NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2370 8.1701 117.3695 63.4905 70.6274 174.3980 5 A 4.0681 7.7723 121.4876 51.8964 19.4154 175.5013 6 T 4.3255 9.3187 119.3331 62.3398 70.5354 173.1164 7 V 4.1465 8.4024 120.9291 61.1784 32.3702 175.8823 8 R 4.5276 9.3302 125.6706 54.4048 32.3193 175.4758 9 R 4.6560 8.3783 123.2933 55.6308 31.4599 176.3785 10 A 4.7498 8.9426 123.6206 50.5079 23.0978 174.6177 11 E 5.0898 8.9391 121.4081 54.6380 32.2167 174.8117 12 L 5.2653 9.1167 124.7027 53.1059 45.0466 175.5575 13 Q 4.9934 9.2733 123.3925 53.7849 30.7018 174.3361 14 I 4.8272 8.8000 126.5107 59.9369 39.3126 175.3366 15 S 4.5645 9.5983 123.9800 57.0167 65.1612 172.8211 16 D 5.0439 8.4722 124.8926 52.5737 43.6750 176.3287 *18 D 4.6166 8.5274 119.4393 54.4821 42.8754 178.3586 19 R 4.0361 9.0043 115.7105 56.4048 30.4457 176.6583 20 G 3.9454 7.8683 105.3027 46.7150 0.0000 172.4172 21 Y 4.5572 7.5180 120.7287 55.5849 40.9311 173.9187 22 Y 5.3318 7.8470 122.9886 55.3691 41.2789 174.4299 23 A 4.4000 8.1772 123.3680 51.2858 22.3373 174.1774 24 N 5.4860 8.4820 116.3536 51.9274 41.8767 173.7269 25 H 5.0586 9.2450 118.7875 54.1420 33.0705 172.5446 26 S 5.1757 8.8632 118.6177 56.9567 64.6312 173.4011 27 L 4.9139 9.0394 125.0703 53.0356 45.4619 175.8006 28 T 4.9582 8.5412 117.6620 61.9269 70.9749 173.3955 29 L 4.4919 9.6045 127.2827 52.8106 44.6955 175.5697 30 A 4.7597 8.1681 124.0672 50.2797 20.6052 176.6809 31 Q 4.2336 9.1878 125.7564 55.9436 29.7037 174.7077 32 H 4.3623 8.7025 127.7052 55.9244 30.3954 174.4719 33 P 4.0896 0.0000 0.0000 65.2844 31.2924 177.1470 34 S 4.5294 8.2297 111.5286 58.1767 63.4442 173.2172 35 E 4.3318 8.5574 123.6765 54.8189 30.1111 176.6371 36 T 4.1521 8.2520 116.9026 61.5517 70.7886 174.9205 37 D 4.3133 8.4814 121.8203 57.3702 40.9267 178.2037 38 E 4.0281 8.1355 118.6890 59.4368 29.8865 178.7117 39 R 3.6662 7.7260 115.4610 58.1842 29.6673 178.0507 40 L 3.9543 7.5838 118.8931 56.5510 42.1272 178.2916 *42 V 3.8229 7.6678 118.4623 62.7154 33.3204 177.4952 43 R 3.9071 7.9100 119.5549 59.1528 29.7702 178.2965 44 L 4.0804 8.0399 120.4016 58.0173 42.0135 178.6535 45 L 3.8981 7.8527 119.6486 58.0351 42.1779 178.5835 46 A 4.1043 8.4242 121.1337 55.1070 18.0843 179.2350 47 F 3.8111 8.4459 118.9520 61.4870 39.2426 177.1856 48 A 4.1478 8.0047 118.9653 55.3292 18.2553 179.3621 49 L 3.8525 8.1060 116.6891 56.6716 41.5677 178.1234 50 F 4.4560 7.4177 115.2121 56.4844 39.7515 175.0946 51 A 3.0802 6.8132 123.3461 52.6932 18.5887 177.4899 52 D 4.5984 7.4876 118.7225 52.9318 44.0651 175.8238 53 D 4.5284 8.9267 123.3841 56.8284 41.3832 177.1562 54 R 4.4633 8.8809 116.4032 55.5884 30.4642 175.5882 55 L 4.3303 7.4648 121.8195 54.9014 42.5472 175.9826 56 E 4.8503 9.2806 125.1869 54.4087 33.8825 174.8752 57 F 4.9934 8.6836 120.9829 56.9226 39.8892 176.0768 58 G 3.8011 8.2364 110.8456 45.1841 0.0000 173.4392 59 R 4.3081 9.0589 120.1056 55.7979 31.4067 178.7623 60 G 3.9471 8.1972 111.4256 45.3400 0.0000 174.9197 61 L 3.8897 8.3860 121.4957 57.8121 42.3959 179.0646 62 S 4.1447 8.1299 112.5090 60.4337 62.9233 173.4043 63 N 4.7069 7.5446 120.1976 51.7222 38.6330 175.0730 64 D 4.3992 8.0570 124.3329 57.1559 42.1561 177.8328 65 D 4.6388 8.3164 116.4497 55.1644 41.3623 176.5855 66 E 3.7577 7.1860 117.7360 53.7818 30.4988 174.1982 67 P 4.2916 0.0000 0.0000 61.3113 32.4631 176.8885 68 D 4.3213 8.3367 118.1970 56.9187 41.6938 176.9027 69 L 5.2653 7.3317 116.3906 53.0765 46.5091 175.4049 70 W 5.4243 9.4295 117.7312 55.5759 32.0317 172.9738 71 R 4.9446 8.8709 122.0852 54.7320 31.7434 174.8475 72 R 5.0284 8.2136 124.3308 54.3477 33.3959 175.4818 73 D 4.6573 8.7536 122.3700 53.4333 41.9286 176.8771 74 Y 4.2267 8.6996 121.3449 61.3890 38.7371 177.7652 75 T 3.7635 7.9827 115.1965 66.1913 68.5635 174.9988 76 G 3.9187 8.1141 107.1810 45.1416 0.0000 173.5838 77 D 4.3954 7.9884 121.0763 53.3480 41.4803 173.5023 78 P 4.5725 0.0000 0.0000 63.4264 31.8477 176.6678 79 D 4.4349 9.4417 126.1803 56.4703 42.6658 175.8848 80 L 5.0724 7.8998 119.4540 52.8864 45.8689 174.9155 81 W 5.1182 9.0354 135.0000 55.7221 33.7740 173.7625 82 I 4.8442 8.4754 128.5376 59.6069 39.5943 174.3046 83 D 5.3307 9.2032 127.3726 52.4310 43.7447 175.1625 84 L 4.6526 9.1534 123.4233 53.8825 43.1067 176.2984 85 G 3.7865 9.7108 108.8968 44.9966 0.0000 176.1810 86 Q 3.3730 7.7377 114.3656 52.8530 28.5716 173.4275 87 P 4.4223 0.0000 0.0000 62.2472 32.7460 177.3143 88 D 4.5472 8.6639 118.9857 54.6207 42.9634 176.9461 89 E 3.9184 8.8322 125.8813 59.7579 29.5788 179.5091 90 S 4.0811 9.0533 115.3966 61.5127 62.8005 176.6090 91 R 3.8355 7.9149 120.9725 59.2332 29.8398 178.6310 92 V 3.3809 7.8961 118.0719 65.8186 31.6751 177.6328 93 R 2.7078 8.0944 118.7621 59.3375 29.5924 178.5129 94 K 3.7815 7.8184 117.5886 59.1588 31.6900 179.1734 95 A 2.8116 7.6164 121.1397 55.0488 17.9094 179.5156 96 C 3.9631 7.4870 113.8658 62.9870 28.1935 175.9062 97 N 4.4553 7.7679 117.2713 55.2112 38.1972 176.6100 98 R 4.4042 7.3229 114.9558 55.3253 30.7749 176.2079 99 S 5.6662 6.7954 114.4490 55.5850 66.0527 173.9502 100 R 4.1418 8.8155 124.0398 59.1673 30.5203 176.3206 101 E 5.0053 8.3787 118.4659 54.3420 33.5452 173.8383 102 A 5.3626 8.7429 126.9306 50.1681 22.5833 175.2633 103 V 4.8354 9.3360 120.1387 60.9927 35.2362 174.4297 104 V 4.7483 9.1008 127.5622 61.2452 34.0538 174.0919 105 I 4.8006 8.9680 129.9565 59.6485 39.2898 174.8819 106 G 4.2424 9.0599 116.2810 45.2631 0.0000 171.5924 107 Y 4.9712 7.7359 118.5818 56.3237 40.6834 173.4683 108 G 3.3720 10.0918 112.1145 44.9489 0.0000 174.7420 109 G 4.1355 8.4847 105.4883 44.2786 0.0000 176.8114 110 Q 3.9949 9.4430 127.5468 58.2707 29.4264 177.9798 111 A 4.0839 8.1796 119.9357 55.5026 18.1601 179.6900 112 T 3.8972 7.6133 113.6537 66.8731 68.7144 176.9411 113 E 4.1736 8.3400 120.2651 59.8798 29.5333 179.5441 114 T 4.0385 7.8055 108.4252 64.4738 68.9473 176.4039 115 W 4.2489 8.2092 131.2349 60.1910 30.8024 177.7461 116 W 4.3039 8.9198 128.3959 60.2180 29.9413 178.2337 117 K 3.8591 8.4915 118.3051 59.0429 31.4795 178.8870 118 K 3.9116 7.8310 119.1342 59.0539 32.5326 177.8128 119 H 4.4671 7.5152 113.9653 55.2945 29.1316 176.6020 120 A 2.5800 6.5303 122.8946 54.7160 18.0045 178.7411 121 N 4.2103 7.6292 112.7420 56.6453 39.2623 177.6744 122 A 3.8955 7.1980 120.0659 52.5531 17.6639 179.2626 *124 G 3.9642 8.0746 109.0979 46.6325 0.0000 174.5840 125 R 4.0787 7.0441 113.1997 56.3462 30.0707 176.6523 126 Y 4.6180 6.8985 118.0313 56.8327 36.7018 176.1199 127 R 4.1895 8.3478 123.7048 57.6632 30.9030 177.7652 128 N 4.8523 8.1730 115.2778 52.3853 37.6853 173.4169 129 L 5.0489 7.7663 121.0100 54.1969 43.7510 175.5714 130 R 4.9372 9.1157 126.2379 54.5368 33.1174 174.4233 131 V 5.0150 9.0436 125.9915 61.1007 34.6076 174.1522 132 I 4.8885 9.0441 121.1490 58.9524 41.2053 173.7480 133 E 5.0709 8.6696 123.7864 54.4488 32.0848 174.6482 134 L 4.7224 8.8350 127.0764 52.5301 43.8549 176.0345 135 D 4.3537 8.9167 122.8502 55.1900 41.7608 177.5801 136 S 4.3728 8.6969 122.4958 60.6299 63.3240 176.3174 137 Q 3.9451 8.1663 122.6736 58.9950 28.8636 178.0605 138 A 4.0011 8.7889 122.4409 55.4115 18.1867 179.7761 139 T 3.9339 7.9993 108.4338 64.7484 68.7413 176.4066 140 E 3.9200 8.3552 121.9775 59.0798 29.4787 178.6663 141 A 4.0131 7.8346 119.6319 54.9795 18.7019 178.9828 142 L 4.1207 8.5593 119.4027 58.3378 42.2109 179.4926 143 G 3.6227 8.3076 105.4552 47.6614 0.0000 175.1366 144 A 4.2768 7.7336 120.8083 53.6868 18.4485 177.8676 145 L 4.5079 7.3990 116.4931 54.4762 41.9286 176.9251 146 I 3.9694 7.4532 119.7775 61.4024 38.3748 174.8532 147 Q 4.6245 8.0681 123.8451 54.7632 32.9153 174.8243 148 R 4.1239 8.5576 115.3093 58.1262 30.0550 176.7153 149 G 4.1412 7.4908 105.5283 43.4261 0.0000 171.9913 *151 R 4.2350 8.3904 119.5333 55.8164 31.1674 174.9830 152 F 5.0532 9.1009 122.0008 55.6576 42.3151 174.2658 153 D 5.1829 8.9155 123.2844 53.5273 42.1915 176.1205 154 V 4.5665 9.1748 123.3999 61.3394 34.1667 174.0672 155 I 4.9252 8.6616 129.4830 59.6516 39.4623 174.7679 156 I 4.9116 8.6198 128.4794 59.5223 39.5160 175.0713 157 Q 4.5988 8.9075 127.4901 55.2573 32.9292 174.1133 158 D 4.5087 9.9782 124.7744 55.5361 38.3409 174.8393 159 G 3.8536 9.0763 105.2585 45.6511 0.0000 172.5689 160 E 4.9605 8.0247 122.0353 54.2843 31.7968 174.7874 161 V 4.9189 9.1922 126.8253 60.2334 34.3449 174.9276 162 Q 5.1997 8.6176 123.3569 52.9870 32.9481 173.7764 *164 L 4.5517 8.2429 117.7808 55.2263 43.2296 176.6401 165 A 4.8276 8.9324 125.9135 49.6459 22.2167 176.3322 166 D 4.3496 8.6617 119.2134 57.4190 40.8436 177.7370 167 H 4.7224 8.7554 111.3758 53.9864 29.0910 174.5575 168 G 4.2544 6.3808 111.6209 45.6190 0.0000 171.6604 169 S 4.9747 7.7649 112.9742 56.6329 65.9879 173.6626 170 V 4.4920 8.1713 119.9997 61.4586 34.4792 173.9976 171 T 5.0834 8.3649 122.3261 61.8859 71.2639 173.1285 172 L 4.6255 9.0013 124.3654 55.0122 44.6490 174.7425 173 T 4.8264 8.1391 116.0536 60.1280 69.9931 173.9983 174 P 4.6118 0.0000 0.0000 61.8038 33.3269 177.9741 *176 V 3.7085 8.3562 126.0295 64.0413 31.4042 176.2406 177 R 4.0751 8.8523 128.7653 58.7643 30.6769 177.1703 178 Q 4.8144 7.7437 117.5224 55.1548 32.4920 173.3304 179 A 4.9668 8.4065 126.4235 49.9061 22.4263 174.4794 180 P 4.9107 0.0000 0.0000 62.4333 31.3490 176.6783 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 4 T 8.17 4.24 4.20 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 0.00 0.00 1.17 0.00 0.00 5 A 7.77 4.07 1.20 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 0.00 0.00 0.00 0.00 0.00 6 T 9.32 4.33 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 7 V 8.40 4.15 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 0.66 0.00 0.00 0.91 0.00 0.00 8 R 9.33 4.53 0.00 1.57 1.79 0.00 3.41 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 9 R 8.38 4.66 0.00 1.69 1.85 0.00 3.11 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 10 A 8.94 4.75 1.24 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 0.00 0.00 11 E 8.94 5.09 0.00 1.95 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 2.33 2.33 0.00 12 L 9.12 5.27 0.00 1.68 1.68 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.27 4.99 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 14 I 8.80 4.83 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 1.06 0.00 0.00 15 S 9.60 4.56 0.00 3.79 4.05 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 16 D 8.47 5.04 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 D 8.53 4.62 0.00 2.74 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 19 R 9.00 4.04 0.00 1.71 1.95 0.00 3.15 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 20 G 7.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.52 4.56 0.00 3.00 2.65 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 0.00 0.00 0.00 0.00 22 Y 7.85 5.33 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.18 4.40 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.48 5.49 0.00 2.63 2.72 0.00 0.00 6.61 8.16 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 25 H 9.24 5.06 0.00 3.09 3.11 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.86 5.18 0.00 3.73 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 27 L 9.04 4.91 0.00 1.50 1.56 0.23 -0.26 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 28 T 8.54 4.96 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 1.20 0.00 0.00 29 L 9.60 4.49 0.00 1.25 1.20 0.85 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.17 4.76 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 31 Q 9.19 4.23 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 32 H 8.70 4.36 0.00 3.17 3.10 0.00 5.66 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 33 P 0.00 4.09 0.00 2.05 2.09 0.00 3.21 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.26 0.00 34 S 8.23 4.53 0.00 3.83 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 35 E 8.56 4.33 0.00 1.86 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 2.21 2.18 0.00 36 T 8.25 4.15 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 1.23 0.00 0.00 37 D 8.48 4.31 0.00 2.66 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 38 E 8.14 4.03 0.00 1.97 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 2.21 2.59 0.00 39 R 7.73 3.67 0.00 1.64 1.99 0.00 2.92 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 40 L 7.58 3.95 0.00 1.77 1.80 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *42 V 7.67 3.82 1.65 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 0.74 0.00 0.00 0.58 0.00 0.00 43 R 7.91 3.91 0.00 1.89 1.96 0.00 3.16 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 44 L 8.04 4.08 0.00 1.73 1.54 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.85 3.90 0.00 1.69 1.75 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.42 4.10 1.48 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 0.00 0.00 47 F 8.45 3.81 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.00 4.15 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 49 L 8.11 3.85 0.00 1.62 1.00 0.92 0.94 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 50 F 7.42 4.46 0.00 2.85 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 51 A 6.81 3.08 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 0.00 52 D 7.49 4.60 0.00 2.52 2.28 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 53 D 8.93 4.53 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 62 S 8.13 4.14 0.00 4.05 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 0.00 63 N 7.54 4.71 0.00 2.72 2.68 0.00 0.00 6.79 8.52 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 64 D 8.06 4.40 0.00 2.68 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 65 D 8.32 4.64 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 66 E 7.19 3.76 0.00 1.65 1.12 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 1.83 2.09 0.00 67 P 0.00 4.29 0.00 1.46 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 68 D 8.34 4.32 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.33 5.27 0.00 1.47 1.39 0.94 0.87 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 70 W 9.43 5.42 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 79 D 9.44 4.43 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.90 5.07 0.00 1.74 1.42 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 81 W 9.04 5.12 0.00 3.60 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 82 I 8.48 4.84 1.70 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.41 0.75 0.00 0.00 83 D 9.20 5.33 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.15 4.65 0.00 1.58 1.63 0.85 0.93 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 85 G 9.71 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 86 Q 7.74 3.37 0.00 1.74 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.93 0.00 0.00 0.00 0.00 0.00 2.19 1.60 0.00 87 P 0.00 4.42 0.00 2.29 2.11 0.00 3.39 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 88 D 8.66 4.55 0.00 2.79 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 89 E 8.83 3.92 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 90 S 9.05 4.08 0.00 4.08 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 91 R 7.91 3.84 0.00 1.89 2.11 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 92 V 7.90 3.38 2.17 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 0.88 0.00 0.00 1.16 0.00 0.00 93 R 8.09 2.71 0.00 1.61 1.90 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 94 K 7.82 3.78 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 95 A 7.62 2.81 0.30 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 96 C 7.49 3.96 0.00 2.80 3.06 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 97 N 7.77 4.46 0.00 2.75 2.81 0.00 0.00 6.96 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 98 R 7.32 4.40 0.00 1.91 1.94 0.00 2.91 0.00 0.00 2.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 99 S 6.80 5.67 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 0.00 100 R 8.82 4.14 0.00 1.84 2.24 0.00 3.20 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 101 E 8.38 5.01 0.00 2.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 102 A 8.74 5.36 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 0.00 103 V 9.34 4.84 1.78 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 0.78 0.00 0.00 0.54 0.00 0.00 104 V 9.10 4.75 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 0.69 0.00 0.00 1.10 0.00 0.00 105 I 8.97 4.80 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.95 0.00 0.00 106 G 9.06 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 0.00 0.00 0.00 0.00 107 Y 7.74 4.97 0.00 2.93 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 0.00 108 G 10.09 3.37 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 0.00 109 G 8.48 4.14 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 0.00 110 Q 9.44 3.99 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 111 A 8.18 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.61 3.90 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 1.21 0.00 0.00 113 E 8.34 4.17 0.00 2.09 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 0.00 2.51 2.47 0.00 114 T 7.81 4.04 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 115 W 8.21 4.25 0.00 3.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.92 4.30 0.00 3.71 3.31 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 0.00 117 K 8.49 3.86 0.00 1.94 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.60 7.81 118 K 7.83 3.91 0.00 1.74 1.60 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.12 1.31 7.81 119 H 7.52 4.47 0.00 2.46 2.77 0.00 5.71 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 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1.93 1.06 1.17 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 0.00 130 R 9.12 4.94 0.00 1.92 1.75 0.00 3.32 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 131 V 9.04 5.01 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 0.72 0.00 0.00 1.17 0.00 0.00 132 I 9.04 4.89 1.87 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.94 0.00 0.00 133 E 8.67 5.07 0.00 1.88 1.77 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 2.16 2.28 0.00 134 L 8.83 4.72 0.00 1.55 1.58 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.92 4.35 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.37 0.00 4.11 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 0.00 137 Q 8.17 3.95 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 138 A 8.79 4.00 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 0.00 139 T 8.00 3.93 4.22 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 0.00 0.00 0.00 1.27 0.00 0.00 140 E 8.36 3.92 0.00 2.27 2.13 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 2.32 2.38 0.00 141 A 7.83 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 0.00 142 L 8.56 4.12 0.00 1.82 1.78 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.31 3.62 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 0.00 144 A 7.73 4.28 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 0.00 145 L 7.40 4.51 0.00 1.99 1.93 1.06 0.82 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 0.00 146 I 7.45 3.97 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.97 0.00 0.00 147 Q 8.07 4.62 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.20 2.52 0.00 148 R 8.56 4.12 0.00 1.97 2.17 0.00 2.89 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 149 G 7.49 4.14 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 0.00 *151 R 8.39 4.24 0.00 1.73 1.91 0.00 3.13 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 152 F 9.10 5.05 0.00 2.94 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 0.00 153 D 8.92 5.18 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 154 V 9.17 4.57 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 0.99 0.00 0.00 1.00 0.00 0.00 155 I 8.66 4.93 1.90 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 1.28 0.63 0.95 0.00 0.00 156 I 8.62 4.91 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.59 0.88 0.00 0.00 157 Q 8.91 4.60 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.24 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 158 D 9.98 4.51 0.00 2.82 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 0.00 159 G 9.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.02 4.96 0.00 2.06 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 2.31 2.23 0.00 161 V 9.19 4.92 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 0.89 0.00 0.00 0.90 0.00 0.00 162 Q 8.62 5.20 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 *164 L 8.24 4.55 0.00 1.75 1.68 0.97 0.58 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 0.00 165 A 8.93 4.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.66 4.35 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.76 4.72 0.00 3.24 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 6.38 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 0.00 169 S 7.76 4.97 0.00 3.96 3.81 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 0.00 170 V 8.17 4.49 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 1.02 0.00 0.00 0.97 0.00 0.00 171 T 8.36 5.08 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 1.27 0.00 0.00 172 L 9.00 4.63 0.00 1.64 1.70 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.14 4.83 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 1.20 0.00 0.00 174 P 0.00 4.61 0.00 1.91 1.89 0.00 3.85 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 1.98 2.06 0.00 *176 V 8.36 3.71 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 0.82 0.00 0.00 0.92 0.00 0.00 177 R 8.85 4.08 0.00 1.00 0.66 0.00 3.14 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.00 178 Q 7.74 4.81 0.00 2.35 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 179 A 8.41 4.97 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 0.00 180 P 0.00 4.91 0.00 2.09 2.02 0.00 3.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.