NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3895 8.3349 115.4100 57.5069 64.3516 173.3644 3 L 3.6810 8.1368 122.8123 53.9725 42.1659 175.8709 4 A 3.4917 7.9036 126.8146 50.9542 19.4804 176.3596 5 P 4.0795 0.0000 0.0000 64.0306 31.8264 177.0826 6 W 4.2276 5.9619 115.4569 56.4543 28.8995 178.2302 7 R 3.7023 7.2337 120.2618 59.2272 29.1958 178.9158 8 G 3.4247 7.7367 104.9203 47.5172 0.0000 175.4280 9 A 3.9896 7.7996 122.5619 55.0546 18.4583 179.5774 10 I 2.7976 7.6042 118.0489 64.2048 37.1110 178.5130 11 A 3.9277 8.0170 121.7266 55.4571 18.1975 179.2228 12 H 4.1422 8.4314 116.7373 59.0903 29.8649 177.4738 13 A 3.5802 7.8266 122.7957 54.8265 17.8157 179.5534 14 L 3.9404 7.4406 116.5910 58.1754 41.8737 178.9484 15 H 4.2924 8.2315 118.0730 59.3640 29.6910 177.0859 16 R 4.1194 7.6545 116.7428 57.3124 30.2390 176.8060 17 N 4.8976 7.4794 115.7758 52.7329 39.1264 176.6608 18 R 3.9946 7.5753 117.0214 58.5610 29.5358 178.0758 19 S 4.1191 7.9249 112.1713 59.5995 63.6830 173.6683 20 L 4.1155 7.6478 122.4564 52.4841 42.1797 177.0586 21 V 3.4637 8.1756 125.0439 66.0207 31.6802 176.9572 22 Y 2.7302 7.0919 114.9329 57.2273 38.1639 176.5777 23 A 4.0723 7.3332 123.6054 54.3338 18.7770 178.3103 24 R 4.8103 7.6723 114.9980 56.2957 30.3522 174.8673 25 Y 5.5567 7.5884 116.8537 56.5365 39.5980 175.0143 26 L 4.7531 8.7547 122.7156 54.3657 45.0042 174.6629 27 Q 4.9678 8.8436 118.4742 54.0854 31.3459 174.5015 28 L 4.7421 8.8841 126.7654 53.2298 44.3028 174.6363 29 A 5.2760 8.8917 129.1187 50.7422 21.3324 175.7446 30 T 4.8865 8.7764 111.4189 59.9018 73.0886 172.4521 31 V 4.7784 8.2097 120.4875 61.1655 33.7226 175.4166 32 Q 4.3590 9.2291 126.6833 54.6352 29.5542 175.2215 33 P 4.2167 0.0000 0.0000 65.9015 31.3436 177.3403 34 N 4.5186 8.0675 112.3365 53.2547 37.4981 175.7968 35 G 3.9727 8.4509 108.7159 45.2040 0.0000 174.0277 36 R 4.5382 8.1601 119.3010 54.6584 31.7651 174.5888 37 P 5.0468 0.0000 0.0000 62.8673 32.7831 175.1416 38 A 4.8238 8.9207 121.2236 50.5925 22.9956 174.8548 39 N 5.4277 8.5795 118.3951 52.4259 42.1030 173.6783 40 R 4.7123 8.5805 120.8699 55.1702 33.4763 174.1869 41 T 4.6993 8.3139 116.9773 63.4814 69.5038 174.0752 42 L 4.8209 8.8630 124.5977 52.7597 46.5498 175.5134 43 V 4.6226 8.2532 120.7428 62.0134 32.3628 175.3980 44 F 4.0901 9.3439 131.9325 57.8912 39.8535 175.2951 45 R 4.1867 7.6337 126.5544 55.6037 30.7098 177.2470 46 G 3.4763 5.3800 103.4738 44.7461 0.0000 173.1197 47 F 4.8871 8.2340 116.9181 56.5217 40.3622 175.7898 48 L 4.3053 8.8968 125.1003 54.5596 43.0636 176.1032 49 E 4.1268 8.8838 124.3098 57.4964 30.0939 176.2327 50 D 4.4462 8.9489 120.3983 55.2233 38.5008 172.9479 51 T 4.7382 7.7355 107.8895 60.7830 71.9491 173.0155 52 N 4.8545 8.6711 115.5447 53.2195 38.8989 175.0098 53 Q 4.8073 8.3568 118.9138 55.6546 30.3551 175.1498 54 L 4.5004 8.9850 123.6920 53.9674 43.6968 175.7904 55 R 4.7910 8.0700 122.1034 54.7776 32.4428 175.5125 56 F 5.2976 9.1100 121.1467 55.9081 44.1219 173.2657 57 I 4.9804 8.2782 112.5291 59.9877 40.5286 174.3146 58 T 4.6245 8.3524 116.6038 61.4165 71.6790 171.3627 59 D 5.6022 8.5597 124.6297 53.1339 42.5423 177.4707 60 T 3.9373 9.0706 116.2883 64.5339 68.8808 176.1311 61 R 4.0733 8.3642 120.3189 57.2535 30.6648 177.0210 62 S 4.3632 7.8338 113.3617 57.4030 64.1899 175.0869 63 A 4.0647 8.6651 123.8007 55.3295 17.9566 180.2990 64 K 4.1413 8.0691 116.5428 59.7534 32.6164 179.0746 65 A 3.9449 7.8025 121.8005 55.3496 18.4008 179.1642 66 D 4.3296 8.0524 115.9061 57.3267 41.3405 178.2017 67 Q 4.0171 7.9755 118.3056 59.0634 28.5039 178.9082 68 I 3.9041 7.8824 119.9646 64.4922 37.2101 178.1270 69 Q 4.1605 7.9186 117.9563 59.1307 28.5895 178.6292 70 Q 4.4901 7.9279 117.9134 57.2637 29.3756 175.9583 71 Q 4.3730 8.1148 120.6129 53.9752 29.9687 172.1579 72 P 4.6293 0.0000 0.0000 63.4834 32.5731 175.6349 73 W 4.7837 8.4893 132.1054 57.2886 31.3748 175.0497 74 A 5.0470 8.4416 127.7636 50.1229 23.0159 174.0819 75 E 4.9093 8.8856 119.4567 54.4526 32.9364 174.7591 76 I 4.7488 8.3720 120.3012 60.0304 40.3793 173.9286 77 C 5.3813 9.0765 124.4204 57.4599 34.6093 172.3751 78 W 5.2816 9.5809 135.0000 56.0280 33.5901 172.8114 79 Y 5.2616 8.9515 128.7161 55.9617 41.1143 174.1379 80 F 4.3635 8.2675 125.7477 55.1674 40.0256 174.8821 81 P 4.2286 0.0000 0.0000 65.0372 31.6218 178.1319 82 N 4.5252 8.7467 115.9815 55.3621 38.5701 175.9174 83 T 4.2824 7.7668 105.0578 60.4520 70.1928 174.0244 84 R 4.3153 8.1495 120.7807 56.7742 28.1789 175.0732 85 E 5.2623 7.5545 113.8423 54.6039 33.9209 175.3442 86 Q 5.3428 9.2801 122.2127 54.5403 32.7747 173.7625 87 F 5.3278 9.7895 124.7316 55.9782 41.9505 175.1738 88 R 5.8583 9.3577 122.1467 53.6228 33.7456 174.6728 *90 A 4.3097 8.2936 120.4069 51.7172 20.3646 176.7594 91 G 2.8567 6.4870 105.7045 45.9418 0.0000 171.1178 92 D 5.0382 7.4966 118.9468 53.5560 42.4138 176.1967 93 L 5.0504 8.4473 122.8852 54.2068 43.4135 176.2623 94 T 4.5338 8.8684 118.8687 61.6414 71.6888 172.6374 95 L 4.8149 8.6266 128.5996 53.5341 43.8984 175.5518 96 I 4.3939 8.8054 129.3968 60.0818 38.5969 174.5222 97 S 5.1703 8.3183 126.2864 57.2170 64.7453 174.1543 98 S 4.3718 8.5229 114.0999 59.0519 63.4452 173.6433 99 D 4.6185 7.7750 121.8065 53.3906 39.9755 175.4005 100 D 5.0999 8.2013 115.3282 52.7082 39.4629 177.8671 101 S 4.1691 8.2314 118.3513 61.9053 63.5870 174.5434 102 H 5.0005 7.6574 116.3555 54.5427 29.0949 174.1999 103 Q 4.0163 8.0146 121.4132 58.9225 29.3499 179.3425 104 D 4.4075 8.1578 116.0935 55.5439 39.6676 177.3568 105 L 4.5907 7.9694 118.9433 54.5816 41.8408 177.9787 106 Q 4.0157 7.9218 120.9934 58.7039 28.5639 176.8686 107 P 4.2576 0.0000 0.0000 65.5893 31.1045 178.4617 108 A 3.9866 7.8890 118.2269 55.0652 18.4595 179.1378 109 R 4.0939 7.8417 116.1872 59.6841 30.5005 178.5311 110 I 3.9639 8.2501 119.7766 64.1834 37.0830 179.1207 111 A 4.0591 8.1056 119.0867 52.4313 17.8996 178.9902 *113 W 4.1863 7.9454 131.6247 58.9177 32.2843 177.6689 114 Q 4.0420 8.0989 115.5611 58.7208 28.2071 177.5709 115 E 4.0775 7.8780 116.2589 58.0529 29.8247 177.2957 116 L 4.0655 6.9447 118.5365 54.1603 42.3397 177.4812 117 S 4.3255 8.1285 115.6428 57.9259 65.1405 174.8897 118 D 4.1844 8.5110 121.8436 57.5878 39.9880 178.9663 119 A 3.9374 7.9580 120.3191 55.1638 18.1521 179.4478 120 A 3.8660 7.5918 117.9988 55.3619 18.8716 179.7903 121 R 3.7664 7.8415 116.6098 59.2152 29.8847 179.2083 122 L 4.0424 8.0757 118.9852 57.9626 41.5841 179.5681 123 Q 2.5200 7.3659 116.6977 57.9704 28.1634 178.3542 124 F 4.2245 7.9340 117.1891 58.8046 39.0579 176.5585 125 G 4.0809 7.9289 104.8009 43.5373 0.0000 174.0107 126 W 4.4583 7.2406 121.1651 55.2184 29.7612 174.2265 127 P 4.3782 0.0000 0.0000 62.2746 31.3888 175.3594 128 Y 3.8693 8.6667 119.8687 57.0983 38.7397 173.9347 129 P 4.4030 0.0000 0.0000 64.3777 31.7246 176.8555 130 G 4.0095 9.0511 109.5339 45.4374 0.0000 173.6166 131 K 4.3610 7.4661 118.7325 54.3792 33.1462 174.8297 132 P 4.1900 0.0000 0.0000 62.9260 31.5562 176.6186 133 R 3.9872 8.5486 122.9736 56.2746 30.3597 176.1049 134 I 3.9183 8.4561 126.8650 61.5413 37.4848 176.2652 135 K 4.2189 8.6186 124.3561 57.5891 32.7507 176.7732 136 E 4.3173 8.1662 122.2677 55.9131 30.4197 178.3566 *137 S 4.1769 8.8510 120.4581 60.8243 63.0150 173.4313 138 G 3.7892 8.3802 108.0239 48.9392 0.0000 175.3899 139 A 3.8999 7.6851 121.9253 54.2022 18.3650 177.9911 140 F 4.2223 7.9067 112.6234 57.2729 39.5822 175.8352 141 E 4.9081 7.9013 119.8681 54.9720 29.8348 174.0850 142 P 4.5366 0.0000 0.0000 62.1206 32.6742 176.3574 143 S 4.2922 8.3695 113.9643 57.2509 62.9348 172.1812 144 P 4.3655 0.0000 0.0000 62.1105 31.4663 174.4207 145 P 4.5613 0.0000 0.0000 61.7601 31.7370 175.2409 146 D 4.3762 8.7475 117.8540 54.4650 41.0228 174.7679 147 P 4.2429 0.0000 0.0000 63.6441 32.0753 176.6049 148 I 4.1986 8.6453 120.3011 62.2588 38.1577 175.6510 149 E 4.5095 7.7471 120.5031 53.2795 30.9760 174.2528 150 P 2.0000 0.0000 0.0000 61.6314 32.1058 176.7268 151 V 3.6993 5.8969 113.1986 60.1861 32.3409 175.7714 152 P 4.2031 0.0000 0.0000 65.1150 31.4116 177.2199 153 N 4.9764 7.9622 113.3511 51.9561 37.8854 173.8056 154 F 4.4598 7.8644 123.0164 58.1597 40.0758 174.3811 155 C 4.7538 8.2395 123.2870 57.6099 31.8143 172.5926 156 L 4.5503 8.1652 124.9070 53.7690 43.4718 174.7417 157 L 5.1355 9.0947 128.7418 53.3277 44.4748 174.7266 158 L 5.3018 8.9097 126.4468 52.9068 44.7292 175.0141 159 L 4.9731 8.8795 124.9472 53.4348 44.7050 174.5816 160 D 5.1869 8.7541 126.7659 51.8262 42.0212 173.0077 161 P 4.7153 0.0000 0.0000 62.8239 31.8118 176.7298 162 V 4.3536 9.1749 116.1256 61.2618 33.9756 175.1573 163 Q 5.3210 8.1831 121.0873 54.5819 32.3872 173.9056 164 V 4.7136 9.4590 125.4857 61.1676 35.2133 173.3292 165 D 5.5121 9.4035 127.6793 52.9444 43.6804 173.8554 166 H 5.0977 9.6110 127.3729 54.3444 32.1654 172.5340 167 L 4.9944 8.7968 128.6426 53.3123 44.7032 174.6254 168 E 4.8524 9.2009 126.6788 54.7584 30.6861 176.9441 169 L 4.0394 8.9566 126.0082 56.5437 42.3329 178.7389 170 R 4.4451 7.8186 119.8076 54.5390 29.2515 175.9372 171 G 4.2453 8.3684 113.5328 45.0043 0.0000 171.9793 172 E 4.7326 8.5278 113.2769 54.3025 30.1622 173.5021 173 P 4.6686 0.0000 0.0000 64.3521 32.9535 176.5190 174 Q 5.0064 7.6975 115.2717 54.2198 33.2158 174.0042 175 N 5.1236 8.9676 118.2818 51.5544 42.2892 173.6962 176 R 5.1352 8.2659 121.7736 54.5321 33.9171 173.5084 177 W 5.1206 9.3877 125.4949 54.7183 33.2676 173.8425 178 L 5.3579 8.9233 126.0257 53.5630 44.2950 174.5044 179 Y 5.6321 9.6759 123.5168 56.7014 41.4840 174.1523 180 H 5.4895 9.8520 122.5268 54.5696 33.8986 171.6030 181 R 4.2195 7.9294 125.9638 54.4364 31.3693 175.8979 182 N 4.7754 8.4748 124.7846 51.3456 39.5308 175.2670 183 D 4.3877 8.5238 116.5970 56.3604 39.4391 176.9151 184 Q 4.2443 8.1524 116.8117 55.6623 28.7899 175.8352 185 Q 3.5869 7.8775 115.6379 56.4821 26.8383 172.6621 186 E 4.6187 8.1865 118.2983 55.0400 31.2465 175.3906 187 W 5.2874 8.9080 124.0685 55.8009 30.8169 175.7563 188 S 5.2524 9.5476 118.2244 56.7288 66.0041 172.9393 189 S 5.5015 8.6868 114.4838 57.1487 66.3949 172.8582 190 E 4.8073 9.0612 117.5965 55.0553 33.0393 174.0713 191 A 3.2966 7.5928 125.3157 51.2486 18.9649 176.5223 192 I 4.5496 7.9258 115.3147 58.5059 41.2182 175.1523 193 N 4.3882 8.5539 120.4999 52.3878 39.0400 173.7811 194 P 4.3885 0.0000 0.0000 63.1753 31.3945 176.0898 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 S 8.33 4.39 0.00 3.96 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 3 L 8.14 3.68 0.00 1.52 1.30 0.75 0.19 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 4 A 7.90 3.49 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.08 0.00 2.24 2.13 0.00 2.30 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.07 0.00 6 W 5.96 4.23 0.00 3.15 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 0.00 0.00 0.00 7 R 7.23 3.70 0.00 1.39 1.53 0.00 2.48 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 8 G 7.74 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.80 3.99 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 10 I 7.60 2.80 1.93 0.00 0.00 -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 1.02 0.94 0.84 0.00 0.00 11 A 8.02 3.93 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 12 H 8.43 4.14 0.00 3.16 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.83 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.44 3.94 0.00 1.71 1.81 1.06 1.24 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 15 H 8.23 4.29 0.00 3.28 3.28 0.00 5.77 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 16 R 7.65 4.12 0.00 1.73 1.84 0.00 3.02 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 17 N 7.48 4.90 0.00 2.94 2.82 0.00 0.00 6.63 8.61 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 18 R 7.58 3.99 0.00 1.84 2.22 0.00 3.05 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 19 S 7.92 4.12 0.00 3.95 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 20 L 7.65 4.12 0.00 1.23 0.34 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.18 3.46 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 1.04 0.00 0.00 0.92 0.00 0.00 22 Y 7.09 2.73 0.00 3.03 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 23 A 7.33 4.07 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 24 R 7.67 4.81 0.00 1.93 2.21 0.00 3.25 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 25 Y 7.59 5.56 0.00 2.99 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 26 L 8.75 4.75 0.00 1.48 0.56 0.61 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.84 4.97 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 28 L 8.88 4.74 0.00 1.35 1.29 0.68 0.81 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 29 A 8.89 5.28 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 30 T 8.78 4.89 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 1.18 0.00 0.00 31 V 8.21 4.78 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 0.91 0.00 0.00 0.98 0.00 0.00 32 Q 9.23 4.36 0.00 2.36 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 33 P 0.00 4.22 0.00 2.04 2.15 0.00 3.68 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 2.05 2.11 0.00 34 N 8.07 4.52 0.00 2.81 2.93 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.45 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 36 R 8.16 4.54 0.00 1.91 1.85 0.00 3.13 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 37 P 0.00 5.05 0.00 2.09 2.07 0.00 3.72 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 1.99 1.98 0.00 38 A 8.92 4.82 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 39 N 8.58 5.43 0.00 2.67 2.64 0.00 0.00 6.82 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 40 R 8.58 4.71 0.00 1.82 1.91 0.00 3.06 0.00 0.00 3.07 7.23 0.00 0.00 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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 1.39 0.94 1.08 0.00 0.00 58 T 8.35 4.62 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 1.18 0.00 0.00 59 D 8.56 5.60 0.00 2.69 2.47 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 60 T 9.07 3.94 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 61 R 8.36 4.07 0.00 1.51 0.92 0.00 2.24 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 62 S 7.83 4.36 0.00 4.00 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 63 A 8.67 4.06 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 64 K 8.07 4.14 0.00 1.96 2.06 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.47 7.81 65 A 7.80 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 6.89 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.77 4.28 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 1.10 0.00 0.00 84 R 8.15 4.32 0.00 2.13 2.15 0.00 3.14 0.00 0.00 3.37 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 85 E 7.55 5.26 0.00 2.02 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 2.23 2.35 0.00 86 Q 9.28 5.34 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 87 F 9.79 5.33 0.00 3.19 2.99 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 88 R 9.36 5.86 0.00 1.84 1.94 0.00 3.24 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 *90 A 8.29 4.31 1.57 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 0.00 0.00 91 G 6.49 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.51 4.18 0.00 2.65 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 0.00 119 A 7.96 3.94 1.30 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 0.00 0.00 120 A 7.59 3.87 1.26 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 0.00 0.00 121 R 7.84 3.77 0.00 1.61 1.48 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 122 L 8.08 4.04 0.00 1.84 1.76 0.96 1.09 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 0.00 123 Q 7.37 2.52 0.00 1.44 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 124 F 7.93 4.22 0.00 3.44 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 0.00 125 G 7.93 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 0.00 0.00 0.00 126 W 7.24 4.46 0.00 3.38 2.99 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 0.00 127 P 0.00 4.38 0.00 2.15 1.95 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.34 0.00 128 Y 8.67 3.87 0.00 3.05 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 0.00 129 P 0.00 4.40 0.00 2.25 2.08 0.00 3.25 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 1.99 1.85 0.00 130 G 9.05 4.01 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 0.00 0.00 0.00 131 K 7.47 4.36 0.00 1.78 1.77 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.42 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.68 1.46 7.81 132 P 0.00 4.19 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 133 R 8.55 3.99 0.00 1.76 1.86 0.00 3.41 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 134 I 8.46 3.92 1.98 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 1.45 0.88 1.03 0.00 0.00 135 K 8.62 4.22 0.00 1.75 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 136 E 8.17 4.32 0.00 2.09 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 2.38 2.37 0.00 *137 S 8.85 4.18 0.00 3.65 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 0.00 138 G 8.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.69 3.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 7.91 4.22 0.00 2.97 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 0.00 141 E 7.90 4.91 0.00 2.08 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 0.00 2.30 2.42 0.00 142 P 0.00 4.54 0.00 2.26 2.13 0.00 4.12 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 2.13 2.14 0.00 143 S 8.37 4.29 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.37 0.00 2.22 2.04 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 145 P 0.00 4.56 0.00 2.54 2.30 0.00 3.81 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 2.15 2.36 0.00 146 D 8.75 4.38 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.24 0.00 2.15 2.06 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 148 I 8.65 4.20 2.04 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 1.33 0.90 0.93 0.00 0.00 149 E 7.75 4.51 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 150 P 0.00 2.00 0.00 1.65 1.11 0.00 3.52 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 151 V 5.90 3.70 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 0.75 0.00 0.00 0.88 0.00 0.00 152 P 0.00 4.20 0.00 2.01 2.07 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 153 N 7.96 4.98 0.00 3.10 3.06 0.00 0.00 6.38 8.12 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 0.00 154 F 7.86 4.46 0.00 2.32 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 0.00 155 C 8.24 4.75 0.00 2.83 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 0.00 156 L 8.17 4.55 0.00 1.68 1.42 0.91 0.34 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 0.00 157 L 9.09 5.14 0.00 1.71 1.69 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.91 5.30 0.00 1.61 1.72 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.88 4.97 0.00 1.85 1.70 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.75 5.19 0.00 3.10 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 0.00 161 P 0.00 4.72 0.00 2.27 1.93 0.00 4.17 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 162 V 9.17 4.35 2.04 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 0.74 0.00 0.00 1.27 0.00 0.00 163 Q 8.18 5.32 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.84 0.00 164 V 9.46 4.71 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 0.70 0.00 0.00 0.10 0.00 0.00 165 D 9.40 5.51 0.00 2.85 2.61 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 0.00 166 H 9.61 5.10 0.00 3.20 3.32 0.00 5.60 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.80 4.99 0.00 1.77 1.50 0.92 0.89 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 0.00 168 E 9.20 4.85 0.00 1.86 1.83 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 2.12 1.95 0.00 169 L 8.96 4.04 0.00 1.69 1.78 1.03 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.82 4.45 0.00 1.80 1.90 0.00 3.14 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 171 G 8.37 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 0.00 0.00 0.00 0.00 172 E 8.53 4.73 0.00 2.18 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 2.20 1.83 0.00 173 P 0.00 4.67 0.00 2.21 2.29 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 174 Q 7.70 5.01 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 175 N 8.97 5.12 0.00 2.80 2.81 0.00 0.00 6.60 7.05 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 0.00 176 R 8.27 5.14 0.00 1.79 1.82 0.00 3.11 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 177 W 9.39 5.12 0.00 3.34 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 0.00 178 L 8.92 5.36 0.00 1.78 1.53 1.07 1.15 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 0.00 179 Y 9.68 5.63 0.00 3.27 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 0.00 180 H 9.85 5.49 0.00 3.39 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.93 4.22 0.00 0.67 1.08 0.00 3.09 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 182 N 8.47 4.78 0.00 2.98 2.98 0.00 0.00 6.34 8.07 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 0.00 183 D 8.52 4.39 0.00 2.81 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 0.00 184 Q 8.15 4.24 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.50 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 185 Q 7.88 3.59 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 186 E 8.19 4.62 0.00 2.06 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 2.30 2.47 0.00 187 W 8.91 5.29 0.00 3.27 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 0.00 188 S 9.55 5.25 0.00 3.97 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 0.00 189 S 8.69 5.50 0.00 3.60 3.87 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 0.00 0.00 0.00 0.00 190 E 9.06 4.81 0.00 1.94 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 2.22 2.21 0.00 191 A 7.59 3.30 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 4.55 1.79 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 1.10 0.67 0.82 0.00 0.00 193 N 8.55 4.39 0.00 2.69 2.76 0.00 0.00 6.93 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.39 0.00 2.02 1.98 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.