NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 P 4.1429 0.0000 0.0000 62.2938 33.0390 175.2691 40 R 4.7909 7.6725 119.5080 53.8487 32.5661 172.4941 41 C 4.8434 8.8174 119.2519 57.8949 33.0864 175.9356 42 W 4.4556 8.8825 123.1510 58.5679 28.4460 176.5102 43 N 4.2716 7.4257 116.5729 55.5362 39.2584 175.5348 44 C 4.1140 7.9213 113.6851 62.2007 28.6105 175.1401 45 G 3.9691 8.0692 105.3210 44.5868 0.0000 173.5049 46 G 3.7963 7.8931 107.7125 45.7259 0.0000 171.6130 47 P 4.9351 0.0000 0.0000 62.0095 32.3149 176.2192 48 W 4.2987 8.9503 125.1332 56.2917 29.3843 176.7261 49 G 3.6895 8.7837 115.3170 44.9980 0.0000 172.5034 50 P 4.7663 0.0000 0.0000 62.4241 29.8412 175.3366 51 G 3.8944 7.2310 114.3546 45.4159 0.0000 170.5623 52 R 4.2216 8.3924 122.3740 55.5306 31.2485 176.5580 53 E 3.9427 8.6205 120.1115 59.6630 29.8120 178.0063 54 D 4.0307 7.6474 119.8473 54.8389 38.7325 176.9098 55 R 4.0307 6.8148 127.8389 54.9540 29.7245 176.8402 56 F 4.3098 7.3274 120.4873 59.8834 40.5158 177.4662 57 F 5.4783 7.8555 114.8131 55.3470 42.2089 174.8458 58 C 4.3895 9.0460 123.7302 58.6301 31.7171 172.8213 59 P 4.3249 0.0000 0.0000 65.0474 31.2050 177.0804 60 Q 4.3512 7.9970 117.1420 57.1237 29.8285 175.8106 61 C 4.6092 7.4344 108.4002 56.5799 31.1227 175.1077 62 R 4.0953 8.5299 119.4673 56.3906 29.4739 175.7176 63 A 4.6223 7.3771 117.8419 52.5080 19.6836 176.7397 64 L 4.5965 9.0996 123.9327 55.1781 42.5012 176.8438 65 Q 4.8185 9.1364 125.5570 54.5153 30.9037 175.3317 66 A 2.9325 8.0859 123.9100 51.2845 18.9145 176.1805 67 P 4.3400 0.0000 0.0000 62.0574 32.1699 175.9573 68 D 4.6047 8.6525 121.7043 53.2009 41.2242 175.3152 69 P 4.2963 0.0000 0.0000 65.7435 31.4789 177.6586 70 T 4.0319 8.5469 108.4730 63.0755 69.1796 174.8043 71 R 3.9712 7.5374 124.1212 55.9918 30.3495 175.9162 72 D 4.7553 8.5607 125.0254 52.7882 40.6723 176.8690 73 Y 4.4437 8.5439 117.5519 61.2388 38.1208 178.1556 74 F 4.3566 8.6286 118.3324 60.6186 39.4726 177.4943 75 S 4.1499 9.2948 114.9138 61.4206 62.1857 177.1131 76 L 4.1285 7.7378 120.1276 55.2323 41.4127 176.7173 *78 D 4.5675 7.9188 112.8110 52.8221 41.7062 172.9345 79 C 4.8008 8.6483 114.5524 56.9664 33.3431 174.2549 80 N 4.4055 8.5005 117.8964 52.7420 38.6190 175.1021 81 R 2.5100 8.1778 120.7941 56.9491 29.8433 175.9941 82 S 4.3917 6.6809 114.7637 56.8156 65.1269 174.8306 83 F 4.2442 8.6485 128.7941 60.6991 39.4878 175.3666 84 R 4.0860 7.6164 121.4876 55.4184 30.3502 175.8006 85 V 4.2484 7.8961 124.4258 60.4081 34.3619 173.9849 86 D 4.5124 8.7654 126.9837 54.1956 41.6080 176.4972 87 T 4.0235 8.4527 119.0074 64.1586 69.1395 176.4133 88 A 4.0273 8.0922 123.8390 54.9946 18.4487 179.5060 89 K 3.9513 8.3532 117.0659 59.4573 32.0810 179.0398 90 L 4.0277 8.2885 121.0353 58.5870 42.0324 178.9099 91 Q 3.8642 8.1434 118.8296 59.2745 28.9144 177.7277 92 H 4.1333 8.1051 118.8428 59.1785 29.9421 177.0069 93 R 3.9832 8.2860 120.7888 59.8511 29.9781 177.3902 94 Y 4.0089 8.1626 119.3657 61.0554 38.4555 178.5613 95 Q 3.6728 7.8126 117.8714 58.9905 28.6938 178.1922 96 Q 3.8623 7.6363 117.6806 59.3830 29.0349 179.5892 97 L 3.8654 7.8458 119.5024 57.6505 41.2314 179.2686 98 Q 3.8612 7.5997 118.8803 58.4236 28.6600 177.9632 99 R 3.9460 7.8225 119.3197 58.7563 30.0850 177.5494 100 L 4.3149 7.7683 118.0963 55.7839 42.3924 177.6916 101 V 4.4394 7.4537 108.2406 61.0228 33.6259 175.9926 102 H 4.2492 8.1875 119.8783 55.7380 31.1452 174.0114 103 P 4.8932 0.0000 0.0000 64.9175 30.9039 178.2535 104 D 4.2692 8.0245 116.8890 57.4736 40.7852 178.2014 105 F 4.4478 7.5308 115.2534 58.5550 39.3607 176.0841 106 F 4.9160 7.9947 117.2249 57.0171 39.4826 177.4442 107 S 4.2169 8.2736 117.2598 60.7771 62.8163 174.9746 108 Q 4.4936 8.0753 117.2683 55.5075 28.9011 174.8605 109 R 4.6894 7.5552 118.1970 53.9836 32.7764 176.3583 110 S 4.3653 8.4793 113.3307 58.9485 64.5763 174.9725 111 Q 3.8688 8.5237 123.2060 59.5664 28.8686 178.5479 112 T 3.1608 7.5876 116.2522 66.4595 68.3815 176.2731 113 E 3.9941 7.9098 119.8232 59.1506 29.4503 179.2399 114 K 3.8245 8.1264 118.6864 60.0264 32.0969 178.3410 115 D 4.2269 8.1173 118.7931 58.1428 40.6339 179.3700 116 F 4.4809 7.8438 117.5535 60.6229 39.0739 177.7889 117 S 3.8644 8.5098 113.2521 61.2049 62.1127 175.9278 118 E 3.8945 8.3397 122.0603 59.2897 29.4333 178.5771 119 K 3.9097 8.3808 118.7838 59.8479 32.1772 178.5149 120 H 4.0478 8.5420 116.4137 59.5010 28.8148 177.4744 121 S 4.1441 8.1214 114.2689 61.7058 62.1539 176.3175 122 T 3.8953 8.0032 118.2723 66.7061 68.2798 176.4620 123 L 4.0402 7.8934 120.6612 57.8279 41.6736 179.5513 124 V 3.6454 8.3549 118.4374 66.2559 31.3558 177.6705 125 N 4.5459 8.3105 115.8695 56.9820 38.4427 176.5443 126 D 4.1765 8.2618 119.7965 57.0193 40.8380 178.5116 127 A 2.5800 7.2515 120.4361 55.1953 18.4123 178.6653 128 Y 4.0041 7.9918 117.1679 60.9387 38.4439 178.4737 129 K 3.4191 7.9645 118.8784 59.8008 32.0255 179.2547 130 T 3.7280 7.6035 114.4649 66.7911 68.4683 176.4051 131 L 4.0006 7.7035 119.2448 56.8865 41.6881 178.9633 132 L 3.9486 7.3394 119.8703 56.6367 42.2136 176.9757 133 A 4.1884 7.1524 123.1466 50.8052 18.9203 175.8932 134 P 4.1040 0.0000 0.0000 66.0176 31.3691 178.3768 135 L 4.1032 7.9887 118.5130 58.4176 42.1106 179.1178 136 S 4.2360 8.0813 113.6558 61.2206 62.9379 176.0500 137 R 4.0737 8.5449 122.9165 59.3126 30.0029 178.2638 138 G 4.2143 8.9170 105.9110 48.4778 0.0000 175.4360 139 L 4.1629 8.2808 121.9024 57.4214 41.4832 179.1167 140 Y 4.2082 8.6530 120.0280 60.5499 38.2648 177.5728 141 L 4.0135 8.7704 121.8149 58.1087 42.0443 179.0397 142 L 3.9562 7.9864 118.6558 57.3354 41.5568 179.4839 143 K 3.9887 7.6360 118.4420 59.5683 31.8190 179.2296 144 L 3.9035 6.9514 117.5624 57.9475 41.5106 178.4768 145 H 4.4512 7.2359 112.5616 55.2511 28.6507 175.3518 146 G 3.7126 8.3951 108.8099 46.8010 0.0000 174.0845 147 I 4.3927 7.7673 120.2898 58.9844 39.4693 175.2374 148 E 4.4533 8.6532 126.2117 54.9126 30.8608 174.9161 149 I 4.4814 7.9354 124.7267 58.8151 39.2497 174.1442 150 P 4.4640 0.0000 0.0000 62.2159 31.9153 177.0645 151 E 4.1432 8.4782 122.7225 56.8143 27.5486 176.1585 152 R 3.6162 8.1501 127.2264 56.3520 28.7866 176.5166 153 T 3.9388 7.9036 113.1187 63.8058 68.5017 175.0156 154 D 4.6246 8.7471 126.4543 56.4160 41.7318 176.8655 155 Y 4.0685 8.1214 115.8176 60.4521 38.9418 176.6910 156 E 4.2730 7.4996 119.6858 56.0358 27.8539 176.1412 *158 D 4.4788 7.5215 119.7508 52.9794 42.3932 176.4348 159 R 3.8684 8.2688 118.6737 59.6575 30.1988 179.0497 160 Q 4.0050 8.2790 117.1754 59.1676 28.7020 179.0931 161 F 4.1213 8.0938 119.8869 61.2663 39.2756 176.7926 162 L 3.7449 7.5348 116.8086 58.0450 41.5360 179.2185 163 I 3.7729 7.5529 117.9817 64.6199 37.3034 177.7980 164 E 4.0996 7.8982 119.0509 59.4645 29.2466 179.9773 165 I 3.5671 7.0551 116.2871 61.7572 36.6374 177.5247 *167 E 4.1697 8.0800 122.2833 56.4248 31.4462 177.7083 168 I 3.6120 7.9321 119.6474 64.6219 37.1093 177.6234 169 N 4.1153 7.9459 116.9538 56.6364 38.3928 176.5263 170 E 3.8366 8.1432 119.4299 59.5050 29.6659 178.6830 171 K 3.8126 8.1879 118.3790 59.5876 31.9852 178.8833 172 L 3.8696 8.1531 118.6902 58.1129 42.1156 178.2790 173 A 4.1387 8.1799 119.5618 55.6057 18.3877 179.3329 174 E 4.2370 8.6818 115.4230 57.9524 29.5589 177.1244 175 A 4.0973 8.0274 122.2057 52.5551 18.1842 176.3287 176 E 4.5454 8.5966 121.5626 57.9174 32.1347 177.6855 177 S 4.3253 7.7561 112.4059 57.8114 63.7679 174.7976 178 E 3.9395 8.7068 122.6700 58.8970 30.0422 177.8984 179 A 4.2197 7.6355 118.6093 54.5036 18.8008 180.1556 180 A 3.9161 7.7327 120.3572 51.9672 18.0968 179.8101 *182 K 4.2820 8.2445 120.7567 58.0125 34.4899 178.2324 183 E 3.9155 8.2127 118.9722 59.3372 29.4290 178.8674 184 I 3.6547 7.4017 118.4601 64.5080 37.2102 177.7975 185 E 3.9666 8.2771 118.7513 60.1973 29.2857 179.1734 186 S 4.0930 8.3516 114.5766 61.9882 63.0698 176.6819 187 I 3.6899 8.3407 122.2040 64.8745 37.0882 178.6059 188 V 3.9654 8.5077 118.8607 66.1800 31.3992 178.1939 189 K 4.1115 8.6314 118.3982 59.0839 32.0426 179.2003 190 A 3.9947 8.6956 121.6062 55.0455 18.1915 179.9077 191 K 3.4991 7.9109 116.5729 59.4612 32.0777 179.4870 192 Q 4.0677 7.9781 118.3266 58.8457 28.6184 179.0592 193 K 3.9197 8.1166 120.3774 59.5456 32.3593 178.1201 194 E 3.8457 7.7741 119.0863 59.7262 29.2969 179.0757 195 F 4.5914 8.2503 117.7791 60.7655 38.8707 177.8699 196 T 4.0382 8.2259 115.4087 66.8447 68.3701 176.0559 197 D 4.4914 8.2525 120.7891 57.7543 40.9003 179.0667 198 N 4.3235 8.1795 116.6778 56.4326 38.6712 178.0332 199 V 3.4164 8.0727 120.6651 64.4578 31.3882 178.4905 200 S 4.3262 8.2898 116.1793 61.8059 62.7560 176.6679 201 S 4.3055 8.0440 117.3456 61.7405 62.5087 176.6597 202 A 3.8519 7.9067 123.2547 55.0492 17.8952 179.8281 203 F 4.2578 8.0607 116.0386 61.0725 38.9306 177.7016 204 E 3.6834 7.9789 116.6941 59.2996 29.3182 178.8363 205 Q 4.3863 7.7330 114.7101 54.7417 29.0988 175.4962 206 D 3.8321 8.5026 119.0553 55.1532 39.5081 175.3230 207 D 4.3099 7.5460 121.1634 53.3271 38.1192 176.5212 208 F 4.3313 7.0667 122.4800 60.0033 39.5829 176.7569 209 E 3.9578 8.1074 118.1122 59.1356 29.2748 178.7974 210 E 3.7778 8.2202 118.7381 59.2456 29.6935 178.6827 211 A 3.6339 7.7392 120.8007 54.8496 18.2454 179.5636 212 K 3.8258 8.2725 118.5318 59.8527 32.0492 178.0039 213 E 3.7487 7.6812 117.9936 59.7992 29.6922 178.4118 214 I 3.4099 7.9540 119.0593 64.4069 37.1030 178.6226 215 L 3.9545 7.8859 119.0934 58.0418 41.4908 179.4209 216 T 4.0470 7.7294 114.8424 66.0690 68.6867 176.1880 217 K 4.1257 7.4406 120.1819 56.6078 32.4220 179.1033 *219 R 4.2529 7.9784 120.8770 56.7751 31.8551 176.6093 220 Y 4.1238 8.1136 115.1317 61.6001 37.8731 179.0797 221 F 4.1259 8.9788 117.7647 60.4143 38.9736 177.8472 222 S 4.2144 8.3334 114.6019 61.6968 62.6583 175.8429 223 N 4.2833 7.9709 118.5510 56.8395 38.3751 177.3451 224 I 3.6673 7.8298 120.6488 64.4923 37.1336 178.3984 225 E 3.9873 8.5252 119.7214 59.4809 29.3125 179.0546 226 E 3.9842 8.3821 119.4789 59.1496 29.5870 178.9815 227 K 4.0431 8.4451 119.0267 59.2889 32.0022 179.4117 228 I 3.6906 7.7779 120.1087 64.3877 36.8693 178.5517 229 K 3.9468 7.8941 117.7727 59.5161 32.0541 179.0033 230 L 4.1271 8.3496 119.6044 57.7965 41.3362 179.5871 231 K 3.9973 8.1101 118.6623 59.0491 32.1916 178.1104 232 K 4.3187 7.8538 116.2721 56.7260 32.0943 178.6020 233 I 3.8526 7.4701 122.3202 64.0616 36.9862 176.3753 234 P 4.3192 0.0000 0.0000 64.1783 31.5335 176.3600 235 L 4.2712 7.4495 123.3493 55.6705 40.5567 176.2458 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 39 P 0.00 4.14 0.00 1.93 1.19 0.00 3.50 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 40 R 7.67 4.79 0.00 1.95 1.80 0.00 3.01 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.67 0.00 41 C 8.82 4.84 0.00 3.14 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 42 W 8.88 4.46 0.00 3.70 3.35 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 43 N 7.43 4.27 0.00 1.44 2.39 0.00 0.00 7.02 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 44 C 7.92 4.11 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.07 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 0.00 0.00 0.00 46 G 7.89 3.80 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 0.00 0.00 0.00 47 P 0.00 4.94 0.00 2.01 2.05 0.00 3.73 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 2.06 2.15 0.00 48 W 8.95 4.30 0.00 3.25 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 49 G 8.78 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 50 P 0.00 4.77 0.00 2.21 2.15 0.00 3.74 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 2.00 1.99 0.00 51 G 7.23 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.39 4.22 0.00 1.79 1.84 0.00 3.37 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 53 E 8.62 3.94 0.00 1.87 1.89 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 2.25 2.29 0.00 54 D 7.65 4.03 0.00 2.60 2.46 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 55 R 6.81 4.03 0.00 0.91 0.79 0.00 2.58 0.00 0.00 2.67 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.39 0.00 56 F 7.33 4.31 0.00 2.74 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 0.00 0.00 0.00 0.00 57 F 7.86 5.48 0.00 2.97 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 58 C 9.05 4.39 0.00 3.05 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 59 P 0.00 4.32 0.00 2.21 2.16 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 60 Q 8.00 4.35 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 61 C 7.43 4.61 0.00 2.96 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 62 R 8.53 4.10 0.00 1.96 2.13 0.00 3.19 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 63 A 7.38 4.62 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.10 4.60 0.00 1.98 1.80 0.40 0.57 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 65 Q 9.14 4.82 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 66 A 8.09 2.93 0.76 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 0.00 0.00 67 P 0.00 4.34 0.00 1.98 1.79 0.00 3.53 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.39 0.00 68 D 8.65 4.60 0.00 2.99 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 69 P 0.00 4.30 0.00 2.21 2.17 0.00 3.82 0.00 0.00 3.86 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 70 T 8.55 4.03 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 1.21 0.00 0.00 71 R 7.54 3.97 0.00 1.93 2.05 0.00 3.22 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 72 D 8.56 4.76 0.00 3.11 2.86 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 73 Y 8.54 4.44 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.63 4.36 0.00 3.35 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 75 S 9.29 4.15 0.00 3.87 4.16 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 76 L 7.74 4.13 0.00 1.79 1.95 1.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.82 1.85 0.00 2.99 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.10 0.00 153 T 7.90 3.94 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 1.31 0.00 0.00 154 D 8.75 4.62 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.12 4.07 0.00 3.04 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 0.00 156 E 7.50 4.27 0.00 1.92 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 2.43 2.44 0.00 *158 D 7.52 4.48 0.00 2.91 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 0.00 159 R 8.27 3.87 0.00 1.89 2.02 0.00 3.15 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 160 Q 8.28 4.00 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 161 F 8.09 4.12 0.00 3.24 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.53 3.74 0.00 1.83 1.66 0.85 1.02 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 0.00 163 I 7.55 3.77 2.01 0.00 0.00 0.84 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 0.30 0.88 0.00 0.00 164 E 7.90 4.10 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 165 I 7.06 3.57 1.55 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.24 0.69 0.00 0.00 *167 E 8.08 4.17 0.00 2.07 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 2.24 2.31 0.00 168 I 7.93 3.61 1.65 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 1.62 0.36 0.75 0.00 0.00 169 N 7.95 4.12 0.00 2.73 2.85 0.00 0.00 6.71 6.94 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 0.00 170 E 8.14 3.84 0.00 2.03 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 2.36 2.61 0.00 171 K 8.19 3.81 0.00 2.06 1.84 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 172 L 8.15 3.87 0.00 1.59 1.82 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.18 4.14 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 0.00 174 E 8.68 4.24 0.00 2.12 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 2.33 2.31 0.00 175 A 8.03 4.10 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 0.00 176 E 8.60 4.55 0.00 1.92 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 2.34 2.19 0.00 177 S 7.76 4.33 0.00 4.00 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 0.00 178 E 8.71 3.94 0.00 1.95 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 2.29 2.31 0.00 179 A 7.64 4.22 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 0.00 180 A 7.73 3.92 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 *182 K 8.24 4.28 0.00 2.06 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.64 7.81 183 E 8.21 3.92 0.00 2.05 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 2.31 2.36 0.00 184 I 7.40 3.65 1.87 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 1.51 0.57 0.91 0.00 0.00 185 E 8.28 3.97 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 186 S 8.35 4.09 0.00 4.06 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 0.00 187 I 8.34 3.69 2.05 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 1.42 1.21 0.97 0.00 0.00 188 V 8.51 3.97 2.40 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 1.24 0.00 0.00 0.98 0.00 0.00 189 K 8.63 4.11 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.65 7.81 190 A 8.70 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.50 0.00 1.62 0.92 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.82 7.81 192 Q 7.98 4.07 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.82 0.00 193 K 8.12 3.92 0.00 1.84 1.77 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 194 E 7.77 3.85 0.00 2.02 1.73 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 2.19 2.28 0.00 195 F 8.25 4.59 0.00 3.17 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 0.00 196 T 8.23 4.04 4.51 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 1.47 0.00 0.00 197 D 8.25 4.49 0.00 2.90 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 0.00 198 N 8.18 4.32 0.00 3.01 2.88 0.00 0.00 6.84 7.36 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 0.00 199 V 8.07 3.42 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 0.40 0.00 0.00 0.54 0.00 0.00 200 S 8.29 4.33 0.00 4.23 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 0.00 201 S 8.04 4.31 0.00 4.02 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 0.00 202 A 7.91 3.85 1.02 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 0.00 0.00 203 F 8.06 4.26 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 0.00 204 E 7.98 3.68 0.00 2.15 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 2.43 2.70 0.00 205 Q 7.73 4.39 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 206 D 8.50 3.83 0.00 2.49 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 0.00 0.00 0.00 0.00 207 D 7.55 4.31 0.00 2.50 2.45 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 0.00 208 F 7.07 4.33 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 E 8.11 3.96 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 210 E 8.22 3.78 0.00 2.07 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 0.00 2.18 2.22 0.00 211 A 7.74 3.63 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.27 3.83 0.00 1.89 1.93 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 213 E 7.68 3.75 0.00 1.94 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 2.16 2.18 0.00 214 I 7.95 3.41 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.69 0.00 0.00 215 L 7.89 3.95 0.00 1.62 1.74 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 216 T 7.73 4.05 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 1.27 0.00 0.00 217 K 7.44 4.13 0.00 1.21 1.07 0.00 0.99 0.00 0.00 1.17 0.00 0.00 2.29 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.73 7.81 *219 R 7.98 4.25 0.00 1.98 1.82 0.00 3.08 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 220 Y 8.11 4.12 0.00 3.81 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 0.00 221 F 8.98 4.13 0.00 3.32 3.33 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 0.00 222 S 8.33 4.21 0.00 4.12 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 0.00 223 N 7.97 4.28 0.00 3.00 2.89 0.00 0.00 7.10 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 0.00 224 I 7.83 3.67 1.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.82 0.00 0.00 225 E 8.53 3.99 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.74 0.00 226 E 8.38 3.98 0.00 2.22 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 0.00 2.31 2.40 0.00 227 K 8.45 4.04 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 228 I 7.78 3.69 2.07 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 1.52 0.65 0.92 0.00 0.00 229 K 7.89 3.95 0.00 1.89 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 230 L 8.35 4.13 0.00 1.83 1.72 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 231 K 8.11 4.00 0.00 1.92 1.94 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 232 K 7.85 4.32 0.00 1.99 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.60 7.81 233 I 7.47 3.85 1.96 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 1.52 0.98 0.91 0.00 0.00 234 P 0.00 4.32 0.00 2.04 2.12 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 235 L 7.45 4.27 0.00 1.71 1.64 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.