NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.5170 8.0433 120.5722 54.5075 43.9953 174.9920 3 K 4.7497 9.1596 121.9265 54.1192 35.0945 173.5704 4 L 5.8576 9.6789 126.5308 52.1066 45.4965 175.0915 5 A 5.1135 8.7281 124.8553 50.7769 20.6363 175.4453 6 I 4.6417 8.7090 124.1202 59.3683 39.1183 174.2981 7 P 4.6188 0.0000 0.0000 62.3906 31.5525 176.4279 8 K 3.9697 9.1383 125.5778 56.9424 32.7828 176.9509 9 G 4.0118 8.9955 108.7639 44.5886 0.0000 177.0581 *10 R 3.9015 8.8999 119.6474 59.1894 29.3978 175.0251 11 L 4.5552 7.7660 115.7155 54.1524 42.1871 177.5625 12 E 3.8713 7.9453 122.1428 60.5375 29.4343 179.0553 *13 E 4.1233 7.9585 116.7019 60.8511 30.1561 180.6220 14 K 4.0065 7.8575 120.1656 59.1986 32.1798 180.1161 15 V 3.4388 7.4505 117.1112 63.4522 31.3920 177.7783 *17 T 4.2714 7.9187 115.3296 63.4056 70.5846 175.8126 18 Y 4.4775 7.7770 118.9428 61.3019 37.6263 178.7405 19 L 4.2229 8.3695 119.8873 58.0548 41.8088 179.6368 20 K 4.0047 8.2627 117.6315 59.7618 31.8232 179.3877 21 K 4.2170 8.6174 117.6735 59.2576 32.0106 179.0696 22 T 4.0874 7.9851 109.3604 62.6345 69.2274 174.8033 23 G 4.1075 8.4969 111.4877 45.9368 0.0000 173.7699 24 V 4.2046 7.0550 116.2818 59.6450 33.7463 175.2628 25 I 4.3956 7.6558 121.8693 59.5560 40.5274 174.1008 26 F 5.1361 8.7926 127.7150 56.9450 40.0565 176.3030 *27 E 4.4020 9.3412 121.2637 58.3897 30.9356 175.1444 28 R 4.7816 7.8049 118.1432 54.9356 33.8560 173.8737 29 E 5.2728 8.7219 123.6727 54.9077 32.5234 174.8593 30 S 4.6382 8.8084 116.4908 56.7801 66.2704 174.4426 31 S 4.2695 8.7434 113.7261 60.5552 62.1318 174.7426 32 I 4.4753 7.0694 108.3290 60.1623 38.7078 174.9821 33 L 4.8785 7.8309 123.1129 54.0041 46.1215 174.4532 34 R 4.8842 8.9381 124.1892 54.6039 33.7134 174.1246 35 E 5.2134 9.0055 123.3411 55.2007 33.2549 176.2715 36 G 4.2510 8.5603 110.5688 46.4614 0.0000 172.6189 *37 K 4.2099 8.5154 122.2058 55.7109 31.5714 172.4479 38 D 4.6131 9.1455 122.9245 53.5845 38.6980 173.5478 39 I 4.7925 7.4091 119.0486 59.3854 41.9122 173.8609 40 V 4.7527 8.5508 128.3612 61.2687 34.8161 173.5931 41 C 4.9642 9.2350 125.8267 58.3671 30.5275 173.2983 42 F 5.1602 8.5315 126.2344 56.7479 42.0393 175.0797 *44 V 4.1130 8.1552 112.6571 61.7396 33.6718 175.4059 45 R 4.3033 8.3261 120.1253 55.7442 30.8085 176.1469 46 P 4.2997 0.0000 0.0000 66.2437 31.1542 178.9453 47 F 4.0102 8.4223 113.8892 59.7170 39.2134 176.3852 48 D 4.7601 8.6181 118.1291 54.9436 40.9311 178.2877 49 V 3.5966 7.7277 120.1721 65.9080 31.3537 176.0125 50 P 4.3316 0.0000 0.0000 65.8366 31.1798 178.7260 51 T 3.6292 8.0049 108.0921 64.9111 68.7823 176.1257 52 Y 3.9492 8.3530 119.6702 60.3381 37.8476 178.0751 53 L 4.2224 7.8604 119.7750 57.5436 41.7405 179.0088 54 V 3.5206 8.4675 118.4330 66.6009 31.2752 176.7170 55 H 4.2803 8.1027 112.7596 55.9858 28.4855 176.1830 56 G 3.9603 8.5561 107.9054 46.2707 0.0000 175.2612 57 V 3.9264 7.8446 113.7141 61.9969 32.2410 176.1176 58 A 5.0931 7.9455 121.1349 50.5220 21.8481 175.3453 59 D 4.8510 9.2078 119.6794 54.9660 42.8712 177.0237 60 I 5.0130 7.6632 117.4084 59.5638 41.6772 174.8719 61 G 4.7172 8.9973 111.7495 44.9863 0.0000 170.9690 62 F 5.4773 8.4466 118.1604 55.8058 41.9565 174.7846 63 C 4.7518 8.8722 116.1981 57.3967 33.3961 173.9816 64 G 4.4373 8.2922 108.4115 44.5312 0.0000 174.7251 65 T 3.5604 8.5766 117.0369 66.4194 67.7611 176.3571 66 D 4.4401 8.1223 120.4117 56.6030 39.2959 178.7635 67 V 2.7674 7.4891 119.3364 65.3414 31.3160 177.8177 68 L 3.9014 7.2823 116.7576 57.6893 41.4730 179.1633 69 L 4.0860 7.7958 118.0154 57.0517 41.6822 178.5764 70 E 4.4989 8.3860 121.4239 57.8900 30.7845 177.2780 *71 K 4.3730 7.7776 122.9440 51.8700 31.9408 176.0619 *72 E 3.9130 8.1385 117.5867 56.3104 29.7456 177.1425 73 T 4.2427 8.5775 120.9275 64.5626 69.9561 176.3723 74 S 3.7016 7.8316 111.3515 59.3655 60.5699 170.0989 75 L 4.7337 7.3969 118.0934 53.8476 44.6385 177.7978 76 I 3.7347 8.1623 122.5426 61.5826 38.1843 175.4973 77 Q 4.8488 8.3670 126.5417 53.2381 28.1902 173.4198 78 P 4.3926 0.0000 0.0000 64.8792 32.2570 176.2827 79 F 4.6163 6.7437 113.1205 56.0073 39.9407 171.6452 80 F 5.2982 8.0847 114.6829 55.1584 40.8469 173.7124 81 I 4.2786 9.0232 122.6228 59.9998 37.6490 175.0491 82 P 4.5498 0.0000 0.0000 65.6602 31.4814 177.4168 83 T 3.7975 8.1097 114.2761 64.1847 68.5107 173.5706 84 N 4.6652 8.7166 124.5588 52.7624 37.6653 174.6296 85 I 4.1348 8.1616 119.0666 63.7111 38.9569 175.7221 86 S 4.5582 7.4627 114.8209 57.7859 65.8002 174.1701 87 R 4.4606 8.2411 121.6900 55.5456 34.5477 175.6212 *89 V 4.0256 8.3828 117.9970 62.1533 33.7627 173.9806 90 L 4.9694 8.2901 124.4542 54.0234 43.5570 175.3285 91 A 5.1835 9.2098 127.0703 50.8542 23.4185 174.5504 92 G 4.3909 8.7019 104.7633 44.4510 0.0000 171.0917 93 P 4.7781 0.0000 0.0000 62.5078 32.2773 176.4611 94 K 4.2421 8.5274 123.6353 58.3730 31.3741 177.8993 95 G 3.9890 10.2360 113.4443 46.7927 0.0000 176.3159 *96 R 4.0267 8.0224 117.3676 56.8659 30.5916 184.4052 97 G 3.7538 7.1455 104.4707 47.4682 0.0000 175.8908 98 I 4.3432 8.1470 127.2198 58.2638 39.3441 173.2331 99 P 4.1549 0.0000 0.0000 62.7655 31.6602 176.3873 100 E 4.0099 8.4994 121.2151 57.0839 30.7402 178.8842 101 G 3.6601 8.3347 107.8263 45.9105 0.0000 173.1777 102 E 4.2844 8.7359 124.0758 56.4104 30.4958 177.3231 103 K 4.3466 9.0798 127.5066 55.4570 34.0812 175.9751 104 R 4.8872 9.0789 124.9032 55.3744 31.5160 175.5119 105 I 5.0536 8.8454 125.3186 59.4157 40.3951 174.6277 106 A 5.0866 8.5830 129.1148 51.2922 21.0316 175.7133 107 T 4.5748 8.5362 113.9673 61.7079 71.2900 174.0571 108 K 4.6036 8.4947 122.5785 55.8325 33.0843 177.3977 109 F 4.9895 8.0747 118.9519 54.4502 39.1073 173.7305 110 P 4.3590 0.0000 0.0000 65.7016 31.6411 178.5975 111 N 4.3758 9.3270 116.7379 56.1002 38.4458 177.4265 112 V 3.7359 8.7887 120.0962 66.5209 31.5366 178.2544 113 T 4.0230 8.2848 115.4148 66.6677 68.2416 176.5077 114 Q 4.0559 8.5194 122.0448 59.2136 29.0729 178.5696 115 R 4.0863 8.3049 117.2714 59.2898 29.5075 178.1629 116 Y 4.0049 8.3773 120.4550 60.7556 38.7767 177.5118 117 C 4.0060 8.5984 117.7137 59.9465 37.8132 175.8993 118 E 3.8752 8.3596 120.5499 59.4927 28.8487 179.6717 119 S 4.0432 7.7712 113.0425 60.9088 63.0926 175.9330 120 K 3.7988 7.1938 120.0126 55.6607 31.9791 176.8904 121 G 3.7564 7.5412 107.0862 46.3429 0.0000 173.3031 122 W 5.0656 8.0973 118.7300 55.0530 31.5107 175.8992 123 H 4.8492 8.6960 120.2552 55.3374 29.6278 175.0049 124 C 5.5354 8.8889 119.8871 55.1211 45.0481 173.5686 125 R 4.5626 9.2435 123.1976 54.8508 31.7168 174.4670 126 I 4.7197 8.3945 127.8942 60.2291 38.8173 175.7021 127 I 4.3606 8.6796 128.9498 58.7260 38.6665 173.1100 128 P 4.9473 0.0000 0.0000 62.5200 32.1277 175.8012 129 L 4.8812 9.0205 122.9816 53.2476 45.9471 177.0625 130 K 4.1638 8.3978 117.3651 56.4611 33.3084 176.5008 131 G 3.7922 8.0052 105.7709 45.6403 0.0000 172.4015 132 S 3.7995 8.0685 112.2914 59.3497 60.5378 175.0220 133 V 3.6639 7.5879 120.0225 65.7635 31.8439 176.1596 134 E 4.0655 8.1839 116.8473 58.8339 29.3444 178.5472 135 L 3.8785 8.0113 121.2815 57.3500 41.9965 178.4330 136 A 3.9922 8.0000 121.2640 54.9292 18.1996 177.8532 137 P 4.7021 0.0000 0.0000 65.2549 31.2245 178.9210 138 I 3.6993 7.0421 115.4530 64.1607 37.1558 177.7138 139 A 4.3011 8.0184 119.0332 52.4195 18.6588 178.3215 140 G 3.8797 7.5580 105.6172 45.2318 0.0000 174.5830 141 L 4.0867 8.0478 123.0970 57.1209 42.4019 176.7309 142 S 4.7897 7.5563 110.8227 56.5929 66.3602 173.8809 143 D 4.5325 8.8071 120.3943 56.3612 41.5501 176.6368 144 L 5.1749 7.7465 116.2566 53.0228 46.9965 175.2639 145 I 5.1415 8.8295 112.4220 59.3330 41.4419 174.7916 146 V 4.7583 8.2206 123.0778 61.6310 33.1563 173.8591 147 D 4.9580 8.6328 126.5809 53.1037 45.0429 174.1922 148 I 4.3105 8.3638 121.7248 60.9755 38.0839 175.6806 149 T 4.4692 9.1703 123.3367 61.3397 70.1529 173.2702 *150 E 4.4644 9.1747 122.1095 56.9946 32.3211 175.6675 151 T 4.3053 7.8725 108.3945 61.0357 70.2405 175.8662 152 G 4.0582 8.3829 112.9088 46.4753 0.0000 175.9208 *153 R 3.9091 7.9893 122.1053 61.9132 29.1279 183.8437 154 T 4.1023 7.9503 116.2504 66.3986 68.3508 176.6154 155 L 3.9388 7.9305 122.6159 58.3619 41.9578 179.9958 *156 K 3.9589 8.3147 123.9308 59.9853 31.4767 180.8039 157 E 4.3166 8.5087 118.5110 58.2701 29.5025 177.5629 158 N 4.8816 7.4775 115.0968 52.3087 39.3978 174.1703 159 N 4.2037 7.9378 113.8688 54.7885 36.7543 173.6369 160 L 5.3784 8.0072 116.0417 52.8635 44.8166 176.9478 161 E 4.8173 9.3364 119.9240 54.2495 33.2033 175.0672 162 I 4.2145 8.3761 122.6091 61.8155 37.0474 175.7604 163 L 4.5219 8.8330 127.5254 56.2527 43.1075 176.6200 164 D 4.6586 7.7642 116.1556 53.2216 44.8044 174.2243 165 E 4.5707 8.7366 125.0005 55.3718 30.4077 176.0378 166 I 4.0339 8.1291 125.3634 62.8435 37.8645 176.1011 167 F 4.7369 6.8358 110.3002 55.7790 39.7465 173.2751 168 V 4.0528 8.4506 122.3116 62.6526 32.6267 174.9508 169 I 4.6392 8.8771 127.7867 59.8522 39.3720 175.0410 170 R 4.8228 8.8725 124.8155 54.5220 35.3894 174.6654 171 T 4.4161 8.5529 117.3150 63.6078 69.4680 174.0778 172 H 5.0102 9.3119 124.8282 55.0505 30.8341 174.6688 173 V 4.2331 8.1430 121.6409 61.6659 32.3434 175.6371 174 V 4.6344 8.4780 120.8559 59.4414 35.6479 174.7151 175 V 4.7567 8.6211 123.2566 60.6907 35.0013 174.1912 176 N 4.6522 9.3378 126.9750 53.1373 39.2254 174.0022 177 P 4.3260 0.0000 0.0000 65.5626 31.3500 178.8986 178 V 3.5997 8.0617 117.1350 66.2902 31.0439 178.3464 179 S 4.2144 8.2226 115.6919 61.1830 62.3635 175.8936 180 Y 4.1639 8.3276 122.3145 60.4164 38.1999 178.4250 181 R 3.9800 7.5674 118.5476 59.1870 30.3821 178.6106 182 T 4.1838 8.2460 109.6204 63.1951 69.0231 175.6223 183 K 4.3251 8.1657 121.7917 55.8856 33.1168 178.4216 184 R 3.6337 7.8336 119.8792 59.8880 29.9607 176.8966 185 E 3.9716 7.9818 117.4437 59.2089 29.7023 178.9414 186 E 3.9649 8.0825 119.0295 59.1350 29.7158 178.9056 187 V 3.6618 7.9843 118.3386 66.1495 31.6124 178.0817 188 V 3.6973 7.9162 118.0012 66.1135 31.1632 177.8748 189 S 4.0925 8.2651 112.8229 61.3401 62.1745 175.9635 190 F 4.1772 8.2728 123.1682 61.3449 39.1020 177.0439 191 L 4.0332 8.4761 118.9736 57.8117 41.4163 179.4669 192 E 3.8917 8.5435 118.7937 59.3092 29.5498 179.4522 193 K 3.8355 7.6222 118.5543 59.2604 32.0782 179.0583 194 L 3.6935 7.6575 120.7606 58.2275 41.9187 178.7797 195 Q 3.3304 8.1193 119.7132 58.9414 28.7520 178.1690 196 E 3.7961 8.0234 119.6114 59.3296 29.5038 179.5077 197 V 3.5335 7.4993 117.9513 65.8807 31.3337 178.1339 198 I 3.2840 7.2463 118.5757 64.1105 36.9746 177.7005 199 E 3.9134 7.8499 118.8583 59.4786 29.5793 177.7243 200 H 4.1178 7.9396 116.9019 59.4642 30.0108 174.7642 201 D 4.7000 8.3613 122.7140 54.8875 41.2261 175.7609 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 L 8.04 4.52 0.00 1.47 1.51 0.84 0.39 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 3 K 9.16 4.75 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.50 7.81 4 L 9.68 5.86 0.00 1.53 1.62 0.64 0.64 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 5 A 8.73 5.11 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 6 I 8.71 4.64 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.82 0.00 0.00 7 P 0.00 4.62 0.00 2.12 2.15 0.00 3.80 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 8 K 9.14 3.97 0.00 1.80 1.79 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.45 1.54 7.81 9 G 9.00 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 *10 R 8.90 3.90 0.00 1.84 1.90 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 11 L 7.77 4.56 0.00 1.71 1.70 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.95 3.87 0.00 2.02 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 2.26 2.29 0.00 *13 E 7.96 4.12 0.00 2.11 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 2.23 1.94 0.00 14 K 7.86 4.01 0.00 1.68 1.81 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.98 1.32 7.81 15 V 7.45 3.44 1.81 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 -0.05 0.00 0.00 0.83 0.00 0.00 *17 T 7.92 4.27 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 1.20 0.00 0.00 18 Y 7.78 4.48 0.00 3.23 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.37 4.22 0.00 1.85 1.92 1.04 1.53 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 20 K 8.26 4.00 0.00 2.02 1.92 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.70 1.59 7.81 21 K 8.62 4.22 0.00 1.91 1.92 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.73 7.81 22 T 7.99 4.09 4.21 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 1.19 0.00 0.00 23 G 8.50 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 0.00 0.00 0.00 24 V 7.06 4.20 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 0.54 0.00 0.00 0.46 0.00 0.00 25 I 7.66 4.40 1.77 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 1.29 1.12 0.88 0.00 0.00 26 F 8.79 5.14 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.34 4.40 0.00 1.70 1.85 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 2.21 2.12 0.00 28 R 7.80 4.78 0.00 1.85 1.75 0.00 3.10 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 29 E 8.72 5.27 0.00 1.76 1.63 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 1.95 2.24 0.00 30 S 8.81 4.64 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.74 4.27 0.00 3.84 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 32 I 7.07 4.48 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 0.92 0.00 0.00 33 L 7.83 4.88 0.00 1.88 1.52 1.06 0.79 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 34 R 8.94 4.88 0.00 1.24 0.79 0.00 2.57 0.00 0.00 2.78 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 35 E 9.01 5.21 0.00 1.94 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 2.22 2.23 0.00 36 G 8.56 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 *37 K 8.52 4.21 0.00 1.79 1.65 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.03 7.81 38 D 9.15 4.61 0.00 2.81 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 116 Y 8.38 4.00 0.00 3.07 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 0.00 117 C 8.60 4.01 0.00 3.21 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 0.00 118 E 8.36 3.88 0.00 2.12 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 2.33 2.50 0.00 119 S 7.77 4.04 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.19 3.80 0.00 0.79 0.74 0.00 1.22 0.00 0.00 1.06 0.00 0.00 2.49 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.21 7.81 121 G 7.54 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 0.00 0.00 0.00 122 W 8.10 5.07 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 0.00 123 H 8.70 4.85 0.00 3.18 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 8.89 5.54 0.00 2.92 3.05 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 0.00 0.00 0.00 125 R 9.24 4.56 0.00 2.03 1.80 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 126 I 8.39 4.72 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.96 0.00 0.00 127 I 8.68 4.36 1.88 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 1.23 1.07 0.91 0.00 0.00 128 P 0.00 4.95 0.00 1.89 1.94 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 129 L 9.02 4.88 0.00 1.43 1.47 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.40 4.16 0.00 1.65 1.75 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.29 7.81 131 G 8.01 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 0.00 132 S 8.07 3.80 0.00 3.99 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 0.00 133 V 7.59 3.66 2.27 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 1.12 0.00 0.00 0.89 0.00 0.00 134 E 8.18 4.07 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 135 L 8.01 3.88 0.00 1.80 1.84 0.92 0.91 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 0.00 136 A 8.00 3.99 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 0.00 137 P 0.00 4.70 0.00 2.17 2.11 0.00 3.98 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 2.11 2.04 0.00 138 I 7.04 3.70 2.00 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 1.45 0.34 0.91 0.00 0.00 139 A 8.02 4.30 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 0.00 140 G 7.56 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 0.00 0.00 0.00 141 L 8.05 4.09 0.00 1.59 1.86 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.56 4.79 0.00 4.14 3.90 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 0.00 143 D 8.81 4.53 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 0.00 144 L 7.75 5.17 0.00 1.60 1.70 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.83 5.14 1.89 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 1.26 1.22 0.97 0.00 0.00 146 V 8.22 4.76 2.14 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 0.68 0.00 0.00 0.87 0.00 0.00 147 D 8.63 4.96 0.00 2.73 2.51 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 0.00 148 I 8.36 4.31 1.94 0.00 0.00 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 1.04 0.58 0.90 0.00 0.00 149 T 9.17 4.47 4.21 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 1.21 0.00 0.00 *150 E 9.17 4.46 0.00 2.00 1.76 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 2.12 1.82 0.00 151 T 7.87 4.31 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 1.22 0.00 0.00 152 G 8.38 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 *153 R 7.99 3.91 0.00 1.87 1.95 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 154 T 7.95 4.10 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 1.24 0.00 0.00 155 L 7.93 3.94 0.00 1.83 1.85 0.91 1.09 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 *156 K 8.31 3.96 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 157 E 8.51 4.32 0.00 2.02 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 0.00 2.35 2.35 0.00 158 N 7.48 4.88 0.00 2.71 2.78 0.00 0.00 7.07 7.88 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 0.00 159 N 7.94 4.20 0.00 2.92 2.85 0.00 0.00 6.85 6.48 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 0.00 160 L 8.01 5.38 0.00 1.62 1.55 0.92 0.69 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 0.00 161 E 9.34 4.82 0.00 1.95 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 0.00 2.36 2.26 0.00 162 I 8.38 4.21 1.87 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 1.32 0.52 0.92 0.00 0.00 163 L 8.83 4.52 0.00 1.60 1.82 1.02 1.22 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 0.00 164 D 7.76 4.66 0.00 2.89 2.48 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 0.00 165 E 8.74 4.57 0.00 1.98 1.84 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 2.24 2.25 0.00 166 I 8.13 4.03 1.42 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.10 0.97 0.00 0.00 167 F 6.84 4.74 0.00 2.92 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 0.00 168 V 8.45 4.05 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 0.88 0.00 0.00 0.95 0.00 0.00 169 I 8.88 4.64 1.99 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 1.41 0.83 0.99 0.00 0.00 170 R 8.87 4.82 0.00 1.49 1.96 0.00 3.45 0.00 0.00 3.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 171 T 8.55 4.42 4.46 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 1.47 0.00 0.00 172 H 9.31 5.01 0.00 3.14 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.14 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.83 0.00 0.00 174 V 8.48 4.63 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 0.59 0.00 0.00 0.86 0.00 0.00 175 V 8.62 4.76 1.93 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 1.08 0.00 0.00 0.84 0.00 0.00 176 N 9.34 4.65 0.00 2.86 2.83 0.00 0.00 7.03 7.59 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 0.00 177 P 0.00 4.33 0.00 2.21 2.10 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 178 V 8.06 3.60 2.23 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 1.14 0.00 0.00 0.94 0.00 0.00 179 S 8.22 4.21 0.00 4.08 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 0.00 180 Y 8.33 4.16 0.00 3.07 3.15 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 0.00 181 R 7.57 3.98 0.00 1.89 1.96 0.00 3.24 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 182 T 8.25 4.18 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 0.00 183 K 8.17 4.33 0.00 1.92 1.80 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.33 7.81 184 R 7.83 3.63 0.00 1.66 1.78 0.00 3.17 0.00 0.00 2.84 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 185 E 7.98 3.97 0.00 2.03 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 2.37 2.31 0.00 186 E 8.08 3.96 0.00 2.04 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 2.41 2.40 0.00 187 V 7.98 3.66 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 1.25 0.00 0.00 1.04 0.00 0.00 188 V 7.92 3.70 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 1.08 0.00 0.00 1.05 0.00 0.00 189 S 8.27 4.09 0.00 4.03 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 0.00 190 F 8.27 4.18 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.48 4.03 0.00 2.02 1.97 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.54 3.89 0.00 2.11 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 2.58 0.00 193 K 7.62 3.84 0.00 1.68 1.76 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.63 7.81 194 L 7.66 3.69 0.00 1.03 1.64 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 8.12 3.33 0.00 1.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.85 1.26 0.00 196 E 8.02 3.80 0.00 2.12 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 2.23 2.38 0.00 197 V 7.50 3.53 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 0.98 0.00 0.00 0.94 0.00 0.00 198 I 7.25 3.28 1.67 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 0.65 0.25 0.75 0.00 0.00 199 E 7.85 3.91 0.00 1.86 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 2.25 2.22 0.00 200 H 7.94 4.12 0.00 3.20 3.44 0.00 5.83 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 0.00 201 D 8.36 4.70 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.