NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.3248 7.9127 120.4105 62.8800 32.7670 174.1084 5 S 4.6484 8.7800 120.7506 56.2905 66.3318 171.5055 6 Q 4.7173 8.7281 120.6402 55.9574 29.7702 176.3444 7 H 3.9073 8.2921 116.4910 57.8666 30.0018 174.9625 8 P 4.9238 0.0000 0.0000 62.4187 32.0473 174.8634 9 S 4.1717 7.8862 110.2136 59.3943 63.4155 178.4442 10 R 5.1486 8.7531 111.2291 55.1855 31.3835 175.5365 11 V 4.1045 7.5298 116.8300 61.4564 34.9857 171.7413 12 I 4.4793 8.3807 123.8457 60.1318 34.8873 174.8463 13 A 4.1651 8.0362 127.1253 51.9446 20.0448 177.0729 14 K 5.0818 8.1969 120.7179 54.2415 35.6281 175.9800 15 S 4.1296 8.7649 115.0542 59.9462 63.8791 174.0932 16 G 4.0257 8.5830 109.7443 46.3495 0.0000 172.4038 17 T 4.7318 9.0280 115.8579 62.6599 74.0324 173.9753 18 S 5.6583 8.6008 120.4082 56.2851 65.6483 173.5252 19 V 4.4227 8.2260 123.3341 61.1094 33.6310 174.2388 20 K 4.7705 8.3472 126.2208 55.7121 34.8680 176.4635 21 I 4.2054 8.0844 122.6903 61.0010 40.3816 173.1112 22 E 4.4908 8.6264 126.7628 54.2654 30.4249 176.3526 23 C 5.3320 8.3916 125.4225 56.5608 45.8848 172.6438 24 R 5.0391 8.5088 123.3375 54.4888 34.8834 175.4838 25 S 5.0182 7.8717 112.6887 57.3009 63.0303 176.1037 26 L 4.4796 7.9022 124.8307 54.5683 40.1884 176.0596 27 D 5.8500 7.5557 132.2211 53.2285 42.7465 176.6266 27A F 5.0401 7.7091 122.2448 58.8380 41.4766 172.9771 28 Q 4.1816 5.7400 117.7182 54.8996 32.0400 174.8077 29 A 4.6407 7.5402 127.6950 52.0121 20.8007 173.1422 30 T 4.4083 7.4747 111.3056 62.7404 75.9488 174.5774 31 T 4.6940 7.6379 116.7873 59.7867 73.2049 175.0012 32 M 4.8650 8.3701 122.3088 53.5879 36.3190 175.0964 33 F 4.6360 9.0983 123.1099 56.5113 42.4125 175.9781 *34 W 6.0976 7.6535 120.6382 55.2114 29.7950 170.9658 35 Y 4.4990 8.1585 123.0194 58.0907 39.1587 175.4276 36 R 4.6003 8.7334 127.9721 57.9683 33.3647 174.5560 37 Q 4.9718 7.4181 112.9605 56.1759 33.5899 166.5184 38 F 5.2792 7.9979 111.7504 56.7288 42.8924 173.1353 39 P 4.4936 0.0000 0.0000 63.0628 31.0648 175.8672 40 K 4.0941 7.0001 115.0510 57.0785 35.2293 173.7523 41 Q 5.1313 9.2350 135.0000 57.8313 29.8122 171.3728 42 S 4.4010 8.3038 106.7419 56.7089 63.2943 168.6350 43 L 4.1485 7.3937 116.1230 56.1959 40.6260 175.5625 44 M 4.5714 8.3436 121.7519 54.8458 35.3436 174.3564 45 L 5.3982 8.4081 120.7703 53.5146 46.4952 177.2599 46 M 5.0310 8.4316 123.0754 55.5511 35.1977 175.1450 47 A 4.9543 8.6114 124.1600 54.5064 21.2127 174.2829 48 T 4.0777 7.4755 104.8968 62.9832 71.9697 171.2707 49 S 5.1140 8.2600 113.4345 55.9697 66.4705 172.0609 50 A 4.4994 8.0616 120.4188 51.3687 22.7192 177.0348 51 E 3.6163 8.5512 118.5046 57.2199 29.1653 177.2152 52 G 3.5896 8.5144 112.9712 48.7077 0.0000 174.2937 52A S 4.4040 7.4620 121.2801 57.0316 63.5677 174.6406 53 K 4.3875 8.2903 130.3697 54.9721 31.9713 176.6461 54 A 3.8054 7.5298 123.5226 51.8978 18.8330 178.7168 55 T 5.3800 7.4835 107.9289 60.9457 68.8598 173.5961 *59 G 4.0269 8.3471 108.4708 45.2046 0.0000 173.3339 60 V 4.4542 8.2862 118.1579 61.4470 34.1383 175.7471 61 E 4.3502 7.9456 121.1796 53.2406 28.1595 173.1835 62 K 4.4542 8.0391 128.4102 56.7318 35.1436 174.9426 *64 K 4.1621 7.9375 129.5869 54.0958 34.3439 172.5876 65 F 5.6022 7.6744 118.9473 57.8686 37.8650 175.7611 66 L 4.3067 7.8993 121.9406 55.9089 42.5273 178.9191 67 I 4.9526 7.9299 116.5223 61.4714 41.0995 174.6517 68 N 4.8791 8.4721 121.1266 51.9184 38.4604 172.9411 69 H 4.1894 8.6636 125.6916 57.3103 31.6225 172.1262 70 A 4.2899 8.3845 124.7718 52.6689 19.9439 177.7688 71 S 4.4168 8.5659 112.0045 55.6136 64.3081 174.2795 72 L 3.9622 8.2741 123.2067 58.6404 39.4398 177.8833 73 T 4.0369 7.1307 116.9528 65.6231 69.1561 175.3063 74 L 4.6542 7.9204 124.2828 53.6587 44.1019 175.9049 75 S 6.1249 7.8554 127.6201 58.9819 64.9839 176.1124 76 T 5.2252 7.8164 115.2533 59.1141 72.1250 172.6280 77 L 5.0805 8.3201 123.5189 53.5981 44.5282 175.2269 78 T 5.2279 8.7421 123.1996 61.2234 71.0723 173.6812 79 V 5.4981 8.2296 119.1778 59.1419 34.7428 174.6904 80 T 4.7355 9.0270 122.7457 63.2783 69.4640 176.1267 81 S 3.8451 9.6141 122.5283 58.4187 59.9297 173.2750 82 A 4.6376 8.1798 127.1224 49.8582 21.4539 175.1638 83 H 4.1381 8.5618 118.1247 55.6424 30.1486 173.2422 84 P 4.6894 0.0000 0.0000 62.3443 29.8922 175.0797 85 E 4.5683 8.4907 123.0013 54.5185 31.5101 175.5362 86 D 4.9332 9.9230 128.3976 51.8110 41.6824 176.1648 87 S 5.8292 8.0369 111.2660 55.8047 63.2964 174.2916 88 S 5.1447 8.0352 128.7681 58.6310 65.0083 176.1296 *89 F 4.2958 8.4480 126.2517 57.9530 38.0007 171.1868 90 Y 4.2631 8.9793 126.0908 57.3056 39.0839 175.9487 91 I 6.0285 8.7488 122.1308 57.8733 40.8368 168.5490 92 C 5.8080 8.6354 116.5004 53.0341 44.6577 172.7346 *107 Y 4.6015 8.4482 119.7089 57.7969 38.7398 173.9613 108 F 4.9032 8.6959 124.8996 56.4560 43.1315 173.3004 109 G 4.3582 8.6800 109.2766 43.4234 0.0000 172.2550 110 P 4.7734 0.0000 0.0000 62.4341 31.7843 175.9200 111 G 4.3650 8.7845 106.1179 45.6264 0.0000 172.6043 112 T 5.3842 8.3592 118.5115 61.4362 72.0637 174.9191 113 R 4.8366 8.7395 128.9243 56.5107 32.5751 171.7511 114 L 5.0714 7.8613 113.9149 56.4047 44.4265 172.1526 115 T 4.1215 7.6554 105.7860 65.2271 71.5835 174.4861 116 V 4.6561 8.2236 120.4816 64.6409 33.7437 173.4369 *124 P 4.4356 0.0000 0.0000 62.1148 32.8893 173.0718 125 P 4.7815 0.0000 0.0000 60.6236 31.3732 176.7683 126 E 3.9363 8.9299 114.2708 57.1745 25.8298 173.6761 127 V 5.2466 8.0555 115.7557 59.0075 34.5641 174.1491 128 A 4.8581 8.4685 121.6558 50.6223 22.3110 175.0279 129 V 4.4631 7.8182 117.6356 61.7344 34.8976 174.4705 130 F 3.9579 12.0000 118.5279 57.5498 40.8830 175.5633 131 E 5.5184 9.2507 122.7770 56.6957 29.7327 176.6015 132 P 4.1176 0.0000 0.0000 62.8623 29.6758 174.8568 *146 V 3.9515 7.3353 115.6637 62.3370 32.4817 174.2861 147 C 5.4489 7.9025 117.7313 58.5260 32.5509 172.3052 148 L 4.4972 8.1300 116.4409 55.3245 44.3323 175.1255 149 A 4.6230 8.1808 126.0598 50.6859 21.2466 174.3927 150 T 4.7426 9.0197 116.6043 62.6746 72.5607 173.6088 151 G 3.7331 8.7202 117.3202 46.6703 0.0000 174.1260 *152 F 4.4660 7.6520 119.9089 54.9666 38.0819 179.9868 *186 N 4.5777 8.2455 123.3032 52.7385 39.0382 173.1758 187 D 4.5951 8.0993 116.2826 53.5805 42.9111 176.1348 188 S 3.7867 8.0080 122.3456 59.7795 58.9816 169.4702 189 R 4.5153 7.3408 121.6342 54.7640 31.5835 174.8556 190 Y 4.7737 7.8746 111.7225 58.8059 41.5784 174.2181 191 A 4.8325 8.3983 119.4089 51.8150 22.1990 176.2933 192 L 4.8049 8.1373 119.0529 53.2647 45.6643 175.9238 193 S 4.9338 8.7833 116.9706 56.4348 65.6329 173.4126 194 S 4.3548 9.0377 120.3107 57.5026 63.5655 173.2163 195 R 5.2853 7.3302 118.1166 55.1244 32.1869 176.0332 196 L 4.6713 7.1256 120.3737 54.9750 41.6396 177.9289 *204 Q 4.1677 8.7477 122.8561 56.6380 29.5416 174.1898 205 N 4.0570 8.2727 115.7735 53.4546 39.6008 172.4462 206 P 4.3993 0.0000 0.0000 63.5630 31.4335 177.9046 207 R 3.5095 8.1800 120.8686 58.7048 30.3826 175.5111 208 N 3.9584 10.1820 114.4284 52.0006 38.8380 177.7730 209 H 5.2783 8.1664 112.2593 55.6073 33.0996 173.4290 210 F 4.8344 8.3688 117.4523 56.4308 40.2436 174.5100 211 R 4.9075 8.0805 121.6774 53.0668 34.1851 171.7187 *214 V 4.1295 8.0257 108.6917 63.7587 31.8847 175.5521 215 Q 4.6104 8.3660 124.6324 56.4139 31.7720 170.9101 *216 F 4.6768 8.3200 115.2720 58.0500 41.4457 175.6650 *217 Y 4.3675 8.0227 121.9314 55.7695 38.1853 173.5769 *233 V 3.8837 8.0180 124.8889 63.0579 33.4241 175.4885 234 T 3.2616 8.3295 117.3400 62.7901 67.3760 172.2271 235 Q 5.0858 9.0685 114.4790 52.6549 28.9615 171.7627 236 I 4.4111 7.2034 123.8300 61.0961 40.4840 173.4958 237 V 4.0569 6.6003 123.7536 62.2517 34.2116 170.7302 238 S 4.4190 7.9109 109.3990 60.6616 67.0481 175.7733 239 A 4.5233 8.1824 112.5511 51.1654 20.1576 176.2184 240 E 4.5338 7.8999 124.5057 55.2820 29.4690 176.7001 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 4 V 7.91 4.32 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 1.01 0.00 0.00 1.10 0.00 0.00 5 S 8.78 4.65 0.00 3.91 3.74 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 6 Q 8.73 4.72 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.39 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 7 H 8.29 3.91 0.00 3.18 3.38 0.00 5.63 0.00 0.00 0.00 0.00 7.00 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 4.92 0.00 2.04 2.02 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 9 S 7.89 4.17 0.00 4.11 3.39 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 0.00 0.00 0.00 0.00 10 R 8.75 5.15 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 11 V 7.53 4.10 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 0.65 0.00 0.00 0.93 0.00 0.00 12 I 8.38 4.48 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.58 0.92 0.00 0.00 13 A 8.04 4.17 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 14 K 8.20 5.08 0.00 1.62 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.55 7.81 15 S 8.76 4.13 0.00 3.97 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 16 G 8.58 4.03 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 0.00 0.00 0.00 17 T 9.03 4.73 4.48 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 1.21 0.00 0.00 18 S 8.60 5.66 0.00 3.72 3.74 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 19 V 8.23 4.42 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 0.91 0.00 0.00 0.88 0.00 0.00 20 K 8.35 4.77 0.00 1.78 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81 21 I 8.08 4.21 1.83 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 1.37 0.27 0.94 0.00 0.00 22 E 8.63 4.49 0.00 1.95 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 2.20 2.28 0.00 23 C 8.39 5.33 0.00 3.10 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 8.51 5.04 0.00 1.77 1.74 0.00 3.15 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 25 S 7.87 5.02 0.00 4.17 4.12 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 26 L 7.90 4.48 0.00 1.65 1.67 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.56 5.85 0.00 2.81 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 27A F 7.71 5.04 0.00 2.66 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 28 Q 5.74 4.18 0.00 1.73 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 29 A 7.54 4.64 1.23 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 0.00 0.00 30 T 7.47 4.41 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 1.23 0.00 0.00 31 T 7.64 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 M 8.37 4.87 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 33 F 9.10 4.64 0.00 2.09 2.35 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 *34 W 7.65 6.10 0.00 2.12 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 0.00 0.00 0.00 0.00 35 Y 8.16 4.50 0.00 3.01 3.19 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 36 R 8.73 4.60 0.00 1.91 1.86 0.00 3.12 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 0.00 37 Q 7.42 4.97 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.51 0.00 0.00 0.00 0.00 0.00 2.04 1.69 0.00 38 F 8.00 5.28 0.00 2.94 2.96 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 39 P 0.00 4.49 0.00 2.14 2.10 0.00 3.97 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 2.01 1.91 0.00 40 K 7.00 4.09 0.00 1.65 1.71 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.22 7.81 41 Q 9.23 5.13 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.75 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 42 S 8.30 4.40 0.00 4.05 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 43 L 7.39 4.15 0.00 1.67 1.75 0.85 0.57 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 44 M 8.34 4.57 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 45 L 8.41 5.40 0.00 1.58 1.59 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.43 5.03 0.00 1.80 0.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 47 A 8.61 4.95 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 48 T 7.48 4.08 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 1.02 0.00 0.00 49 S 8.26 5.11 0.00 3.88 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 50 A 8.06 4.50 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 51 E 8.55 3.62 0.00 2.01 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 2.23 2.27 0.00 52 G 8.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52A S 7.46 4.40 0.00 3.79 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 53 K 8.29 4.39 0.00 1.76 1.70 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.60 7.81 54 A 7.53 3.81 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 55 T 7.48 5.38 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 1.20 0.00 0.00 *59 G 8.35 4.03 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 0.00 0.00 0.00 60 V 8.29 4.45 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 0.94 0.00 0.00 61 E 7.95 4.35 0.00 1.99 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 2.24 2.28 0.00 62 K 8.04 4.45 0.00 1.80 1.80 0.00 2.14 0.00 0.00 1.75 0.00 0.00 3.27 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 *64 K 7.94 4.16 0.00 1.51 1.80 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 65 F 7.67 5.60 0.00 2.92 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 66 L 7.90 4.31 0.00 1.37 1.57 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.93 4.95 1.87 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 1.38 1.06 0.92 0.00 0.00 68 N 8.47 4.88 0.00 2.69 2.75 0.00 0.00 6.85 8.54 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 69 H 8.66 4.19 0.00 3.01 3.23 0.00 5.86 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 70 A 8.38 4.29 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.57 4.42 0.00 3.83 3.71 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 72 L 8.27 3.96 0.00 1.69 1.73 0.81 0.58 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 73 T 7.13 4.04 4.23 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 1.21 0.00 0.00 74 L 7.92 4.65 0.00 1.81 1.53 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.86 6.12 0.00 4.07 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 76 T 7.82 5.23 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 1.21 0.00 0.00 77 L 8.32 5.08 0.00 1.63 1.53 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.74 5.23 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 1.20 0.00 0.00 79 V 8.23 5.50 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.85 0.00 0.00 80 T 9.03 4.74 4.23 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 1.20 0.00 0.00 81 S 9.61 3.85 0.00 3.84 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 82 A 8.18 4.64 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 83 H 8.56 4.14 0.00 3.11 3.29 0.00 5.94 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.69 0.00 2.09 2.13 0.00 3.57 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 85 E 8.49 4.57 0.00 1.87 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 1.79 1.92 0.00 86 D 9.92 4.93 0.00 2.76 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 87 S 8.04 5.83 0.00 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 0.00 88 S 8.04 5.14 0.00 3.27 3.55 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 *89 F 8.45 4.30 0.00 2.06 2.17 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 Y 8.98 4.26 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.75 6.03 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 0.91 1.27 0.91 0.00 0.00 92 C 8.64 5.81 0.00 2.95 3.21 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 0.00 *107 Y 8.45 4.60 0.00 3.05 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 0.00 108 F 8.70 4.90 0.00 2.94 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 0.00 109 G 8.68 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 0.00 0.00 0.00 0.00 110 P 0.00 4.77 0.00 1.99 2.10 0.00 3.68 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 2.07 2.15 0.00 111 G 8.78 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 0.00 0.00 0.00 0.00 112 T 8.36 5.38 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 113 R 8.74 4.84 0.00 1.49 1.82 0.00 3.22 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 1.56 1.19 0.00 114 L 7.86 5.07 0.00 1.59 1.44 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.66 4.12 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 1.38 0.00 0.00 116 V 8.22 4.66 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 0.87 0.00 0.00 1.02 0.00 0.00 *124 P 0.00 4.44 0.00 2.27 2.15 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 125 P 0.00 4.78 0.00 2.17 1.55 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 126 E 8.93 3.94 0.00 2.09 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 2.23 2.25 0.00 127 V 8.06 5.25 2.17 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 0.86 0.00 0.00 0.92 0.00 0.00 128 A 8.47 4.86 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 0.00 129 V 7.82 4.46 1.87 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 0.93 0.00 0.00 0.83 0.00 0.00 130 F 12.00 3.96 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 9.25 5.52 0.00 2.24 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 0.00 2.22 2.12 0.00 132 P 0.00 4.12 0.00 2.29 2.11 0.00 3.77 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 1.82 1.56 0.00 *146 V 7.34 3.95 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 0.82 0.00 0.00 1.01 0.00 0.00 147 C 7.90 5.45 0.00 3.21 3.20 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 0.00 148 L 8.13 4.50 0.00 1.78 1.77 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.18 4.62 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 0.00 150 T 9.02 4.74 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 1.25 0.00 0.00 151 G 8.72 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 F 7.65 4.47 0.00 2.30 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 *186 N 8.25 4.58 0.00 2.74 2.84 0.00 0.00 7.05 8.06 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 0.00 187 D 8.10 4.60 0.00 2.63 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 0.00 188 S 8.01 3.79 0.00 4.03 4.08 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 0.00 189 R 7.34 4.52 0.00 1.82 1.72 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.00 190 Y 7.87 4.77 0.00 2.90 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 0.00 191 A 8.40 4.83 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 0.00 192 L 8.14 4.80 0.00 1.40 1.53 1.00 0.74 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 0.00 193 S 8.78 4.93 0.00 3.86 3.70 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 0.00 194 S 9.04 4.35 0.00 3.98 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 0.00 195 R 7.33 5.29 0.00 2.02 2.12 0.00 3.01 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 196 L 7.13 4.67 0.00 1.40 0.70 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 *204 Q 8.75 4.17 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 205 N 8.27 4.06 0.00 2.67 2.79 0.00 0.00 7.19 7.69 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 0.00 206 P 0.00 4.40 0.00 2.25 2.23 0.00 3.77 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 2.07 1.96 0.00 207 R 8.18 3.51 0.00 1.82 1.92 0.00 3.30 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 208 N 10.18 3.96 0.00 2.79 2.63 0.00 0.00 6.69 7.78 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 0.00 209 H 8.17 5.28 0.00 3.09 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 F 8.37 4.83 0.00 3.17 3.06 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 0.00 211 R 8.08 4.91 0.00 1.79 1.71 0.00 3.19 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *214 V 8.03 4.13 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 0.83 0.00 0.00 0.93 0.00 0.00 215 Q 8.37 4.61 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.71 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 *216 F 8.32 4.68 0.00 2.24 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 0.00 0.00 0.00 *217 Y 8.02 4.37 0.00 2.28 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 0.00 0.00 0.00 *233 V 8.02 3.88 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 0.98 0.00 0.00 0.93 0.00 0.00 234 T 8.33 3.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 235 Q 9.07 5.09 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.27 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 236 I 7.20 4.41 1.86 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 1.45 0.52 0.90 0.00 0.00 237 V 6.60 4.06 2.06 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 0.64 0.00 0.00 0.90 0.00 0.00 238 S 7.91 4.42 0.00 3.79 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 0.00 239 A 8.18 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 E 7.90 4.53 0.00 1.74 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 2.25 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.