.2086 9.0459 119.5075 54.2541 33.5195 174.4011 139 L 4.7338 8.6627 120.7021 54.5600 42.4867 177.0767 140 I 4.0764 8.4169 124.7056 61.8259 37.6728 175.2357 141 E 4.7093 8.3330 121.8014 54.8484 31.8281 173.1052 142 P 4.5632 0.0000 0.0000 62.1456 32.5363 177.6488 143 S 4.2971 8.2046 115.5076 58.6184 60.8221 173.8572 *152 D 4.3088 7.6248 128.8903 55.1849 42.2159 175.9357 153 D 4.8155 7.1040 120.1635 52.4407 43.1598 175.2327 154 W 5.4795 8.7089 124.2149 54.8695 32.9608 175.3162 155 V 4.8196 9.2578 115.3345 59.8522 34.5312 174.4379 156 L 5.3445 8.9187 124.8696 53.6859 44.5966 174.8421 157 C 5.5854 9.2859 123.8123 58.0409 31.7505 172.8866 158 R 4.4152 9.0972 124.4769 55.2498 31.5592 174.8523 159 I 5.3397 8.8789 127.3198 59.9382 40.1867 174.2428 160 Y 5.4604 9.0276 123.2614 56.1282 42.0966 173.1358 161 K 4.2950 8.4304 121.1482 53.9035 33.5219 175.6387 162 K 4.0377 8.5364 130.0259 57.6240 33.0356 176.4850 163 Q 3.9560 8.6744 125.7223 56.6149 29.7901 172.9755 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 G 8.35 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 -2 S 8.67 3.94 0.00 3.93 3.81 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 -1 H 9.32 4.41 0.00 3.11 3.23 0.00 6.01 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 8.64 3.95 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 -1 G 9.23 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.92 4.41 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 1.30 0.71 0.92 0.00 0.00 4 Q 8.54 4.30 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 5 E 8.76 4.08 0.00 2.00 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 2.34 2.38 0.00 6 T 7.58 4.77 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 1.22 0.00 0.00 7 D 8.32 4.81 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.06 2.06 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 *14 L 8.09 3.99 0.00 1.66 1.69 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.53 0.00 2.50 2.08 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 16 P 0.00 4.43 0.00 2.06 2.02 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 17 G 8.98 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 18 F 7.37 4.38 0.00 3.28 2.99 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 19 R 8.32 4.60 0.00 1.86 1.58 0.00 3.32 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 20 F 8.28 4.56 0.00 2.64 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 21 Y 7.64 4.66 0.00 2.95 2.72 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 0.00 0.00 0.00 22 P 0.00 4.40 0.00 1.77 1.15 0.00 3.27 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 1.49 0.44 0.00 23 T 8.27 4.23 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 1.20 0.00 0.00 24 D 8.64 4.47 0.00 2.82 2.99 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 25 E 8.14 4.03 0.00 2.07 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 2.39 2.43 0.00 26 E 8.25 4.01 0.00 2.19 2.05 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 2.34 2.35 0.00 27 L 7.89 4.10 0.00 1.53 1.34 0.45 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.99 4.15 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.02 0.00 29 V 8.03 3.65 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 1.01 0.00 0.00 1.01 0.00 0.00 30 Q 8.15 4.15 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 31 Y 7.96 4.70 0.00 3.32 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 32 L 8.88 4.30 0.00 2.04 2.04 1.39 1.25 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 33 C 8.76 4.23 0.00 3.22 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 34 R 7.61 3.97 0.00 1.93 1.63 0.00 2.74 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 35 K 8.50 4.19 0.00 1.92 1.90 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.29 7.81 36 A 8.13 4.17 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 37 A 8.11 4.28 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.83 3.83 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 0.00 0.00 0.00 39 Y 7.67 3.93 0.00 3.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.43 4.65 0.00 2.62 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 41 F 8.46 4.88 0.00 2.99 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 42 S 9.07 4.35 0.00 3.88 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 43 L 7.50 4.80 0.00 1.55 1.50 0.86 0.87 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 44 Q 8.63 4.12 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 45 L 8.54 4.37 0.00 1.48 1.25 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.37 4.14 1.56 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.22 0.20 0.00 0.00 47 A 8.24 4.43 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 48 E 8.56 4.74 0.00 1.86 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 1.47 2.01 0.00 49 I 9.12 4.53 1.94 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 1.25 1.21 0.71 0.00 0.00 50 D 8.90 4.75 0.00 2.83 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 51 L 8.65 3.98 0.00 1.57 1.37 0.92 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.21 4.42 0.00 3.10 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 53 K 7.56 4.11 0.00 0.79 1.13 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 F 7.21 4.81 0.00 2.68 2.54 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 0.00 0.00 0.00 0.00 55 D 7.89 3.61 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 56 P 0.00 3.62 0.00 0.69 1.97 0.00 2.20 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 0.66 0.44 0.00 57 W 5.92 3.42 0.00 3.36 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 6.70 3.74 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 0.84 0.00 0.00 0.63 0.00 0.00 59 L 6.90 3.49 0.00 1.47 1.40 0.57 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 2.97 0.00 1.64 0.78 0.00 3.17 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.49 0.00 61 N 7.46 4.40 0.00 2.59 2.77 0.00 0.00 7.02 8.55 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 62 K 7.53 4.12 0.00 1.58 1.68 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.02 7.81 63 A 7.08 4.19 1.16 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 64 L 8.28 4.03 0.00 1.88 1.80 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 F 6.92 4.67 0.00 3.19 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 66 G 8.64 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 0.00 0.00 0.00 67 E 8.61 4.52 0.00 1.93 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 2.30 2.35 0.00 68 K 7.34 4.29 0.00 1.52 1.66 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.37 7.81 69 E 6.66 4.41 0.00 1.62 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 1.99 2.10 0.00 70 W 8.74 4.75 0.00 3.34 2.59 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 71 Y 7.80 4.90 0.00 2.39 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 72 F 8.79 4.90 0.00 2.96 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 73 F 9.03 5.56 0.00 2.66 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 74 S 9.30 6.18 0.00 4.10 3.92 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 75 P 0.00 4.38 0.00 1.92 1.73 0.00 3.92 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 76 R 8.38 4.10 0.00 1.86 1.95 0.00 3.33 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 77 D 8.67 4.49 0.00 2.54 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 78 R 8.21 4.49 0.00 1.77 1.84 0.00 3.43 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 *86 P 0.00 4.02 0.00 2.18 2.11 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 87 N 8.85 5.05 0.00 2.65 2.58 0.00 0.00 7.23 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 88 R 7.64 4.07 0.00 1.89 2.02 0.00 2.81 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 89 V 8.40 4.33 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 0.97 0.00 0.00 0.97 0.00 0.00 90 A 8.40 5.27 1.52 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 91 G 8.32 3.65 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 0.00 0.00 0.00 92 S 9.69 4.74 0.00 4.13 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 0.00 93 G 8.08 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 0.00 0.00 0.00 94 Y 7.35 5.38 0.00 3.17 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 95 W 9.39 5.37 0.00 3.62 3.29 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 96 K 9.36 5.14 0.00 1.96 1.90 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.45 1.61 7.81 97 A 8.86 4.72 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 98 T 8.59 4.50 4.38 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 1.37 0.00 0.00 99 G 8.66 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 0.00 0.00 0.00 100 T 8.25 4.56 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 1.22 0.00 0.00 101 D 8.73 4.66 0.00 2.57 2.61 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 0.00 0.00 0.00 0.00 102 K 8.75 4.62 0.00 1.82 1.60 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 103 I 8.27 4.67 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 1.36 0.99 0.94 0.00 0.00 104 I 9.00 4.47 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.28 1.02 0.00 0.00 105 S 8.72 5.32 0.00 3.73 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 0.00 106 T 8.70 4.45 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 1.24 0.00 0.00 107 E 9.91 3.88 0.00 2.12 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 2.23 2.29 0.00 108 G 8.31 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 0.00 109 Q 7.84 4.67 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 110 R 8.54 4.59 0.00 1.83 1.90 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 111 V 8.97 4.44 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 0.79 0.00 0.00 1.04 0.00 0.00 112 G 7.98 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.80 5.04 1.91 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 1.14 0.73 0.95 0.00 0.00 114 K 8.84 4.51 0.00 1.45 1.48 0.00 1.33 0.00 0.00 1.43 0.00 0.00 2.50 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.99 0.35 7.81 115 K 8.75 5.05 0.00 1.81 1.72 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 116 A 8.55 5.03 1.36 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 0.00 0.00 0.00 117 L 9.27 5.48 0.00 1.71 1.97 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.19 5.26 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 1.01 0.00 0.00 1.06 0.00 0.00 119 F 8.94 4.32 0.00 1.51 2.54 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 0.00 0.00 0.00 0.00 120 Y 7.70 4.61 0.00 1.43 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 0.00 0.00 0.00 121 I 7.94 4.02 1.88 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 1.61 0.91 1.00 0.00 0.00 122 G 8.53 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 0.00 0.00 0.00 123 K 8.74 4.76 0.00 1.78 1.66 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.35 7.81 124 A 8.12 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.72 0.00 2.10 2.00 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 126 K 8.33 4.54 0.00 1.85 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.33 7.81 127 G 7.92 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 0.00 128 T 8.29 4.87 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 0.00 129 K 8.60 2.97 0.00 1.30 1.50 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 0.87 7.81 130 T 7.90 4.64 4.45 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 0.00 0.00 0.00 1.37 0.00 0.00 131 N 8.51 4.66 0.00 2.44 2.76 0.00 0.00 6.86 7.68 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 0.00 132 W 8.13 4.84 0.00 3.27 3.23 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 0.00 133 I 8.94 5.29 0.73 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 0.84 0.84 0.98 0.00 0.00 134 M 9.05 5.22 0.00 1.31 0.59 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 135 H 9.35 5.36 0.00 3.26 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.56 4.98 0.00 2.00 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 2.31 2.37 0.00 137 Y 9.43 5.14 0.00 3.21 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 0.00 138 R 9.05 5.21 0.00 1.93 2.08 0.00 2.82 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 139 L 8.66 4.73 0.00 1.66 1.73 1.05 0.97 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 0.00 140 I 8.42 4.08 1.92 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 1.34 0.82 0.94 0.00 0.00 141 E 8.33 4.71 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 142 P 0.00 4.56 0.00 2.21 2.10 0.00 3.79 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 1.99 1.96 0.00 143 S 8.20 4.30 0.00 4.00 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 *152 D 7.62 4.31 0.00 2.74 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 0.00 153 D 7.10 4.82 0.00 2.69 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 0.00 0.00 0.00 0.00 154 W 8.71 5.48 0.00 3.24 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 0.00 155 V 9.26 4.82 2.36 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 0.85 0.00 0.00 1.22 0.00 0.00 156 L 8.92 5.34 0.00 2.02 1.72 0.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 157 C 9.29 5.59 0.00 2.99 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 0.00 158 R 9.10 4.42 0.00 1.71 1.92 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.12 0.00 159 I 8.88 5.34 2.33 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 1.32 0.00 0.00 160 Y 9.03 5.46 0.00 3.10 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 0.00 161 K 8.43 4.30 0.00 0.79 1.30 0.00 1.22 0.00 0.00 1.34 0.00 0.00 2.33 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.78 0.21 7.81 162 K 8.54 4.04 0.00 1.83 1.64 0.00 1.98 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.51 7.81 163 Q 8.67 3.96 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.