NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1591 8.0249 121.4529 60.1599 38.6906 175.2661 6 P 4.1197 0.0000 0.0000 62.2141 31.7771 176.6796 7 K 4.0164 8.6407 124.7045 57.5781 32.6387 175.7216 8 I 3.9063 7.5748 110.0445 62.6538 37.9058 175.9249 9 I 3.9770 7.3730 123.2138 59.9849 37.2689 174.7186 10 P 4.5599 0.0000 0.0000 61.5520 33.5472 175.1717 11 P 4.2272 0.0000 0.0000 66.1155 31.2404 178.4825 12 E 3.9600 8.1679 117.2755 59.2093 29.4735 178.4580 13 L 4.0380 7.8653 119.9937 57.6454 42.2481 178.3082 14 L 3.9380 8.0684 120.5687 58.0453 42.0184 178.8969 15 K 3.9289 8.0786 119.4620 59.4399 31.9135 178.7556 16 V 3.9484 7.6406 117.2339 66.3510 31.5737 177.7282 17 L 4.2745 8.0577 117.3917 58.0387 41.4823 179.0735 18 C 4.3728 8.0311 116.3609 61.7460 29.4884 175.1833 19 E 4.2551 7.9594 120.5148 56.0460 26.9315 175.6205 *21 G 3.5645 7.7626 112.5813 45.9659 0.0000 168.4007 22 H 4.2958 8.4918 119.3866 58.2077 29.7293 176.2487 23 G 3.9073 9.0064 116.8920 45.0097 0.0000 173.1600 24 D 4.5939 7.9573 120.0067 54.5083 42.1630 175.4133 25 Q 5.4278 8.7514 119.8298 54.0649 32.5659 174.4352 26 L 5.2766 8.8491 121.9701 53.9403 44.5223 175.1207 27 V 4.6392 8.4283 119.8624 61.2208 34.2359 174.4418 28 I 4.4786 8.9568 129.3169 60.1550 38.3306 174.4527 29 A 4.5973 8.8425 130.8881 50.2973 20.7626 176.6299 30 D 4.7479 9.5820 123.0347 52.6136 40.8474 177.8219 31 G 3.6588 8.9572 108.0751 48.2989 0.0000 174.5164 32 N 4.5932 7.9442 115.1216 53.7794 39.0575 175.2987 33 F 4.3679 8.0623 121.7647 57.1860 40.6470 174.3546 34 P 4.4427 0.0000 0.0000 61.8364 29.6829 176.5663 35 A 4.3636 8.0267 127.6075 56.1862 19.3027 180.2287 36 E 4.0302 8.2211 114.4771 59.3889 29.7584 179.2514 37 S 4.2328 7.8573 113.8500 61.5999 63.3738 176.4190 38 I 3.8513 7.8522 123.9402 63.4438 36.6870 177.5222 39 G 4.0565 8.2177 110.0715 46.0714 0.0000 176.1674 40 K 3.8498 7.7441 124.1933 57.0322 31.6126 181.0341 41 N 4.8011 8.1077 113.0776 52.6541 38.7266 173.4729 42 A 4.7493 7.7050 120.7035 49.9567 22.6313 175.8667 43 I 4.0592 7.8877 118.9904 60.5146 38.5154 175.6831 44 V 4.6562 8.3430 127.5190 61.2680 32.9875 174.7259 45 V 4.3593 8.5395 128.6152 61.1974 33.4610 175.7791 46 R 4.4304 8.4791 126.9284 56.0723 31.1067 175.9301 *48 D 4.5854 8.6771 118.2865 54.1424 43.3945 177.5552 49 G 3.8595 8.0874 102.9758 46.4359 0.0000 173.2977 50 H 5.1639 8.0272 117.3239 53.7045 32.8556 174.0009 51 G 4.2391 8.6199 110.5636 44.2655 0.0000 175.1766 52 G 4.0941 8.9571 107.6763 47.2591 0.0000 176.3218 53 G 3.8213 8.2399 108.0638 47.5604 0.0000 175.1439 54 E 3.9712 8.2137 121.5560 58.9787 29.6407 178.8735 55 I 3.6492 7.7611 119.7476 64.2030 37.1283 178.0290 56 L 3.7935 8.1700 121.5589 58.0006 41.6435 178.7555 57 K 3.8644 8.1327 118.2414 59.6277 32.2698 178.2354 58 A 4.1354 7.9126 120.6876 55.2256 18.3003 179.6683 59 I 3.6171 8.0290 118.7253 64.5460 36.9760 178.7020 60 L 4.0813 7.9654 118.6460 57.3636 41.4225 179.2568 61 T 4.1478 7.5889 109.2385 63.7709 68.7645 175.2859 62 V 4.3555 7.7480 111.7439 60.4167 33.3033 174.9623 63 F 4.6342 7.9991 121.8750 55.3675 41.1487 172.0748 64 P 4.5274 0.0000 0.0000 62.4483 32.5910 175.5215 65 L 4.7343 8.4628 123.5718 54.0098 42.7169 176.2288 66 D 4.5274 8.7260 123.8427 55.2773 41.2061 176.3661 67 T 4.3964 8.8689 114.8537 62.3612 69.6434 174.8805 68 Y 4.1998 8.7558 119.5863 59.0657 38.3209 175.5244 69 V 4.6441 7.3816 112.0473 59.2636 35.2832 175.4410 70 D 4.5479 8.6353 121.4788 56.6790 41.1131 176.0612 71 K 4.8479 7.5466 117.5359 53.8506 32.3428 173.8134 72 P 4.6071 0.0000 0.0000 63.6168 33.1457 176.0684 73 A 5.2294 8.1206 123.5380 50.5493 21.9114 175.5676 74 T 5.0202 8.9312 118.1083 60.7762 72.4490 172.3181 75 L 5.0270 8.8810 127.4831 54.6689 42.7801 179.1274 *77 E 4.4396 8.8798 125.7056 56.6604 30.3487 174.5980 78 K 2.8880 8.5470 122.3184 55.6876 32.8883 177.2927 79 V 3.7137 8.2702 122.8379 62.2188 31.9809 173.7845 80 P 4.3716 0.0000 0.0000 64.5818 31.5167 176.5671 81 G 3.8517 9.1195 111.4859 45.0391 0.0000 172.6566 82 D 4.6268 8.0224 119.6610 53.4298 40.4341 175.2563 83 T 4.4337 8.2154 116.1356 60.9226 69.1744 175.2106 84 V 3.5235 7.1996 120.8361 62.3173 31.5421 176.0010 85 A 3.9604 8.3759 126.0095 52.5995 19.6745 177.6421 86 T 4.3123 7.5333 109.5846 58.9102 68.5965 173.2372 87 P 4.2114 0.0000 0.0000 66.1579 31.7990 178.2718 88 I 3.4997 7.5617 118.2725 63.5957 37.7731 177.4530 89 W 4.4315 7.9434 119.7025 59.9990 28.7476 178.1098 90 D 4.4788 8.1983 118.4655 56.9934 40.2496 178.8054 91 V 3.6040 7.7489 118.3958 66.3512 31.4438 177.3934 92 Y 4.4676 8.3006 116.4691 61.2512 37.7046 178.5764 93 A 4.1784 8.3773 121.6765 55.2139 17.9580 179.8964 94 G 3.6029 8.4490 104.3254 48.0131 0.0000 175.8883 95 L 4.1152 7.9462 120.4756 57.5812 41.8888 179.3888 96 I 3.9102 8.0965 119.8983 64.3039 36.1320 178.3573 97 K 4.1205 8.3855 120.4660 59.5622 31.6930 178.5721 98 E 4.1709 7.8730 117.1211 58.6842 29.3418 177.2791 99 H 4.7851 7.5544 114.6131 55.6511 31.3715 173.8511 100 D 4.7384 8.5699 121.3614 52.6570 43.5024 176.5808 101 E 4.1334 9.0236 122.8147 58.7647 30.2175 175.0177 102 R 4.1138 8.6607 116.7362 57.7102 31.5202 178.2681 103 G 3.6874 7.9969 106.6830 46.1238 0.0000 176.7821 104 A 4.0889 8.6738 125.6792 54.9374 18.2725 179.3877 105 D 4.4384 8.0597 114.4996 56.6662 41.1374 177.1442 106 A 4.4888 8.1051 120.6963 52.0822 18.8095 176.4968 107 I 4.6659 7.5603 118.0486 59.5704 38.5714 175.3991 108 G 4.4301 8.8032 115.6239 45.1941 0.0000 171.8867 109 S 5.2990 8.2577 112.3821 57.2959 65.9293 173.6317 110 L 4.9206 8.6144 120.1496 52.5740 45.4081 176.3268 111 E 3.9677 9.0022 123.2294 56.7714 30.6235 177.2082 112 R 3.6086 9.1207 125.2334 60.1830 29.9875 178.8684 113 F 4.1388 8.6779 116.2611 60.2787 39.0453 177.5265 114 A 4.1781 8.6274 120.7012 54.7934 18.0267 179.5070 115 F 3.9720 8.6221 119.9553 61.6287 39.6152 176.8571 116 Y 4.6580 7.9591 116.4074 61.4477 37.4926 178.5493 117 E 4.0789 8.2183 118.0823 59.6222 29.8544 179.0188 118 Q 4.0451 8.2440 119.2838 59.0787 29.1502 178.0056 119 A 3.9283 8.3066 122.0686 54.9107 18.1627 179.6197 120 K 4.3511 7.8092 117.0254 58.3969 32.1613 178.1403 121 N 4.6628 7.9553 114.6806 52.4203 39.2272 175.2911 122 A 4.2138 7.2165 124.2038 52.1386 19.3638 177.2470 123 Y 4.3283 8.9328 122.8571 60.4698 40.2035 175.4151 124 C 5.1125 8.0131 118.1250 57.6811 35.6559 172.7191 125 V 4.6947 8.8889 125.8598 61.2118 33.9298 174.0542 126 I 4.6352 8.9680 129.2537 59.9916 38.7687 174.9746 127 A 4.7244 8.8762 131.4600 50.7745 18.2454 176.8876 128 S 4.3895 8.7650 116.8475 58.3048 64.9553 174.4224 129 G 4.6411 8.5649 104.6522 45.2210 0.0000 173.4271 130 E 4.2136 8.3311 123.1381 56.5871 29.8471 178.0455 131 S 4.3262 8.9072 121.3050 59.7011 64.0259 174.5389 132 A 4.1266 7.9476 124.7368 51.9436 18.6434 177.3470 133 Q 4.0966 8.4020 120.5545 56.5191 29.6349 175.0128 134 Y 3.6054 7.7353 114.0722 59.7025 35.3564 170.7243 135 A 4.9493 8.3098 118.2154 51.8959 19.9983 178.1155 136 N 4.7189 8.0725 114.2114 53.8047 39.6594 174.5687 137 L 4.9062 8.9347 124.1219 53.7800 45.9806 174.6310 138 I 4.6531 8.9464 127.7045 60.0418 39.1026 174.5671 139 L 5.1603 9.0218 127.0291 52.9171 44.7284 175.0197 140 Q 5.0467 8.9869 125.1764 54.2313 31.2062 174.4445 141 K 3.7563 9.2110 128.9054 56.3418 33.4541 176.5496 142 G 3.8761 8.1473 115.3438 45.3750 0.0000 173.3718 143 V 3.8907 7.8787 113.1691 59.8272 33.2287 175.4616 144 V 4.0041 7.6086 121.6425 61.2606 32.2420 175.9010 145 F 4.4022 8.6381 125.0156 57.8600 38.8797 175.4774 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 5 I 8.02 4.16 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 1.43 1.08 0.92 0.00 0.00 6 P 0.00 4.12 0.00 2.25 1.98 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 7 K 8.64 4.02 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 8 I 7.57 3.91 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.92 0.00 0.00 9 I 7.37 3.98 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 1.33 0.52 0.91 0.00 0.00 10 P 0.00 4.56 0.00 2.27 2.18 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 11 P 0.00 4.23 0.00 2.18 2.17 0.00 3.61 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 2.13 2.17 0.00 12 E 8.17 3.96 0.00 2.03 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 2.38 2.37 0.00 13 L 7.87 4.04 0.00 1.80 1.78 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.07 3.94 0.00 1.82 1.85 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.08 3.93 0.00 1.90 1.99 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.48 7.81 16 V 7.64 3.95 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 1.11 0.00 0.00 1.06 0.00 0.00 17 L 8.06 4.27 0.00 1.84 1.84 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.03 4.37 0.00 3.13 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 19 E 7.96 4.26 0.00 2.11 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 2.65 2.31 0.00 *21 G 7.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.49 4.30 0.00 2.87 3.05 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.01 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 24 D 7.96 4.59 0.00 2.69 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 25 Q 8.75 5.43 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 26 L 8.85 5.28 0.00 1.77 1.73 0.63 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.43 4.64 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 0.71 0.00 0.00 0.84 0.00 0.00 28 I 8.96 4.48 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.39 0.86 0.00 0.00 29 A 8.84 4.60 1.19 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 0.00 0.00 30 D 9.58 4.75 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.96 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 32 N 7.94 4.59 0.00 2.79 2.85 0.00 0.00 6.95 8.51 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 33 F 8.06 4.37 0.00 3.32 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.44 0.00 1.88 1.89 0.00 2.34 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.19 0.00 35 A 8.03 4.36 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 36 E 8.22 4.03 0.00 1.94 2.01 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 2.32 2.30 0.00 37 S 7.86 4.23 0.00 3.96 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 38 I 7.85 3.85 2.12 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 1.21 0.96 1.16 0.00 0.00 39 G 8.22 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 40 K 7.74 3.85 0.00 1.74 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.30 7.81 41 N 8.11 4.80 0.00 2.68 2.83 0.00 0.00 6.62 7.35 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 42 A 7.70 4.75 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 43 I 7.89 4.06 1.64 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.40 0.87 0.00 0.00 44 V 8.34 4.66 2.07 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 0.85 0.00 0.00 0.97 0.00 0.00 45 V 8.54 4.36 2.07 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 1.00 0.00 0.00 0.92 0.00 0.00 46 R 8.48 4.43 0.00 1.75 2.12 0.00 3.47 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.68 4.59 0.00 2.62 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 49 G 8.09 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.03 5.16 0.00 3.07 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.62 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 52 G 8.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.24 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 54 E 8.21 3.97 0.00 2.09 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 2.37 2.42 0.00 55 I 7.76 3.65 1.98 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 1.38 0.68 0.85 0.00 0.00 56 L 8.17 3.79 0.00 1.56 1.79 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.13 3.86 0.00 1.87 2.06 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 58 A 7.91 4.14 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 59 I 8.03 3.62 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.52 0.00 0.00 60 L 7.97 4.08 0.00 1.53 1.42 0.99 1.19 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 61 T 7.59 4.15 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 1.30 0.00 0.00 62 V 7.75 4.36 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 0.72 0.00 0.00 1.05 0.00 0.00 63 F 8.00 4.63 0.00 2.88 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 64 P 0.00 4.53 0.00 2.03 2.09 0.00 3.32 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 1.75 1.82 0.00 65 L 8.46 4.73 0.00 1.61 1.70 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.73 4.53 0.00 2.96 2.65 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 67 T 8.87 4.40 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 1.30 0.00 0.00 68 Y 8.76 4.20 0.00 3.16 3.12 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 69 V 7.38 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 70 D 8.64 4.55 0.00 2.71 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 71 K 7.55 4.85 0.00 1.69 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.38 7.81 72 P 0.00 4.61 0.00 2.17 2.46 0.00 3.87 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 2.10 2.14 0.00 73 A 8.12 5.23 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 74 T 8.93 5.02 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 1.26 0.00 0.00 75 L 8.88 5.03 0.00 1.11 0.19 -0.10 0.64 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 *77 E 8.88 4.44 0.00 1.89 1.93 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 2.18 2.43 0.00 78 K 8.55 2.89 0.00 1.54 1.52 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.38 1.10 7.81 79 V 8.27 3.71 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 1.15 0.00 0.00 1.12 0.00 0.00 80 P 0.00 4.37 0.00 2.11 2.02 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 81 G 9.12 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 82 D 8.02 4.63 0.00 2.69 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 83 T 8.22 4.43 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 1.19 0.00 0.00 84 V 7.20 3.52 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 0.86 0.00 0.00 0.93 0.00 0.00 85 A 8.38 3.96 1.15 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 86 T 7.53 4.31 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 0.67 0.00 0.00 87 P 0.00 4.21 0.00 2.20 2.27 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 88 I 7.56 3.50 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.14 0.77 0.00 0.00 89 W 7.94 4.43 0.00 3.52 3.17 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 90 D 8.20 4.48 0.00 2.92 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 91 V 7.75 3.60 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 1.13 0.00 0.00 0.95 0.00 0.00 92 Y 8.30 4.47 0.00 3.22 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.38 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 3.60 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 0.00 0.00 0.00 95 L 7.95 4.12 0.00 1.89 1.82 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.10 3.91 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 1.43 0.69 1.02 0.00 0.00 97 K 8.39 4.12 0.00 2.01 2.01 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.55 7.81 98 E 7.87 4.17 0.00 2.13 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 2.34 2.57 0.00 99 H 7.55 4.79 0.00 3.35 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.57 4.74 0.00 2.66 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 0.00 101 E 9.02 4.13 0.00 2.03 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 2.23 1.91 0.00 102 R 8.66 4.11 0.00 2.00 2.03 0.00 3.26 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 103 G 8.00 3.69 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 0.00 104 A 8.67 4.09 1.35 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 0.00 105 D 8.06 4.44 0.00 2.88 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 0.00 106 A 8.11 4.49 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 0.00 107 I 7.56 4.67 1.92 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 1.23 0.67 0.81 0.00 0.00 108 G 8.80 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 0.00 109 S 8.26 5.30 0.00 3.72 3.61 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 0.00 110 L 8.61 4.92 0.00 1.73 1.66 0.85 0.76 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 0.00 111 E 9.00 3.97 0.00 2.07 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 2.47 2.36 0.00 112 R 9.12 3.61 0.00 1.87 1.89 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.13 0.00 113 F 8.68 4.14 0.00 3.35 3.26 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 0.00 114 A 8.63 4.18 1.45 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 0.00 0.00 0.00 115 F 8.62 3.97 0.00 3.18 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 0.00 116 Y 7.96 4.66 0.00 3.32 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 0.00 117 E 8.22 4.08 0.00 2.21 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 2.70 2.57 0.00 118 Q 8.24 4.05 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 119 A 8.31 3.93 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 0.00 0.00 120 K 7.81 4.35 0.00 2.02 1.92 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.61 7.81 121 N 7.96 4.66 0.00 2.84 2.86 0.00 0.00 6.94 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.22 4.21 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 0.00 123 Y 8.93 4.33 0.00 3.09 3.12 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 0.00 124 C 8.01 5.11 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.89 4.69 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 0.98 0.00 0.00 126 I 8.97 4.64 1.90 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 1.13 0.42 0.89 0.00 0.00 127 A 8.88 4.72 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 0.00 128 S 8.77 4.39 0.00 4.13 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 0.00 129 G 8.56 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 0.00 130 E 8.33 4.21 0.00 2.26 1.92 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 2.39 2.36 0.00 131 S 8.91 4.33 0.00 4.01 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 0.00 132 A 7.95 4.13 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 0.00 133 Q 8.40 4.10 0.00 2.04 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 134 Y 7.74 3.61 0.00 3.29 3.43 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 0.00 135 A 8.31 4.95 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 0.00 136 N 8.07 4.72 0.00 2.12 2.55 0.00 0.00 6.72 7.85 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 0.00 137 L 8.93 4.91 0.00 1.46 1.20 0.87 0.71 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 0.00 138 I 8.95 4.65 1.73 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.09 0.84 0.00 0.00 139 L 9.02 5.16 0.00 1.25 1.58 0.56 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.99 5.05 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 141 K 9.21 3.76 0.00 1.52 1.59 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.58 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.94 0.21 7.81 142 G 8.15 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 0.00 0.00 0.00 143 V 7.88 3.89 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 0.03 0.00 0.00 -0.29 0.00 0.00 144 V 7.61 4.00 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 0.79 0.00 0.00 0.81 0.00 0.00 145 F 8.64 4.40 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.