NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5848 8.3649 119.5421 52.9229 41.3138 176.0814 2 I 4.2937 7.3093 120.6920 59.6896 41.5030 173.9600 3 E 4.4929 9.5511 129.5108 54.3532 30.9054 173.9046 4 L 4.6068 8.1377 124.4447 54.5515 43.3394 175.9855 5 T 4.4915 8.8249 121.0113 61.5784 71.3975 173.7201 6 Q 4.5164 8.7323 125.8146 56.1359 29.2694 176.5628 7 S 4.2070 9.1853 118.4437 60.5218 63.0819 173.6888 8 P 4.5984 0.0000 0.0000 61.4284 30.0245 176.5986 9 D 4.5164 8.5226 124.1153 57.5647 41.0959 177.9643 10 S 5.3304 7.3813 112.6996 57.7423 65.0734 172.1204 11 L 3.9234 8.2906 123.6678 55.4000 43.1958 175.4561 12 A 4.9449 8.6268 130.4869 50.0429 17.7989 175.1201 13 V 4.5527 7.9905 117.7284 59.5093 34.7418 176.9387 14 S 4.6479 8.3975 117.6651 56.7183 64.9186 173.0560 15 L 4.0643 8.3591 119.8609 56.5456 41.5702 177.3868 16 G 3.9517 9.0954 109.4488 46.4783 0.0000 173.0819 17 Q 4.8544 7.3417 117.1917 52.7916 32.5026 174.9331 18 R 4.0680 8.5212 116.0035 56.8025 30.0796 175.7428 19 A 4.7798 8.6051 122.4808 50.6160 22.4687 175.0503 20 T 4.8278 8.5366 112.6693 60.0014 71.5890 174.9576 21 I 4.7710 7.9769 119.0126 58.9676 37.1022 174.5578 22 S 4.5835 8.1626 124.7587 59.6344 64.8690 174.7530 23 C 5.1896 9.2186 123.2517 56.7019 47.8004 174.0047 24 R 5.7152 9.3602 126.8236 55.1456 31.5982 171.5162 25 A 4.9451 8.0493 119.3953 50.5609 22.0994 177.2477 26 S 4.1731 8.0522 117.8096 59.1858 60.7281 174.9401 *27 E 4.1293 8.3039 120.0111 55.8470 31.6012 175.9489 *30 D 4.5309 8.0155 118.3005 52.6214 41.4480 174.3737 31 S 4.2026 8.4724 110.3317 60.8315 63.0755 173.5188 32 Y 4.5695 8.8757 117.8860 58.1031 40.9406 174.6092 33 G 3.9322 9.1808 115.8534 45.4522 0.0000 171.4758 34 N 4.9029 8.1593 115.3874 52.5164 40.7263 174.4266 35 S 4.7098 7.5685 111.8047 57.7774 65.5500 174.7227 36 F 5.2934 8.5407 119.6765 56.1486 42.5414 174.5076 37 M 4.5526 8.7960 122.7176 55.5009 33.9952 174.5105 38 Q 4.7359 8.4512 119.9264 54.2959 34.2216 173.7735 39 W 4.9738 8.8139 121.5459 55.2834 31.9179 174.2546 40 Y 5.2790 9.6905 122.9548 56.2352 41.1059 174.9159 41 Q 4.9275 8.8991 123.9246 54.7108 31.4019 173.7827 42 Q 4.8968 8.3257 130.5681 54.7727 32.0714 175.0077 43 K 4.9133 8.1473 125.9852 52.1037 36.8294 173.4583 44 P 4.0762 0.0000 0.0000 66.7411 31.1362 175.2221 45 G 4.3276 9.0626 116.5120 45.9645 0.0000 173.2034 46 Q 4.4469 7.5474 118.7822 53.2268 30.1096 173.9584 47 P 4.6914 0.0000 0.0000 61.6907 32.2034 174.1921 48 P 4.4703 0.0000 0.0000 63.4930 32.2415 175.8120 49 K 4.1536 8.5202 120.8198 54.4723 34.9129 174.8208 50 L 3.3885 8.0472 130.1857 55.9672 42.0199 176.3347 51 L 4.2221 9.6112 128.4632 56.3057 41.9896 176.3030 52 I 4.9801 7.5869 110.9499 59.4071 40.6706 173.8693 53 Y 4.7036 8.4623 123.4542 56.3169 40.4171 176.2572 54 R 3.9457 8.6807 117.8968 56.7125 28.7380 177.6544 55 A 4.4351 8.8158 122.8407 55.2258 19.2553 178.1663 56 S 4.7772 7.7807 106.2225 58.0939 64.7023 173.9504 57 N 4.3995 7.6125 117.2627 52.8955 38.7809 173.5452 58 L 5.0707 7.4857 119.4618 53.7053 44.2738 175.8289 59 E 4.5207 8.7374 119.2916 56.3827 31.0337 176.2029 60 S 4.4034 8.4875 117.7270 59.3266 63.3134 174.8743 61 G 4.0454 9.3471 112.4640 45.1823 0.0000 173.3421 62 I 4.4081 6.8526 119.2936 58.5463 38.6077 173.8514 63 P 4.3775 0.0000 0.0000 62.6997 31.3014 175.9771 64 A 4.0328 8.5351 122.7034 55.4832 17.9383 179.0526 65 R 3.4451 7.4785 110.9570 58.9656 29.5705 179.0561 66 F 4.1167 7.2507 115.6260 57.5094 39.6489 175.4732 67 S 4.7781 8.7379 120.5872 57.0311 67.6300 173.3145 68 G 5.0735 8.4481 107.5688 45.1747 0.0000 171.9267 69 T 4.7218 7.7584 113.8034 59.9720 70.8320 173.0224 70 G 4.4271 8.1187 116.6595 47.0923 0.0000 171.6894 71 S 4.5115 8.1311 111.0863 59.2915 64.8460 173.7280 72 R 4.1910 6.9648 115.4332 55.6661 32.3354 176.2922 73 T 4.2350 7.4460 112.1950 62.8586 70.3665 172.7707 74 D 5.1832 7.8851 120.8246 52.4050 41.6815 174.4764 75 F 5.4647 9.6173 124.0421 55.8941 41.6487 174.8851 76 T 4.7089 8.8538 119.1031 61.8425 72.0137 173.3696 77 L 4.3168 7.5593 126.6038 53.6373 41.9851 175.0402 78 T 5.1486 8.5483 120.9334 60.4147 69.0237 173.3485 79 I 4.3664 7.9489 127.0555 59.6957 40.2479 175.4698 80 N 4.1972 9.1985 126.0753 54.5432 38.8310 173.7911 81 P 4.6650 0.0000 0.0000 60.9069 32.4424 173.9988 82 V 3.7594 8.0474 126.6715 63.0211 32.8842 174.8778 83 E 4.9324 8.4768 125.2532 54.0702 32.9849 176.9296 84 A 4.0954 8.6352 122.5623 55.4370 18.5683 178.6207 85 D 4.5222 8.0093 114.4250 57.1050 41.5856 175.7919 86 D 4.7923 7.4905 117.4864 54.6132 40.8860 177.5262 87 V 3.8093 7.6695 120.5042 62.4591 30.6324 173.9594 88 A 4.2162 7.3720 127.7521 51.8455 22.4638 174.2867 89 T 4.4000 7.4398 113.9327 63.1198 70.5926 174.1941 90 Y 5.3205 8.5564 122.7331 56.7045 40.9836 173.9423 91 Y 5.7312 9.3855 122.7125 55.9272 40.1708 173.3368 92 C 4.4614 8.7367 118.5716 54.6331 43.7845 171.8163 93 Q 4.5046 7.8558 118.8167 55.5010 32.7344 172.8392 94 Q 4.5880 7.8725 123.6397 54.5260 32.6150 173.6597 95 S 4.2604 8.9744 123.9447 57.8660 64.0403 173.7322 96 D 4.5740 7.5936 125.1166 54.2541 42.8011 176.3453 97 E 3.9484 8.6225 123.4662 58.5647 28.1713 177.1484 98 Y 4.3263 9.1778 117.8194 59.1910 39.9714 175.7894 99 P 4.3469 0.0000 0.0000 60.2329 30.1357 175.3983 100 Y 3.8919 7.4357 117.8166 58.8519 39.3556 174.9467 101 M 3.8968 6.7371 123.9286 55.1250 35.7217 172.7466 102 Y 4.4687 8.4659 121.3015 56.4831 40.2150 175.2007 103 T 4.7159 7.9851 119.1596 61.6396 72.4420 173.1805 104 F 5.1553 8.8375 121.5239 55.9279 42.3635 175.3609 105 G 3.8157 8.3581 106.4273 44.9641 0.0000 173.6276 106 G 3.9853 8.1182 105.7682 43.8171 0.0000 173.5035 107 G 4.6403 8.3404 111.1759 44.6132 0.0000 173.4175 108 T 4.9452 8.0899 115.7650 59.2213 67.1056 175.1449 109 K 3.8237 7.6819 122.6653 57.4951 33.6473 175.2558 110 L 5.1039 8.2796 130.0001 53.4563 43.7661 175.3323 111 E 4.7298 8.5480 123.8920 54.2814 32.2995 174.7971 112 I 4.5524 8.3219 118.9502 59.3647 38.7204 175.9400 113 K 4.0354 9.0884 129.0670 57.4216 32.5336 177.9030 114 R 4.0853 8.4383 122.4723 56.2124 29.2217 172.5165 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 1 D 8.36 4.58 0.00 2.71 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 2 I 7.31 4.29 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.83 0.00 0.00 3 E 9.55 4.49 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 4 L 8.14 4.61 0.00 1.50 1.52 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.82 4.49 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 6 Q 8.73 4.52 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.08 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 7 S 9.19 4.21 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.60 0.00 2.29 2.05 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 9 D 8.52 4.52 0.00 2.69 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 10 S 7.38 5.33 0.00 3.72 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 11 L 8.29 3.92 0.00 1.82 1.61 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.63 4.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.99 4.55 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 0.84 0.00 0.00 0.98 0.00 0.00 14 S 8.40 4.65 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.36 4.06 0.00 1.65 1.65 0.92 0.85 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 16 G 9.10 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 17 Q 7.34 4.85 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 18 R 8.52 4.07 0.00 1.80 1.98 0.00 2.99 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 19 A 8.61 4.78 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 20 T 8.54 4.83 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 21 I 7.98 4.77 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.31 1.00 0.00 0.00 22 S 8.16 4.58 0.00 3.93 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 23 C 9.22 5.19 0.00 3.14 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 24 R 9.36 5.72 0.00 1.54 1.77 0.00 3.24 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 25 A 8.05 4.95 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 26 S 8.05 4.17 0.00 3.92 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 *27 E 8.30 4.13 0.00 1.77 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 2.37 0.00 *30 D 8.02 4.53 0.00 2.72 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 31 S 8.47 4.20 0.00 3.97 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 32 Y 8.88 4.57 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.18 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.16 4.90 0.00 2.56 2.51 0.00 0.00 6.37 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 35 S 7.57 4.71 0.00 3.73 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 36 F 8.54 5.29 0.00 3.05 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 37 M 8.80 4.55 0.00 1.66 0.81 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.21 0.00 38 Q 8.45 4.74 0.00 1.67 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.58 0.00 39 W 8.81 4.97 0.00 3.31 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 40 Y 9.69 5.28 0.00 3.05 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 41 Q 8.90 4.93 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.78 0.00 42 Q 8.33 4.90 0.00 1.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.45 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 43 K 8.15 4.91 0.00 1.50 1.59 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.22 7.81 44 P 0.00 4.08 0.00 2.16 2.13 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 45 G 9.06 4.33 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 0.00 46 Q 7.55 4.45 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 47 P 0.00 4.69 0.00 1.90 1.97 0.00 3.67 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 2.01 2.07 0.00 48 P 0.00 4.47 0.00 2.12 2.02 0.00 3.71 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 2.00 2.02 0.00 49 K 8.52 4.15 0.00 1.79 1.55 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.29 7.81 50 L 8.05 3.39 0.00 0.81 1.27 1.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 51 L 9.61 4.22 0.00 1.74 1.37 -0.05 -0.60 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 I 7.59 4.98 2.04 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 1.63 1.39 0.91 0.00 0.00 53 Y 8.46 4.70 0.00 3.11 3.04 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 54 R 8.68 3.95 0.00 1.97 1.77 0.00 2.98 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.16 0.00 55 A 8.82 4.44 1.51 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 0.00 0.00 56 S 7.78 4.78 0.00 3.84 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 57 N 7.61 4.40 0.00 2.35 1.77 0.00 0.00 6.32 6.62 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 58 L 7.49 5.07 0.00 1.75 1.54 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.74 4.52 0.00 2.09 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 2.52 2.63 0.00 60 S 8.49 4.40 0.00 3.77 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.35 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 0.00 0.00 0.00 62 I 6.85 4.41 1.90 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 1.25 0.50 1.08 0.00 0.00 63 P 0.00 4.38 0.00 2.10 2.12 0.00 4.04 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 64 A 8.54 4.03 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 65 R 7.48 3.45 0.00 1.84 1.72 0.00 3.31 0.00 0.00 3.22 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 66 F 7.25 4.12 0.00 2.99 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 67 S 8.74 4.78 0.00 3.65 3.67 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 68 G 8.45 5.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.76 4.72 4.28 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 1.26 0.00 0.00 70 G 8.12 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.13 4.51 0.00 3.73 3.72 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 72 R 6.96 4.19 0.00 1.68 1.68 0.00 3.36 0.00 0.00 3.10 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 73 T 7.45 4.23 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 1.16 0.00 0.00 74 D 7.89 5.18 0.00 2.68 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 75 F 9.62 5.46 0.00 3.13 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 76 T 8.85 4.71 4.29 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 1.16 0.00 0.00 77 L 7.56 4.32 0.00 0.27 0.60 0.38 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.55 5.15 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 1.20 0.00 0.00 79 I 7.95 4.37 1.81 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.66 0.00 0.00 80 N 9.20 4.20 0.00 2.63 2.77 0.00 0.00 7.06 8.02 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 81 P 0.00 4.66 0.00 1.97 2.03 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 82 V 8.05 3.76 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 0.94 0.00 0.00 0.97 0.00 0.00 83 E 8.48 4.93 0.00 2.11 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 2.18 2.18 0.00 84 A 8.64 4.10 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 85 D 8.01 4.52 0.00 2.67 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 86 D 7.49 4.79 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.67 3.81 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 0.77 0.00 0.00 0.97 0.00 0.00 88 A 7.37 4.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.44 4.40 4.60 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 1.42 0.00 0.00 90 Y 8.56 5.32 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 91 Y 9.39 5.73 0.00 2.96 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 92 C 8.74 4.46 0.00 1.44 1.71 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 93 Q 7.86 4.50 0.00 1.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 94 Q 7.87 4.59 0.00 1.86 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 95 S 8.97 4.26 0.00 3.89 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 96 D 7.59 4.57 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.62 3.95 0.00 2.18 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 98 Y 9.18 4.33 0.00 3.00 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 99 P 0.00 4.35 0.00 1.82 1.78 0.00 3.42 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.00 100 Y 7.44 3.89 0.00 2.88 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 0.00 101 M 6.74 3.90 0.00 1.85 1.64 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 102 Y 8.47 4.47 0.00 2.75 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 0.00 103 T 7.99 4.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 104 F 8.84 5.16 0.00 2.74 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 0.00 105 G 8.36 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.12 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 0.00 107 G 8.34 4.64 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 0.00 108 T 8.09 4.95 4.42 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 1.50 0.00 0.00 109 K 7.68 3.82 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 110 L 8.28 5.10 0.00 1.59 1.46 1.14 1.04 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 0.00 111 E 8.55 4.73 0.00 1.98 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 2.17 2.21 0.00 112 I 8.32 4.55 1.87 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 1.36 1.43 0.98 0.00 0.00 113 K 9.09 4.04 0.00 1.66 1.81 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 114 R 8.44 4.09 0.00 1.83 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 * Residues marked with a * may have inaccurate shift predictions.