NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 F 4.7673 8.1827 119.3802 57.4918 41.4207 172.5801 12 V 4.6358 8.4313 118.6766 61.2980 34.0064 172.9678 13 M 5.0534 8.9245 126.8139 53.6055 37.3053 173.8630 14 S 5.0468 8.4294 113.6744 56.7697 66.0864 173.0990 15 A 4.8414 9.0267 125.7943 49.2768 21.4767 175.4421 16 P 4.1356 0.0000 0.0000 65.3751 32.0006 175.5493 17 D 4.5787 7.4490 116.8398 52.0613 41.8645 176.0312 18 I 3.8117 8.2634 112.2288 63.8844 37.5698 178.3759 19 R 4.0482 8.2659 119.2205 58.5229 29.9391 176.8408 20 H 4.6557 8.1672 113.3157 55.3594 29.2624 175.4542 21 L 4.2004 7.3558 120.0864 53.5245 41.9953 175.1828 22 P 4.3789 0.0000 0.0000 62.3710 31.7821 175.7387 23 S 3.8687 8.4381 112.2305 58.8659 63.0183 174.8746 24 D 4.6926 8.5326 129.1729 54.2950 39.8453 174.2090 25 T 4.7068 7.2212 108.9775 60.6943 73.3260 175.8425 26 G 4.0415 9.1568 108.0861 45.7511 0.0000 173.3479 27 I 5.1564 9.2227 122.8483 59.7845 41.8959 174.1586 28 E 5.5429 9.4139 122.8807 55.0126 33.8141 174.0795 29 V 4.7727 9.0192 119.9508 61.2047 34.8658 174.3651 30 A 5.4990 8.6957 128.9233 50.5987 22.1515 175.4088 31 F 5.2705 9.6797 117.6323 55.7906 42.8556 174.3972 32 A 5.0351 9.6335 123.9532 49.9293 23.4023 175.1806 33 G 4.5261 7.9358 107.8700 46.0457 0.0000 172.1884 34 R 4.1715 7.8000 119.7211 55.1061 31.1433 176.9302 35 S 4.0337 8.2680 115.3940 59.3005 63.7130 173.8044 36 N 4.2795 8.7999 118.0191 54.6380 35.1569 174.8267 37 A 4.3687 8.1856 119.6460 52.0447 19.9137 178.7928 38 G 3.9257 8.1225 104.2291 45.9075 0.0000 175.7346 39 K 3.8527 8.1688 121.0632 59.3167 32.2200 178.4340 40 S 3.9887 7.9479 112.6660 61.6645 62.2014 176.1524 41 S 4.1422 8.0431 115.6322 61.4133 62.8608 176.2426 42 A 4.3072 8.4035 123.9441 55.2715 18.1607 179.7088 43 L 3.6191 7.9237 117.5703 57.7942 41.3371 179.4314 44 N 4.4128 8.0043 115.5987 55.6442 38.5042 176.6260 45 T 4.2007 7.7182 109.6836 62.9071 69.3440 175.2217 46 L 4.4392 7.7241 121.2785 55.6900 42.9297 176.1004 47 T 4.7140 7.3837 106.0619 59.8962 71.8337 172.8424 48 N 4.9996 8.3627 116.2726 52.4000 40.2701 176.0165 49 Q 4.1858 8.2273 116.5812 56.9436 28.0658 178.9927 *63 Q 3.9915 8.8131 126.0017 56.6822 29.7540 174.7555 64 L 4.3967 8.1471 116.6777 55.1716 43.2183 176.5041 65 I 4.4123 8.5176 122.2580 59.9937 39.0337 174.6923 66 N 5.1462 8.4814 124.9169 51.9100 40.7031 174.3824 67 L 5.2027 8.4689 121.8367 52.9389 46.3962 175.5699 68 F 5.1729 9.0380 120.1925 55.7571 42.7496 173.4895 69 E 4.8476 8.9185 125.8672 55.4647 29.6397 176.4933 70 V 3.9201 8.5676 120.1681 61.9066 32.1363 175.2381 71 A 4.3402 7.4670 121.5933 51.2692 21.3006 175.8118 72 D 4.4373 8.4560 117.6724 57.6556 41.3664 179.2475 73 G 4.3345 7.7716 104.7492 45.9750 0.0000 171.9490 74 K 5.3098 8.0605 119.0609 54.4746 35.8231 176.7596 75 R 5.3663 9.4218 123.7607 54.3859 34.6538 174.4245 76 L 5.5696 9.2225 121.4866 53.2566 44.7598 175.6714 77 V 4.8558 9.4721 123.0419 61.2608 34.4896 173.7500 78 D 5.1968 9.5237 128.9574 52.8237 41.9152 175.0264 79 L 4.4754 8.6482 127.2101 53.1737 42.6031 175.5923 80 P 4.1569 0.0000 0.0000 63.0874 31.4143 176.3040 81 G 4.1148 8.7644 111.0892 46.2155 0.0000 172.5645 82 Y 4.9582 7.4082 120.1510 56.6630 39.2510 176.5913 83 G 4.1130 7.7748 107.4625 46.0592 0.0000 174.8377 *90 E 4.3063 7.7669 115.7188 56.0233 32.0060 177.3833 91 M 4.3336 7.6758 114.7945 55.1765 35.1542 177.1667 92 K 4.0210 7.7291 117.2044 58.4267 32.5291 178.9948 93 R 3.9577 7.9641 118.4023 59.2483 30.0256 178.5189 94 K 3.8801 7.6932 118.4212 59.4842 32.2760 178.7971 95 W 4.5244 7.7516 118.6751 60.0129 28.9248 178.4704 96 Q 4.2900 8.8890 118.5726 58.9282 28.1407 178.7907 97 R 3.8818 8.1826 119.4797 59.2970 30.1230 178.4016 98 A 4.0552 8.0130 120.3874 55.0580 18.3709 179.6227 99 L 4.1148 7.9836 117.3915 58.0147 41.7500 180.0135 100 G 2.4055 7.4137 105.5066 47.1985 0.0000 175.3713 101 E 3.7942 7.9818 121.6554 58.9526 29.5443 178.3475 102 Y 3.9766 7.9386 119.5741 60.8144 38.7454 177.8950 103 L 3.7108 7.6022 118.3245 57.7542 41.7454 178.8453 104 E 4.0428 7.7308 119.5891 57.6324 29.7080 177.9368 105 K 4.4534 7.7796 116.9377 56.3426 33.1409 176.3466 106 R 3.9300 7.5512 119.5312 56.2430 29.3594 176.9024 107 Q 3.9283 9.2438 127.0419 58.7181 28.9692 178.1026 108 S 4.2927 8.4689 110.9751 58.8483 63.6046 173.2589 109 L 4.3748 7.3755 125.0233 55.6421 41.7769 176.3807 110 Q 4.3231 8.5895 124.9366 54.9035 30.0494 175.6540 111 G 2.3796 6.5488 105.5592 45.0938 0.0000 172.1295 112 L 5.1037 7.3617 122.4760 52.8682 45.7485 175.2506 113 V 4.5597 8.7547 126.4444 61.2924 33.5117 174.3234 114 V 4.7531 8.6540 129.4163 61.4251 33.0876 174.2559 115 L 5.1654 8.9750 129.3749 53.5503 43.0656 176.1809 116 M 4.8779 9.0596 120.7676 53.1472 35.2870 174.0357 117 D 4.8906 8.5856 121.1751 53.8034 41.8226 176.9449 118 I 3.7711 8.5718 126.6657 63.8094 38.1803 177.0131 119 R 4.2284 8.2339 118.4092 58.4026 30.6648 176.9154 120 H 4.9377 7.5900 112.7936 53.8881 29.0570 170.6393 121 P 4.5943 0.0000 0.0000 62.8162 33.2759 175.7877 122 L 3.6753 8.3784 114.8750 55.9556 38.9387 176.0321 123 K 4.2975 8.0125 116.5203 55.7204 34.1957 176.7264 124 D 4.3497 8.7232 119.8607 58.0862 40.9351 178.9514 125 L 3.7462 7.8427 118.4940 57.5511 41.6988 178.9934 126 D 4.3943 8.0625 118.4208 57.6599 40.7912 178.7653 127 Q 4.0082 8.2015 118.4597 58.8152 28.5760 178.6348 128 Q 3.4648 7.7387 120.6368 59.2512 28.9853 178.2565 129 M 4.1416 7.6406 119.5851 58.4342 31.8857 178.9091 130 I 3.5103 7.3473 119.3883 64.1249 37.1066 178.0301 131 E 4.0161 8.1028 120.3635 59.1921 29.3859 178.8680 132 W 4.4570 8.3676 119.0173 59.7638 29.0299 178.3418 133 A 3.9704 8.2678 120.6763 55.2167 17.8573 179.7714 134 V 3.5262 8.0736 117.0790 66.4007 31.4095 177.9500 135 D 4.5768 8.4011 117.0979 56.3635 40.3664 177.7510 136 S 4.6276 7.6450 114.9586 57.3337 63.0798 173.8527 137 N 3.9559 7.8572 117.1960 54.4901 36.3780 173.8924 138 I 4.3463 7.7190 118.3136 59.2106 38.9663 176.2477 139 A 4.2261 8.2546 128.5085 52.0620 19.7976 176.1700 140 V 4.9474 9.2972 119.9227 60.9476 35.4500 174.2245 141 L 5.1198 9.1046 128.4021 53.4216 44.9453 174.9679 142 V 4.6548 9.2192 127.4672 61.4482 33.6076 174.3390 143 L 5.0726 8.6869 127.6740 53.0544 44.4501 175.8068 144 L 4.9269 8.9329 125.9473 53.8256 41.9065 176.8541 145 T 4.7234 9.1244 115.7748 60.8607 71.0410 174.5417 146 K 3.8279 8.8702 117.1275 57.3021 29.9228 178.0306 147 A 4.0097 8.0876 124.3405 55.0945 18.4308 180.3048 148 D 4.5379 7.9476 113.7413 55.3295 39.6970 177.3665 149 K 4.1962 8.0405 118.8944 57.5303 32.4603 176.7053 150 L 4.7554 7.3844 118.0175 52.3349 44.4200 176.8230 151 A 4.2331 8.2791 122.8315 51.5626 20.4964 178.7002 152 S 4.0930 8.7546 116.3696 61.8016 62.5090 177.4377 153 G 3.5354 8.0431 107.3191 47.7956 0.0000 175.4839 154 A 4.0551 7.9006 123.0424 54.4864 18.5011 179.3786 155 R 3.8067 8.5744 117.6622 59.6578 30.2067 178.6455 156 K 3.9129 8.0656 119.0442 59.3478 32.1340 178.4936 157 A 4.0050 7.8866 120.5853 55.3269 18.2492 179.6722 158 Q 3.9295 8.2980 116.6640 58.8937 28.7808 178.5550 159 L 3.9496 8.0238 121.3575 58.5204 42.1441 178.9008 160 N 4.3578 8.2765 116.2005 56.3231 38.3366 177.1818 161 M 4.0085 8.0908 119.6732 58.7739 32.3566 178.5188 162 V 3.6507 8.0771 118.6302 65.9837 31.4212 178.1747 163 R 3.9630 7.9855 117.1531 59.2217 30.3329 178.6289 164 E 4.1051 8.3400 118.0952 59.3740 29.5427 179.1247 165 A 4.0045 8.3428 121.2065 55.3253 18.5239 179.8407 166 V 4.1068 8.3463 116.5531 65.7286 31.0545 177.9149 167 L 4.2016 7.9763 117.7848 57.0075 41.2088 178.4780 168 A 4.0789 7.7017 119.7278 53.8885 18.3683 178.7142 169 F 4.2622 8.0191 115.1607 57.2321 39.8247 175.1189 170 N 4.2992 8.0752 113.9463 54.4187 36.5928 173.2826 171 G 4.1240 7.8238 107.5029 44.8506 0.0000 172.3951 172 D 4.7702 8.5203 115.1955 52.2561 40.9497 174.6149 173 V 4.7456 8.0045 119.8388 60.7102 33.4092 173.7005 174 Q 4.5859 9.0704 130.5224 54.7540 30.8516 174.3763 175 V 4.9780 8.2906 124.7917 61.3386 34.3713 174.2748 176 E 4.8371 9.0651 125.3188 55.0586 34.3043 174.5622 177 T 4.5552 8.4992 116.8689 62.0566 68.7961 173.5184 178 F 5.0646 9.3494 128.3323 56.8061 43.7076 173.5349 179 S 4.5100 8.3820 119.9797 56.8910 64.7887 174.5867 180 S 3.9424 8.8106 124.8798 61.5485 63.1242 176.8838 181 L 3.9648 7.9125 120.6615 58.1042 41.8428 177.8050 182 K 4.1603 7.8390 114.3384 55.8429 32.3625 176.7689 183 K 3.6542 6.9813 116.1214 57.3454 30.2403 175.2101 184 Q 4.2535 7.8776 117.3427 55.7690 30.1950 177.4186 185 G 4.0666 8.7543 110.6498 45.6600 0.0000 175.3140 186 V 3.8211 7.5832 119.4765 66.0849 31.5455 177.2530 187 D 4.3221 8.0451 117.3661 57.1906 41.1242 178.1174 188 K 3.9356 8.0273 118.6191 59.2686 32.1384 178.8319 189 L 3.8812 8.0274 120.5286 58.3057 41.9927 179.2077 190 R 4.0015 8.3217 118.2615 59.4836 29.9812 179.1380 191 Q 3.9367 8.4769 118.2433 58.5777 28.6459 178.6874 192 K 3.4387 7.9774 120.6956 59.2650 32.2058 178.7660 193 L 3.8444 7.6306 119.1122 58.0099 41.6040 179.2400 194 D 4.6139 8.3465 118.8438 57.7135 40.5008 179.1439 195 T 3.8738 7.5392 115.1679 66.5935 68.5793 176.5595 196 W 4.5324 7.8047 119.4095 59.7444 29.1257 178.2192 197 F 4.7958 8.7950 116.6168 58.9868 38.5459 176.2382 198 S 4.6256 7.8354 118.3950 58.4857 63.2155 173.6429 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 11 F 8.18 4.77 0.00 3.03 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 12 V 8.43 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.11 0.00 0.00 13 M 8.92 5.05 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 14 S 8.43 5.05 0.00 3.72 3.83 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 15 A 9.03 4.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.14 0.00 2.09 2.10 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 17 D 7.45 4.58 0.00 2.91 2.79 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 18 I 8.26 3.81 1.98 0.00 0.00 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 1.46 0.73 1.06 0.00 0.00 19 R 8.27 4.05 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 20 H 8.17 4.66 0.00 3.23 3.34 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.36 4.20 0.00 1.75 1.66 1.11 1.43 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 22 P 0.00 4.38 0.00 2.17 2.05 0.00 3.83 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 23 S 8.44 3.87 0.00 3.84 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 24 D 8.53 4.69 0.00 2.66 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 25 T 7.22 4.71 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 26 G 9.16 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 9.22 5.16 2.20 0.00 0.00 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 1.37 0.79 1.06 0.00 0.00 28 E 9.41 5.54 0.00 2.33 2.15 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 2.26 2.41 0.00 29 V 9.02 4.77 2.22 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 0.86 0.00 0.00 0.59 0.00 0.00 30 A 8.70 5.50 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.68 5.27 0.00 2.94 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 32 A 9.63 5.04 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 33 G 7.94 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 0.00 0.00 0.00 0.00 34 R 7.80 4.17 0.00 1.66 1.84 0.00 3.36 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 35 S 8.27 4.03 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.80 4.28 0.00 2.93 3.03 0.00 0.00 6.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.19 4.37 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 38 G 8.12 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 0.00 0.00 0.00 39 K 8.17 3.85 0.00 1.81 1.79 0.00 2.03 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.54 7.81 40 S 7.95 3.99 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.04 4.14 0.00 3.93 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 42 A 8.40 4.31 1.17 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 0.00 0.00 43 L 7.92 3.62 0.00 1.54 1.18 0.70 -0.55 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 44 N 8.00 4.41 0.00 2.82 2.84 0.00 0.00 7.04 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 45 T 7.72 4.20 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 1.36 0.00 0.00 46 L 7.72 4.44 0.00 1.65 1.75 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.38 4.71 4.13 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 1.08 0.00 0.00 48 N 8.36 5.00 0.00 2.78 2.89 0.00 0.00 6.03 7.39 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 49 Q 8.23 4.19 0.00 2.18 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 *63 Q 8.81 3.99 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.06 0.00 0.00 0.00 0.00 0.00 1.94 2.20 0.00 64 L 8.15 4.40 0.00 1.48 1.55 0.86 0.68 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 65 I 8.52 4.41 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.79 0.00 0.00 66 N 8.48 5.15 0.00 2.56 2.31 0.00 0.00 6.32 8.09 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 67 L 8.47 5.20 0.00 1.41 1.47 0.86 1.01 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 68 F 9.04 5.17 0.00 2.99 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 69 E 8.92 4.85 0.00 2.13 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 2.66 2.43 0.00 70 V 8.57 3.92 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 0.63 0.00 0.00 71 A 7.47 4.34 1.10 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 0.00 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0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.51 7.81 95 W 7.75 4.52 0.00 3.57 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.89 4.29 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 97 R 8.18 3.88 0.00 2.17 2.12 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 98 A 8.01 4.06 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 99 L 7.98 4.11 0.00 2.10 1.94 1.18 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.41 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.98 3.79 0.00 1.97 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 2.28 2.26 0.00 102 Y 7.94 3.98 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 120 H 7.59 4.94 0.00 3.26 3.27 0.00 5.55 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.59 0.00 2.22 2.22 0.00 3.95 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 1.98 2.00 0.00 122 L 8.38 3.68 0.00 1.87 2.02 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.01 4.30 0.00 1.89 1.79 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.67 7.81 124 D 8.72 4.35 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.84 3.75 0.00 1.71 0.97 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.06 4.39 0.00 3.02 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 0.00 127 Q 8.20 4.01 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 128 Q 7.74 3.46 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 129 M 7.64 4.14 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 130 I 7.35 3.51 1.18 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 -0.02 0.00 0.00 131 E 8.10 4.02 0.00 2.27 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 2.48 2.48 0.00 132 W 8.37 4.46 0.00 3.64 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 0.00 133 A 8.27 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.07 3.53 2.32 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 1.12 0.00 0.00 0.98 0.00 0.00 135 D 8.40 4.58 0.00 2.79 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 0.00 136 S 7.64 4.63 0.00 3.86 3.76 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 0.00 137 N 7.86 3.96 0.00 2.84 2.86 0.00 0.00 6.77 7.60 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 0.00 138 I 7.72 4.35 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.64 0.62 0.00 0.00 139 A 8.25 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.30 4.95 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 1.03 0.00 0.00 0.90 0.00 0.00 141 L 9.10 5.12 0.00 1.74 1.56 0.92 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 0.00 142 V 9.22 4.65 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 1.03 0.00 0.00 0.90 0.00 0.00 143 L 8.69 5.07 0.00 1.49 1.43 0.46 0.33 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 0.00 144 L 8.93 4.93 0.00 1.64 1.67 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 T 9.12 4.72 4.37 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 1.38 0.00 0.00 146 K 8.87 3.83 0.00 1.98 1.93 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.53 7.81 147 A 8.09 4.01 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 0.00 148 D 7.95 4.54 0.00 2.76 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 0.00 149 K 8.04 4.20 0.00 1.94 1.91 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.57 7.81 150 L 7.38 4.76 0.00 1.65 1.55 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.28 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 0.00 152 S 8.75 4.09 0.00 3.89 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 0.00 153 G 8.04 3.54 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 0.00 154 A 7.90 4.06 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 0.00 155 R 8.57 3.81 0.00 1.93 2.15 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 156 K 8.07 3.91 0.00 2.02 1.79 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.66 7.81 157 A 7.89 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 3.93 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 159 L 8.02 3.95 0.00 1.77 1.87 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 160 N 8.28 4.36 0.00 2.97 2.86 0.00 0.00 6.73 7.11 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 0.00 161 M 8.09 4.01 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.70 0.00 162 V 8.08 3.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.03 0.00 0.00 163 R 7.99 3.96 0.00 2.05 2.00 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 164 E 8.34 4.11 0.00 2.16 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 2.52 2.48 0.00 165 A 8.34 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 167 L 7.98 4.20 0.00 1.92 1.72 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.70 4.08 1.06 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 0.00 169 F 8.02 4.26 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.08 4.30 0.00 2.95 2.92 0.00 0.00 6.67 7.53 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 0.00 171 G 7.82 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 0.00 0.00 0.00 172 D 8.52 4.77 0.00 2.76 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 0.00 173 V 8.00 4.75 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 0.81 0.00 0.00 0.89 0.00 0.00 174 Q 9.07 4.59 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 175 V 8.29 4.98 2.10 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 0.95 0.00 0.00 0.96 0.00 0.00 176 E 9.07 4.84 0.00 1.91 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 2.22 2.39 0.00 177 T 8.50 4.56 4.27 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 1.23 0.00 0.00 178 F 9.35 5.06 0.00 3.11 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 0.00 179 S 8.38 4.51 0.00 3.73 3.47 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 0.00 180 S 8.81 3.94 0.00 3.97 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 0.00 181 L 7.91 3.96 0.00 1.56 1.65 0.90 0.57 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 0.00 182 K 7.84 4.16 0.00 1.70 1.76 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.50 7.81 183 K 6.98 3.65 0.00 1.87 1.80 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.48 7.81 184 Q 7.88 4.25 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.46 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 185 G 8.75 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 0.00 0.00 0.00 186 V 7.58 3.82 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 1.19 0.00 0.00 0.84 0.00 0.00 187 D 8.05 4.32 0.00 2.78 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 0.00 188 K 8.03 3.94 0.00 2.03 1.83 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.51 7.81 189 L 8.03 3.88 0.00 1.94 2.00 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 190 R 8.32 4.00 0.00 2.05 2.00 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 191 Q 8.48 3.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 192 K 7.98 3.44 0.00 1.62 1.40 0.00 0.92 0.00 0.00 1.42 0.00 0.00 2.84 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.58 0.21 7.81 193 L 7.63 3.84 0.00 2.01 1.95 1.22 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.35 4.61 0.00 2.83 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 0.00 195 T 7.54 3.87 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 1.21 0.00 0.00 196 W 7.80 4.53 0.00 3.21 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 F 8.79 4.80 0.00 3.20 3.07 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 0.00 198 S 7.84 4.63 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.