NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4133 8.3449 119.1344 54.3206 29.2371 174.7380 3 K 4.0753 8.5971 124.4622 54.9304 32.6031 175.8813 4 L 4.2543 8.9626 124.7189 54.1359 43.5910 176.1517 5 T 4.1170 8.0736 117.7492 63.6394 68.6925 175.0809 6 R 4.4130 8.4887 125.5985 55.5842 31.9290 176.1200 7 I 4.4342 8.1828 121.0675 60.0639 38.9901 175.5339 8 N 4.5334 8.9473 124.7820 54.4364 39.5684 175.6167 9 D 4.6233 7.8816 118.4215 53.0240 42.4418 175.8505 10 F 4.0023 9.0074 129.1931 61.7524 39.3801 176.5612 11 N 4.2240 8.3853 115.8392 56.6559 38.9135 176.2468 12 E 3.8724 8.5916 120.7985 58.9670 29.3787 178.7398 13 V 3.4634 7.7480 118.4409 66.0167 31.3366 177.6951 14 L 3.7650 7.0889 118.2992 58.3120 41.9597 178.5403 15 N 4.4467 8.0661 114.9026 55.5532 38.5395 176.6350 16 S 4.6936 7.4574 114.1735 57.6592 63.5044 174.1117 17 R 4.0839 7.2132 122.4847 55.8514 29.4848 175.4547 18 K 4.6035 8.0840 123.5101 54.5409 36.2492 176.7419 19 S 4.5000 8.5175 117.0006 58.2501 62.1925 174.0607 20 V 4.0154 8.2052 126.1436 61.5290 32.1270 175.9446 21 K 4.3423 8.2874 124.1784 55.8641 33.7534 175.8395 22 V 4.2283 6.9940 119.3000 61.0272 34.1465 174.4400 23 F 5.2675 8.8453 126.6710 55.4542 42.1058 175.1393 24 D 4.5646 9.3393 120.9557 54.2318 41.0913 177.1080 25 E 4.3286 9.0498 125.9205 58.2896 29.7485 177.5371 26 N 4.7078 8.4057 114.2914 52.9564 39.0956 173.7771 27 Y 4.3757 7.8682 120.7188 55.6369 39.8068 174.7525 28 K 4.7037 7.8020 125.6754 53.4167 34.8867 175.8357 29 I 4.0263 8.1675 124.6186 60.0496 37.8547 174.2888 30 P 4.3077 0.0000 0.0000 62.4348 31.8878 177.2793 31 R 3.8310 8.8263 125.0425 60.1528 30.4758 178.1639 32 E 4.1465 8.2659 113.4809 58.9503 29.9792 180.0324 33 E 4.3022 7.9966 120.1787 56.5691 29.5896 178.2240 *35 D 4.5334 8.2119 118.8892 53.9199 43.2494 177.7282 36 E 3.9208 8.3050 119.3651 59.2892 29.4858 178.9218 37 I 3.6205 7.8508 119.8377 64.5659 37.1952 178.5768 38 I 3.6778 7.6226 120.0571 64.4660 36.7610 178.3568 39 T 3.8891 7.8932 115.9411 66.6623 68.4706 176.4512 40 K 4.1056 8.2585 120.0589 59.3479 32.1338 179.0648 41 A 3.9324 8.2408 121.7013 55.3887 18.0753 179.0543 42 T 3.7894 7.5706 104.4540 62.4107 69.2460 176.1265 43 K 4.2537 7.6715 120.6645 56.7717 32.4398 176.9735 44 A 4.1792 7.0159 122.9487 51.5024 18.8901 175.6869 45 P 4.7979 0.0000 0.0000 62.6616 32.3994 175.6537 46 S 4.8984 8.2128 112.0204 56.5594 65.7669 173.4103 47 S 4.2729 9.2184 116.8432 60.4792 62.3105 174.2642 48 V 3.2806 9.5239 119.4934 61.8460 29.0891 171.7884 49 N 4.0668 7.8698 118.6197 53.0610 37.2883 173.9021 *51 Q 2.5200 8.0667 125.6109 54.4754 29.7026 173.9157 52 P 4.5462 0.0000 0.0000 63.1423 33.2319 177.9583 53 W 4.9827 7.1621 118.6544 56.9673 29.3076 175.9940 54 R 4.7218 9.4183 121.4018 54.9220 33.7532 173.9028 55 I 4.9589 8.6958 125.0543 59.6069 39.1304 175.1886 56 A 4.4464 9.2202 130.6152 50.9407 19.9116 176.5320 57 V 4.0343 8.3775 123.6496 62.4150 31.0847 175.1604 58 V 4.0349 8.0724 128.1920 61.9146 31.4967 175.7031 59 Q 4.4167 8.5274 125.3854 56.0714 30.5839 176.4330 60 S 4.3106 7.8476 112.1089 57.7717 63.9706 173.7167 61 D 4.4197 8.7726 122.1281 57.8426 40.9143 178.5887 62 E 4.1215 7.6353 114.2210 57.4383 28.9815 178.0527 *64 K 4.1578 8.0786 118.2315 56.4410 33.8696 177.6952 65 E 3.9948 8.4337 119.6638 59.0995 29.7511 178.9756 66 K 3.9871 8.0599 117.3451 59.0990 32.0074 178.1193 67 V 4.2372 7.4693 108.9625 61.2427 32.4946 177.6180 68 K 3.9611 7.9345 122.0505 59.7545 31.9612 178.0593 69 E 3.9877 8.2407 118.8334 59.5036 29.6022 178.7177 70 S 4.2545 8.0443 114.4907 60.8639 62.8557 175.6219 71 F 4.2893 8.4348 119.3636 55.8002 39.0166 177.2080 72 G 3.8745 8.8614 111.6411 47.4563 0.0000 176.7368 *73 F 4.2429 8.9150 122.3653 57.7473 37.9766 174.2525 74 N 5.3507 8.9374 117.8565 53.7798 38.9920 177.6570 75 S 4.2038 7.7491 117.2688 61.4236 62.9077 175.8204 76 R 3.8607 7.9547 121.8539 59.3520 29.7303 178.2632 77 Q 4.1590 8.1004 117.3622 58.8807 28.5436 178.4697 78 L 3.7252 7.5832 120.2374 58.3874 42.2407 178.8895 79 T 4.0012 8.2307 108.8599 64.8486 69.1986 176.1304 80 T 4.2003 8.3222 112.5325 62.5232 69.2357 175.2240 81 S 3.9526 7.2352 115.9264 58.0200 63.5184 174.4659 82 S 4.1894 8.2682 116.8641 61.2976 63.4130 172.4484 83 A 4.6529 6.8512 124.8616 51.2354 24.7340 176.1914 *85 L 4.4386 8.5665 115.3226 55.9364 43.6611 175.9021 86 I 4.5133 8.7914 125.5091 59.6246 39.6079 174.7150 87 I 4.7875 8.4733 129.2848 60.1021 38.6544 175.2760 88 F 5.2712 9.7834 126.4439 55.7939 42.3084 174.7610 89 G 4.4507 9.3659 108.9556 44.7676 0.0000 172.3708 90 D 5.1965 9.2624 125.6622 53.3018 41.4511 176.8877 91 L 4.1201 8.9711 127.6693 56.0333 42.4949 178.1050 92 Q 3.8342 7.9644 119.4257 54.5984 29.6011 177.4403 93 N 4.3689 7.6389 118.9328 56.0907 37.1138 175.2066 94 Y 4.2766 7.1845 118.7644 59.2856 37.7827 177.7468 95 E 4.1471 7.6078 119.9409 58.3176 29.7069 177.9784 96 K 4.3912 7.7359 117.2285 56.0057 32.3579 177.9268 97 A 4.0041 7.7792 123.4737 55.3700 18.2438 179.8980 98 E 3.8749 8.0897 116.5014 59.4505 29.5969 179.1095 99 Q 3.9612 8.0530 118.9976 59.3339 29.2226 178.3829 100 I 3.7073 8.1242 120.9459 64.8321 37.3507 178.2278 101 Y 3.9674 8.6622 117.9330 60.6545 37.5972 178.4467 102 G 3.7233 8.5939 107.3183 48.0875 0.0000 175.4027 103 D 4.6387 8.4791 122.4223 56.4760 40.6941 178.8114 104 A 3.9535 7.8278 121.2871 55.0024 18.3178 179.9370 105 V 3.5129 7.7072 116.3583 66.2092 31.2744 178.0344 106 E 4.0345 8.3885 118.4237 59.1321 28.9986 178.3800 107 Q 4.4574 7.8398 115.3344 54.7960 29.0861 175.4824 108 Q 3.5313 7.7278 117.3821 57.2717 26.6973 174.2184 109 L 4.2986 8.0601 115.8451 55.4859 42.1842 177.3413 *111 T 4.1739 7.4311 109.8556 61.4303 71.1008 174.4833 112 E 4.0615 8.5342 120.8788 59.2689 29.4371 179.3240 113 D 4.3712 8.0623 119.1262 56.5024 39.4073 178.6030 114 I 3.7044 7.6976 120.8749 63.8310 37.2258 177.9373 115 K 3.9639 8.0514 120.2362 59.7291 31.9399 178.6244 116 A 3.9674 8.1570 120.8372 55.2026 18.0613 179.6897 117 Q 3.9713 8.1737 116.6380 58.9325 28.7380 178.8581 118 L 3.7825 8.1775 120.2408 57.8855 41.7351 179.7091 119 L 3.5466 7.7088 118.6533 57.6244 41.2099 179.3368 120 D 4.3599 8.1011 118.5386 56.2768 40.7794 177.8150 121 W 4.7462 7.5114 115.2158 58.1066 29.0556 178.6567 122 I 3.3661 6.9905 121.0294 63.9053 36.3296 178.3862 123 L 3.7903 7.7127 119.7168 57.3841 41.4944 177.7833 124 P 4.2332 0.0000 0.0000 65.5483 31.0237 178.0611 125 Y 4.2949 7.6670 117.4529 61.2298 38.7964 177.4310 126 Y 3.8302 8.3719 117.8886 60.8668 37.7069 178.6395 127 K 3.6377 8.1424 118.7080 58.1777 32.2001 178.0744 128 N 4.6865 7.4190 114.0588 51.9842 39.2991 175.2203 129 L 4.0757 6.7897 120.5059 54.0022 42.3122 177.3152 130 S 4.2588 8.3259 116.8377 58.0834 63.6565 174.1780 131 R 3.9723 8.7121 122.1616 59.7368 30.1610 177.5121 132 E 4.0306 8.3859 118.0259 59.3244 29.9876 179.3136 133 G 3.6078 8.2852 105.0258 46.4320 0.0000 174.7429 *135 K 4.2032 8.1527 122.6213 56.2268 34.1267 177.6058 136 D 4.3675 8.2302 118.5109 57.3911 40.6699 178.7782 137 I 3.6989 7.4928 119.6751 64.7402 37.2051 179.0458 138 V 3.7830 7.7290 112.4025 64.0900 31.5156 178.3280 139 N 4.4258 8.4559 116.7867 56.2856 38.4066 177.4770 140 I 3.7577 7.8170 121.0994 64.5182 37.0547 178.2035 141 D 4.6028 8.0798 118.1707 57.8350 40.8296 178.9511 142 S 4.6739 8.2262 114.1105 61.7010 62.8460 176.7024 143 S 4.3817 7.9930 117.2981 61.2798 62.6337 176.5349 144 L 3.9627 7.6837 117.3758 55.9554 41.3607 177.5227 *146 A 4.0276 7.7190 120.5140 52.1043 20.0966 178.9059 *148 Q 4.2384 7.9551 122.1516 57.5865 30.8101 177.3552 149 L 4.2585 7.2521 116.3272 55.5094 41.5697 178.3571 *151 L 4.2648 8.0549 118.7480 54.6581 43.7655 179.3862 152 T 3.8827 8.2254 115.1414 66.4859 68.2743 176.4585 153 A 4.0994 8.3906 123.1354 55.1460 18.4317 179.6091 154 K 4.3847 8.3173 118.6530 59.2034 32.4015 178.5525 155 A 4.2658 8.3362 121.3191 55.5114 18.0437 178.5044 156 H 4.4181 8.1167 111.9076 56.3485 29.0931 176.4753 157 G 3.6889 8.4655 110.2163 44.9813 0.0000 173.1644 158 Y 4.7597 7.5003 117.9151 57.2499 40.3319 173.7850 159 D 5.5004 9.3906 119.6255 53.0956 45.8473 174.8815 160 T 5.7494 8.3178 108.6132 59.4973 73.4488 172.3248 161 N 5.2459 8.5289 119.6410 51.3897 41.8576 171.4643 162 P 5.0143 0.0000 0.0000 62.9767 32.6285 175.9088 163 I 4.7466 9.2767 123.0862 59.9145 40.7610 176.0424 164 G 4.0561 9.2257 113.8670 45.3797 0.0000 173.6071 165 G 3.9495 8.0552 111.1869 44.2828 0.0000 172.3170 166 F 4.8507 7.0103 112.6566 54.6337 41.7393 176.0615 167 D 4.4387 8.6413 121.9256 53.9451 38.8786 176.7892 168 K 3.9101 7.7504 124.1940 58.2584 32.6654 178.6604 169 E 4.0980 8.2729 117.9070 58.5856 29.5971 177.7723 170 N 4.9293 7.8934 112.9045 52.9580 39.9485 176.5617 171 I 3.7470 7.7144 120.5673 63.8769 38.0519 177.4405 172 A 4.0356 8.2268 121.1575 55.3939 18.3790 179.0778 173 D 4.3385 8.1649 116.7753 57.6683 40.7402 178.9121 174 I 3.7310 7.7835 119.3089 64.2805 37.2936 177.9116 175 I 4.0114 7.6245 110.8211 61.4104 37.8604 176.6972 176 G 3.9836 7.8318 109.2000 45.5983 0.0000 173.1572 177 Y 4.5257 7.6112 116.8891 56.8054 39.0965 175.6725 178 D 4.5698 8.7324 122.0614 54.0308 41.7664 177.2565 179 S 4.4307 8.6565 122.9941 60.6226 63.3514 175.1415 180 D 4.4155 8.3801 121.7910 56.6636 41.2106 176.5767 181 R 3.9746 7.7848 118.6243 56.9635 30.9350 175.0964 182 Y 5.3616 7.8359 115.3602 56.1781 39.9681 175.0829 183 V 4.7997 8.6967 118.7200 58.7839 34.3433 173.6127 184 P 4.2478 0.0000 0.0000 63.2039 31.6199 175.2924 185 V 4.3112 8.7573 123.6856 63.7297 32.5327 175.3187 186 L 4.8579 7.6000 117.6283 55.0499 43.8283 172.7127 187 A 5.0903 9.0190 121.2099 50.2817 22.3525 175.9643 188 I 4.9646 8.6968 119.6694 59.4433 40.5925 175.3427 189 A 4.2334 8.8155 130.2015 51.6167 19.8362 175.9529 190 I 4.6382 7.9949 121.4243 59.1334 41.9046 175.2563 191 G 3.8484 7.7254 114.5744 45.5162 0.0000 170.8114 192 K 4.5962 8.0433 120.8495 55.0159 33.4773 177.0988 193 K 4.1745 8.9492 128.6317 57.4153 32.0607 175.8490 194 A 4.7054 8.7867 127.5842 51.9697 20.8968 176.3705 195 Q 4.4019 7.6162 114.9049 53.9710 32.2941 174.1018 196 D 4.3945 8.4833 124.0132 53.9112 41.5707 176.3041 197 A 4.1245 8.1664 125.2093 52.2450 19.1132 177.2938 198 H 4.3697 8.4699 118.1573 55.3932 29.5460 175.7029 199 D 4.6076 8.4622 123.2559 54.4874 41.3702 175.6559 200 S 4.7065 8.0875 114.5777 56.8820 66.2372 173.7470 201 V 4.2985 8.0614 114.1184 60.1943 33.1455 175.7239 202 R 4.7440 7.9497 119.1809 53.8884 33.5550 175.8468 203 L 4.1507 8.3776 120.2993 53.9993 42.4063 175.6659 204 P 4.3767 0.0000 0.0000 62.6390 32.1144 177.1248 205 I 3.6352 8.5485 120.6255 64.6541 37.5913 177.8615 206 D 4.5027 8.0851 117.8274 56.5884 40.7863 177.1884 207 D 4.7062 8.0843 117.7982 54.6750 41.2949 177.0378 208 V 4.4178 7.7362 111.3845 60.6819 34.0169 175.7621 209 R 4.6639 7.6582 114.2655 54.2548 32.3415 173.7773 210 E 4.6153 8.1187 115.6371 54.8950 32.7283 174.1858 211 F 4.7520 8.6591 118.2956 55.8707 40.7186 176.2118 212 L 4.4154 8.5303 124.1463 54.9468 42.0915 176.2887 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 2 Q 8.34 4.41 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 3 K 8.60 4.08 0.00 1.84 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 4 L 8.96 4.25 0.00 1.32 1.33 0.30 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.07 4.12 4.18 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 1.17 0.00 0.00 6 R 8.49 4.41 0.00 1.64 1.88 0.00 3.06 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 7 I 8.18 4.43 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.87 0.00 0.00 8 N 8.95 4.53 0.00 2.71 2.87 0.00 0.00 7.11 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 9 D 7.88 4.62 0.00 2.80 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 10 F 9.01 4.00 0.00 3.20 3.09 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 11 N 8.39 4.22 0.00 2.99 2.97 0.00 0.00 6.76 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.59 3.87 0.00 2.14 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 2.26 2.28 0.00 13 V 7.75 3.46 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 0.86 0.00 0.00 0.94 0.00 0.00 14 L 7.09 3.77 0.00 1.18 1.57 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.07 4.45 0.00 2.88 2.83 0.00 0.00 7.04 7.18 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 16 S 7.46 4.69 0.00 3.98 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 17 R 7.21 4.08 0.00 1.88 1.83 0.00 3.37 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 18 K 8.08 4.60 0.00 1.70 1.62 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.60 7.81 19 S 8.52 4.50 0.00 3.87 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 20 V 8.21 4.02 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 0.12 0.00 0.00 0.87 0.00 0.00 21 K 8.29 4.34 0.00 1.67 1.75 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.33 7.81 22 V 6.99 4.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 23 F 8.85 5.27 0.00 3.01 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 D 9.34 4.56 0.00 2.74 2.68 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 25 E 9.05 4.33 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 26 N 8.41 4.71 0.00 2.88 2.86 0.00 0.00 6.81 7.01 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 27 Y 7.87 4.38 0.00 3.05 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 28 K 7.80 4.70 0.00 1.62 1.59 0.00 1.81 0.00 0.00 0.61 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.26 7.81 29 I 8.17 4.03 1.67 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.25 0.70 0.00 0.00 30 P 0.00 4.31 0.00 2.19 1.97 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 31 R 8.83 3.83 0.00 1.74 1.95 0.00 3.23 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 32 E 8.27 4.15 0.00 1.93 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 2.32 1.87 0.00 33 E 8.00 4.30 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 *35 D 8.21 4.53 0.00 2.91 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 36 E 8.31 3.92 0.00 2.08 2.15 0.00 0.00 0.00 0.00 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1.71 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.67 7.81 116 A 8.16 3.97 1.39 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 0.00 0.00 117 Q 8.17 3.97 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 118 L 8.18 3.78 0.00 1.78 1.49 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.71 3.55 0.00 1.49 1.47 0.75 0.04 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 0.00 120 D 8.10 4.36 0.00 2.88 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 0.00 121 W 7.51 4.75 0.00 3.59 3.30 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 0.00 122 I 6.99 3.37 1.20 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.26 0.00 0.00 123 L 7.71 3.79 0.00 1.67 1.57 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.23 0.00 2.25 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 2.30 2.14 0.00 125 Y 7.67 4.29 0.00 3.07 3.48 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 0.00 126 Y 8.37 3.83 0.00 3.00 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 0.00 127 K 8.14 3.64 0.00 1.52 1.58 0.00 1.41 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.91 7.81 128 N 7.42 4.69 0.00 2.80 2.83 0.00 0.00 7.02 8.65 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 0.00 129 L 6.79 4.08 0.00 1.56 1.41 0.28 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.33 4.26 0.00 3.95 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 0.00 131 R 8.71 3.97 0.00 1.77 2.01 0.00 3.23 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 132 E 8.39 4.03 0.00 2.03 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 2.37 2.30 0.00 133 G 8.29 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 0.00 0.00 0.00 *135 K 8.15 4.20 0.00 1.91 2.05 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 136 D 8.23 4.37 0.00 2.92 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 0.00 137 I 7.49 3.70 1.73 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.96 0.00 0.00 138 V 7.73 3.78 2.16 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 0.96 0.00 0.00 1.03 0.00 0.00 139 N 8.46 4.43 0.00 2.96 2.90 0.00 0.00 6.90 7.22 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 0.00 140 I 7.82 3.76 2.07 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 1.57 1.06 0.99 0.00 0.00 141 D 8.08 4.60 0.00 2.81 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 0.00 142 S 8.23 4.67 0.00 4.07 4.11 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 0.00 143 S 7.99 4.38 0.00 4.12 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 0.00 144 L 7.68 3.96 0.00 1.96 1.79 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 *146 A 7.72 4.03 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 *148 Q 7.96 4.24 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.13 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 149 L 7.25 4.26 0.00 1.63 1.70 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *151 L 8.05 4.26 0.00 1.78 1.71 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.23 3.88 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 1.23 0.00 0.00 153 A 8.39 4.10 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 0.00 154 K 8.32 4.38 0.00 1.88 1.96 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.39 7.81 155 A 8.34 4.27 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 0.00 156 H 8.12 4.42 0.00 3.43 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.47 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 0.00 158 Y 7.50 4.76 0.00 3.10 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 0.00 159 D 9.39 5.50 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.32 5.75 4.31 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 1.21 0.00 0.00 161 N 8.53 5.25 0.00 3.16 2.83 0.00 0.00 6.63 7.71 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 0.00 162 P 0.00 5.01 0.00 2.15 2.06 0.00 3.80 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 2.02 2.02 0.00 163 I 9.28 4.75 1.96 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 1.27 0.98 1.14 0.00 0.00 164 G 9.23 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 0.00 165 G 8.06 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 0.00 166 F 7.01 4.85 0.00 2.24 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.64 4.44 0.00 2.61 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 0.00 168 K 7.75 3.91 0.00 1.52 1.63 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.47 0.66 7.81 169 E 8.27 4.10 0.00 2.38 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 2.31 1.90 0.00 170 N 7.89 4.93 0.00 2.90 2.83 0.00 0.00 6.61 7.17 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 0.00 171 I 7.71 3.75 2.21 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.49 1.13 0.00 0.00 172 A 8.23 4.04 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 0.00 173 D 8.16 4.34 0.00 2.90 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 0.00 174 I 7.78 3.73 2.06 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 1.61 0.62 0.98 0.00 0.00 175 I 7.62 4.01 1.57 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 -0.36 0.92 0.00 0.00 176 G 7.83 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 7.61 4.53 0.00 2.59 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 0.00 178 D 8.73 4.57 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.66 4.43 0.00 4.13 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 0.00 180 D 8.38 4.42 0.00 2.67 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 0.00 181 R 7.78 3.97 0.00 1.53 1.30 0.00 2.83 0.00 0.00 2.70 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 182 Y 7.84 5.36 0.00 3.00 2.85 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 0.00 183 V 8.70 4.80 2.16 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 0.78 0.00 0.00 1.02 0.00 0.00 184 P 0.00 4.25 0.00 1.95 1.83 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 185 V 8.76 4.31 2.25 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 0.86 0.00 0.00 1.15 0.00 0.00 186 L 7.60 4.86 0.00 1.83 1.79 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 187 A 9.02 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 I 8.70 4.96 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.88 0.00 0.00 189 A 8.82 4.23 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 0.00 190 I 7.99 4.64 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.47 0.74 0.00 0.00 191 G 7.73 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 0.00 192 K 8.04 4.60 0.00 1.31 1.53 0.00 1.07 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.19 7.81 193 K 8.95 4.17 0.00 1.97 1.70 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.52 7.81 194 A 8.79 4.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.62 4.40 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 196 D 8.48 4.39 0.00 2.63 2.52 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 0.00 197 A 8.17 4.12 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 0.00 198 H 8.47 4.37 0.00 3.15 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 D 8.46 4.61 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 8.09 4.71 0.00 3.90 3.77 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 0.00 201 V 8.06 4.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 202 R 7.95 4.74 0.00 1.74 1.78 0.00 3.39 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 203 L 8.38 4.15 0.00 1.63 1.61 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.38 0.00 2.22 2.19 0.00 3.71 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 2.31 1.96 0.00 205 I 8.55 3.64 1.89 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 1.66 1.32 0.95 0.00 0.00 206 D 8.09 4.50 0.00 2.70 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 0.00 207 D 8.08 4.71 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 7.74 4.42 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 0.72 0.00 0.00 1.00 0.00 0.00 209 R 7.66 4.66 0.00 1.59 1.72 0.00 2.73 0.00 0.00 2.73 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.81 0.00 210 E 8.12 4.62 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 211 F 8.66 4.75 0.00 3.06 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 0.00 212 L 8.53 4.42 0.00 1.62 1.54 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.