NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.6791 8.2076 119.5545 52.6155 41.7428 176.9924 17 S 3.9759 9.0600 114.5126 62.4207 61.8851 174.0228 18 A 3.9727 8.6979 125.6554 54.8132 18.5927 180.4744 19 D 4.2977 7.9747 116.8144 57.3675 41.2051 178.4782 20 L 3.9639 8.4055 119.9831 58.0537 41.8182 179.7628 21 L 3.9977 7.6807 118.7036 57.7844 41.6098 179.9047 22 V 3.6259 7.4769 117.8503 64.9617 31.2103 178.2330 23 A 4.0372 8.3581 121.6209 54.8390 18.1516 179.3396 24 N 4.4020 8.0688 114.8441 56.0453 38.4946 177.6249 25 L 3.9874 7.8281 120.3130 57.7376 41.7164 179.4594 26 V 3.7254 7.6968 118.0868 66.1299 31.4149 177.3196 27 N 4.2908 8.1321 116.5812 57.0047 38.7534 176.4086 28 E 4.0261 8.3056 120.4332 59.3120 29.5676 178.4914 29 N 4.4436 9.1383 117.8922 55.8144 38.5176 177.2463 30 F 4.2706 8.7618 124.0382 60.7504 39.6146 177.2463 31 V 3.9482 7.8472 120.1575 64.3545 30.7836 178.2884 32 L 3.9362 7.9271 119.4911 57.4874 41.3640 179.5958 33 S 3.9850 7.7145 114.4132 61.1895 62.6424 176.4822 34 E 3.7367 7.7277 121.1648 59.1562 29.3640 179.2470 35 K 3.9000 7.9811 119.9341 58.8680 32.0727 179.0794 36 L 3.9185 8.5772 121.0737 58.1151 41.4914 178.5846 37 D 4.3020 8.0206 118.3997 57.4210 40.6915 178.2946 38 T 3.9413 8.3419 110.5246 64.3063 68.6391 176.7195 39 K 4.0066 7.7410 121.8346 59.1666 32.0397 178.8982 40 A 4.0065 8.0062 120.9379 55.0908 18.1436 179.4865 41 T 3.9314 7.5791 111.1103 65.0872 67.7235 176.6741 42 E 4.0522 7.8674 119.2464 59.0124 29.3752 179.5496 43 I 3.7472 7.8955 120.2909 64.2444 37.2872 178.3124 44 K 4.1203 7.7244 119.5596 59.5559 31.9033 179.3783 45 Q 3.9903 8.1669 117.8144 59.2574 28.4479 178.6196 46 L 3.9648 7.8287 120.6952 57.5950 41.6904 179.4003 47 Q 3.9835 8.1636 117.9828 58.7801 28.5883 179.0394 48 K 3.8775 7.9376 120.5148 59.4953 32.2355 178.4452 49 Q 3.9502 8.4963 120.2101 59.3790 28.8193 178.4406 50 I 3.6823 8.0072 120.8384 64.6925 37.3034 178.0466 51 D 4.3714 8.0597 119.7356 57.3402 40.6245 179.1386 52 S 4.1186 8.2509 114.7222 61.5507 62.9959 176.5386 53 L 3.9862 8.2357 123.2595 57.3081 41.3267 179.2056 54 N 4.2872 8.4839 116.4363 56.5307 38.5085 176.8229 55 A 3.9649 7.9731 121.6734 55.1407 18.3830 179.3868 56 Q 3.8655 8.1263 115.5133 59.1458 29.0941 180.2874 57 V 3.5675 7.9159 118.7753 66.0566 31.6902 178.0554 58 K 3.9410 8.0940 117.9787 59.7566 32.0505 179.2656 59 E 4.0155 8.6400 119.0938 59.2280 29.3733 179.1863 60 L 4.0263 8.2323 120.5835 57.6675 42.1083 178.8760 61 K 4.0326 7.9091 119.9044 59.2006 32.0429 179.0363 62 T 3.8661 7.8395 110.0000 64.9039 68.9245 176.5622 63 Q 3.9185 7.9646 122.6582 58.9356 28.8641 178.1731 64 T 3.8869 7.9198 114.1444 65.1570 66.9679 176.3097 65 S 4.1088 8.1274 115.0219 60.9887 62.4729 175.7330 66 Q 3.8803 8.3847 122.7410 58.6762 28.8490 177.5695 67 Q 3.9691 8.2591 120.6056 58.9140 28.9941 177.8555 68 A 4.0028 7.7652 121.8918 55.2393 18.4036 179.2809 69 E 3.9027 7.6133 116.6553 59.5955 29.5940 179.0197 70 N 4.2635 7.9776 116.2798 57.0753 38.9796 176.8582 71 S 4.1776 8.1987 116.3858 61.6272 62.8840 176.4821 72 E 3.9221 8.5757 122.2256 59.2034 29.1984 178.8613 73 V 3.5927 7.5675 116.8558 66.2605 31.8841 177.5909 74 I 3.9058 7.8484 119.3020 64.2839 36.4843 178.0382 75 K 3.9336 8.3982 120.6120 60.0665 31.8663 178.4664 76 D 4.9614 8.2434 120.0515 56.5442 40.6468 178.6558 77 L 4.0609 7.9738 121.0779 58.5418 42.1409 178.4083 78 Y 4.0756 8.2464 116.1160 61.3064 37.6586 178.5125 79 E 3.9461 8.0697 118.1521 59.8244 29.3757 178.9928 80 Y 4.0796 7.7172 115.2035 59.7767 38.0643 176.7616 81 L 4.5654 7.8480 119.7938 55.4099 43.5583 176.3690 82 C 4.8736 8.6114 114.0314 58.5051 29.8195 173.6458 83 N 4.7168 8.5790 115.7455 52.4578 36.0584 173.5701 84 V 5.0302 7.4558 114.6365 60.1124 34.7640 174.4782 85 R 4.5281 9.0701 124.2799 54.4234 33.3623 174.2179 86 V 4.4127 8.2184 126.1393 62.2833 31.5593 175.2649 87 H 4.4214 8.7064 126.2006 58.6319 28.8690 175.8640 88 K 4.8037 7.7568 114.8197 55.8802 36.8531 174.3090 89 S 4.8136 8.5404 113.7374 58.0973 65.5507 173.2919 90 Y 4.8716 7.3269 120.5814 55.2833 41.8074 174.0208 91 E 5.3076 8.9735 120.5708 53.4549 30.6456 173.8755 92 D 4.6068 8.9052 124.0459 52.3757 39.7248 178.4870 93 D 4.1312 8.8558 128.2685 55.4049 41.3641 174.7693 94 S 4.4542 9.0053 116.1900 60.0296 63.8267 175.2953 95 G 4.5045 9.0053 113.6634 44.9376 0.0000 171.4052 96 L 5.0100 8.2291 122.3622 53.9965 43.7028 175.1639 97 W 5.9989 8.2631 118.5062 54.0267 33.9934 174.2947 98 F 5.1941 8.7406 120.1983 54.4628 42.3439 174.0079 99 D 5.1172 8.8577 122.9629 54.5261 42.8660 174.7812 100 I 4.9539 8.9076 123.6005 59.7557 42.1059 174.4351 101 S 4.8417 8.9809 121.4169 56.9272 65.8037 172.9313 102 Q 5.0190 8.8727 126.1310 54.6228 32.5652 173.9276 103 G 4.1106 7.6449 108.7043 43.9178 0.0000 173.0186 104 T 4.3968 7.9421 113.9314 60.6551 68.8449 174.1903 105 H 4.3242 8.3332 126.1167 55.0795 28.4286 174.3866 *114 S 4.3893 8.1744 118.5777 57.1557 63.6437 172.9167 115 I 4.7432 7.7047 117.9839 59.1533 40.3235 174.2500 116 M 4.6520 9.1963 127.2223 53.8851 34.4309 174.2283 117 D 5.0276 8.7230 126.6898 54.1692 43.0118 175.2792 118 Y 5.3955 8.1016 119.8668 56.3216 41.9239 173.0110 119 K 5.5400 8.8680 117.7814 55.3131 35.9496 175.7151 120 L 5.0486 9.2461 121.2689 53.0452 45.2421 175.7106 121 G 2.5699 8.1038 110.1956 43.6178 0.0000 172.1086 122 F 5.0328 8.2882 120.9225 55.3772 42.0815 174.0816 123 V 4.7585 8.1847 124.0104 61.0342 34.2139 174.7636 124 K 4.9062 8.5635 124.8764 55.2254 35.9948 176.3926 125 G 4.0950 8.3731 106.5940 45.9264 0.0000 173.3174 *129 V 3.9475 7.5226 118.5381 61.8986 32.4176 174.6594 130 T 4.7197 7.9673 109.4797 60.9771 71.5420 172.4537 131 E 4.6935 8.1611 120.1955 55.4649 34.8071 174.3165 132 V 4.0461 8.2508 121.1799 60.9754 35.4905 174.3998 133 I 4.7380 7.4074 124.4384 59.7252 40.5922 174.5739 134 Y 4.8215 8.2370 127.8559 56.9191 41.1980 174.2915 135 A 4.0804 6.9307 118.1158 50.1088 21.1169 173.2345 136 P 4.2089 0.0000 0.0000 63.8517 32.3495 176.2527 137 V 4.2563 8.7199 123.4241 60.8616 33.0454 174.7560 138 L 4.8734 8.1310 128.7036 54.3022 42.9761 178.2229 139 K 4.0404 8.3694 122.6658 59.2346 32.2362 176.6207 140 Q 4.3707 7.5535 115.5801 54.7105 30.9050 174.1032 141 R 4.1837 8.4696 119.3893 55.2885 32.1818 174.1316 142 S 4.1516 8.7429 122.5660 59.3651 63.5396 175.4522 143 T 4.0088 8.9804 116.7022 65.2689 68.1778 175.6421 144 E 4.0309 8.3812 119.5498 59.5256 29.1609 179.1601 145 E 3.9854 8.6811 119.5286 59.2668 29.8061 179.1450 146 L 3.7059 8.0763 118.0846 57.4240 41.4669 178.3715 147 Y 4.1463 7.8992 115.5690 59.2579 38.8164 177.6324 148 S 4.1709 7.9640 113.9397 61.6208 62.4362 176.4003 149 L 4.2028 8.8752 122.3198 57.8989 41.2012 179.3380 150 Q 4.1379 7.5215 116.0137 58.0078 28.6225 178.0524 151 S 4.4087 7.7259 114.9597 60.3770 63.5637 175.9046 152 K 4.2765 7.5723 119.4214 56.1258 32.4453 176.7323 153 L 4.6113 7.4954 119.1156 51.7219 43.6344 174.6083 154 P 4.2082 0.0000 0.0000 63.0073 32.1038 176.5918 155 E 3.9616 8.9269 124.2507 59.6940 29.8722 178.7878 156 Y 4.4291 8.1499 116.0140 59.3886 37.9802 177.2675 157 L 4.4528 7.4653 119.3244 55.4532 41.5395 177.0405 158 F 4.8832 8.3356 116.5159 57.0334 39.3554 175.0654 159 E 4.8667 8.1200 119.2128 54.4071 33.2989 175.5301 160 T 4.2142 8.5184 118.1684 64.4571 69.5276 173.2005 161 L 5.0482 8.4687 122.5685 53.8550 47.1693 175.4618 162 S 5.1676 8.6612 114.6154 58.2393 66.6548 174.2285 163 F 5.1234 7.6906 118.7822 54.5152 41.7955 172.1591 164 P 5.3117 0.0000 0.0000 61.3861 32.3925 176.9705 165 L 3.9981 8.5563 120.7015 58.6509 41.6478 179.3394 166 S 4.3088 8.1873 113.5499 61.0514 63.0622 175.6723 167 S 4.4887 8.1687 116.5343 58.7901 62.9329 175.5234 168 L 4.0445 8.2138 124.7216 58.4499 41.8264 177.9759 169 N 4.3238 8.3594 116.0599 57.2252 38.5213 176.6957 170 Q 3.9767 7.9949 117.7538 59.0164 29.1846 177.7378 171 F 4.0001 8.1234 121.5049 61.3918 39.2622 176.2122 172 Y 3.9361 8.6368 118.8493 61.0989 38.5547 178.5131 173 N 3.9608 8.1736 116.9365 56.0947 38.4426 177.4928 174 K 3.7782 7.8460 119.8605 59.4668 31.8801 179.2289 175 I 3.4259 7.0231 117.1324 63.6111 38.3077 177.3699 176 A 3.9106 7.4129 121.7024 55.0982 17.9886 179.8142 177 K 3.8727 7.8458 115.8150 59.4184 32.1086 179.1797 178 S 4.3299 7.5367 114.1312 59.8464 63.0454 174.7673 179 L 4.3670 7.3374 125.4197 54.7182 41.7487 176.0693 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 16 D 8.21 4.68 0.00 2.62 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 0.00 0.00 0.00 17 S 9.06 3.98 0.00 4.12 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.70 3.97 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 19 D 7.97 4.30 0.00 2.86 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 20 L 8.41 3.96 0.00 1.73 1.74 0.92 0.86 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 21 L 7.68 4.00 0.00 1.72 1.72 0.92 0.96 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 22 V 7.48 3.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 23 A 8.36 4.04 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 24 N 8.07 4.40 0.00 2.97 2.88 0.00 0.00 6.91 6.15 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 25 L 7.83 3.99 0.00 1.96 1.73 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.70 3.73 2.33 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 1.01 0.00 0.00 0.98 0.00 0.00 27 N 8.13 4.29 0.00 2.90 3.01 0.00 0.00 6.93 7.69 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 28 E 8.31 4.03 0.00 2.11 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 2.32 2.36 0.00 29 N 9.14 4.44 0.00 2.99 2.89 0.00 0.00 6.59 8.01 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 30 F 8.76 4.27 0.00 3.16 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 31 V 7.85 3.95 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 1.19 0.00 0.00 1.01 0.00 0.00 32 L 7.93 3.94 0.00 1.70 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.71 3.99 0.00 3.84 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 34 E 7.73 3.74 0.00 2.05 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 2.09 2.20 0.00 35 K 7.98 3.90 0.00 1.94 1.86 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.41 7.81 36 L 8.58 3.92 0.00 1.64 1.82 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.02 4.30 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.34 3.94 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 1.25 0.00 0.00 39 K 7.74 4.01 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.43 7.81 40 A 8.01 4.01 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 41 T 7.58 3.93 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 1.26 0.00 0.00 42 E 7.87 4.05 0.00 2.21 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 2.32 2.49 0.00 43 I 7.90 3.75 1.86 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 1.78 1.07 0.90 0.00 0.00 44 K 7.72 4.12 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.62 7.81 45 Q 8.17 3.99 0.00 2.29 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 46 L 7.83 3.96 0.00 1.96 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.16 3.98 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 48 K 7.94 3.88 0.00 1.98 1.95 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 49 Q 8.50 3.95 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 50 I 8.01 3.68 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.91 0.00 0.00 51 D 8.06 4.37 0.00 2.95 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 52 S 8.25 4.12 0.00 4.05 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 0.00 53 L 8.24 3.99 0.00 1.86 1.76 0.92 0.75 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 54 N 8.48 4.29 0.00 2.89 2.87 0.00 0.00 6.89 7.93 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 55 A 7.97 3.96 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 56 Q 8.13 3.87 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 57 V 7.92 3.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 58 K 8.09 3.94 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.63 7.81 59 E 8.64 4.02 0.00 1.97 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 2.33 2.31 0.00 60 L 8.23 4.03 0.00 1.80 1.80 0.92 0.23 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 61 K 7.91 4.03 0.00 2.10 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 62 T 7.84 3.87 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 1.27 0.00 0.00 63 Q 7.96 3.92 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 T 7.92 3.89 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 1.31 0.00 0.00 65 S 8.13 4.11 0.00 3.96 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 66 Q 8.38 3.88 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 67 Q 8.26 3.97 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 68 A 7.77 4.00 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 69 E 7.61 3.90 0.00 2.02 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 0.00 2.57 2.48 0.00 70 N 7.98 4.26 0.00 2.87 2.98 0.00 0.00 7.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.20 4.18 0.00 4.06 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 72 E 8.58 3.92 0.00 2.03 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 0.00 2.35 2.35 0.00 73 V 7.57 3.59 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 0.90 0.00 0.00 0.94 0.00 0.00 74 I 7.85 3.91 2.12 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 1.45 0.66 1.30 0.00 0.00 75 K 8.40 3.93 0.00 2.06 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 76 D 8.24 4.96 0.00 3.03 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 77 L 7.97 4.06 0.00 1.75 1.84 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.25 4.08 0.00 3.15 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.07 3.95 0.00 1.97 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 0.00 2.31 2.61 0.00 80 Y 7.72 4.08 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.85 4.57 0.00 1.61 1.70 0.94 0.76 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 82 C 8.61 4.87 0.00 3.19 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 83 N 8.58 4.72 0.00 2.88 3.03 0.00 0.00 7.10 7.68 0.00 0.00 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 V 7.46 5.03 2.29 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 0.77 0.00 0.00 1.06 0.00 0.00 85 R 9.07 4.53 0.00 1.80 1.64 0.00 3.43 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 86 V 8.22 4.41 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 0.90 0.00 0.00 0.81 0.00 0.00 87 H 8.71 4.42 0.00 3.11 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.76 4.80 0.00 1.80 1.78 0.00 1.81 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.52 7.81 89 S 8.54 4.81 0.00 3.04 3.63 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 90 Y 7.33 4.87 0.00 3.01 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 91 E 8.97 5.31 0.00 1.94 1.88 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 2.22 2.15 0.00 92 D 8.91 4.61 0.00 2.83 2.71 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 0.00 0.00 0.00 93 D 8.86 4.13 0.00 2.81 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 94 S 9.01 4.45 0.00 4.07 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 95 G 9.01 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 5.01 0.00 1.41 1.69 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 97 W 8.26 6.00 0.00 3.30 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 98 F 8.74 5.19 0.00 2.97 2.91 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 99 D 8.86 5.12 0.00 2.94 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 0.00 100 I 8.91 4.95 1.00 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 1.51 1.12 0.78 0.00 0.00 101 S 8.98 4.84 0.00 3.84 3.77 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 0.00 102 Q 8.87 5.02 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 103 G 7.64 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 0.00 104 T 7.94 4.40 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 0.00 105 H 8.33 4.32 0.00 3.11 3.22 0.00 6.01 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 S 8.17 4.39 0.00 3.90 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 0.00 115 I 7.70 4.74 1.84 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 0.97 0.00 0.00 116 M 9.20 4.65 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.71 0.00 117 D 8.72 5.03 0.00 2.88 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 0.00 118 Y 8.10 5.40 0.00 3.20 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 0.00 119 K 8.87 5.54 0.00 2.19 2.08 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.62 7.81 120 L 9.25 5.05 0.00 2.02 1.55 1.11 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.10 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 0.00 0.00 0.00 122 F 8.29 5.03 0.00 2.76 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 0.00 123 V 8.18 4.76 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 0.99 0.00 0.00 0.86 0.00 0.00 124 K 8.56 4.91 0.00 1.73 1.63 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.44 7.81 125 G 8.37 4.09 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 0.00 0.00 0.00 *129 V 7.52 3.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 130 T 7.97 4.72 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 1.24 0.00 0.00 131 E 8.16 4.69 0.00 1.66 1.69 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 2.20 2.35 0.00 132 V 8.25 4.05 1.29 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 -0.04 0.00 0.00 0.39 0.00 0.00 133 I 7.41 4.74 1.55 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 0.96 0.49 1.04 0.00 0.00 134 Y 8.24 4.82 0.00 2.78 2.75 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 0.00 0.00 0.00 135 A 6.93 4.08 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 0.00 136 P 0.00 4.21 0.00 1.95 2.02 0.00 3.42 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 137 V 8.72 4.26 2.18 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 0.81 0.00 0.00 1.07 0.00 0.00 138 L 8.13 4.87 0.00 1.67 1.65 1.08 1.01 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 0.00 139 K 8.37 4.04 0.00 1.68 1.87 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.54 7.81 140 Q 7.55 4.37 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 141 R 8.47 4.18 0.00 1.74 1.85 0.00 3.35 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.94 0.00 142 S 8.74 4.15 0.00 3.95 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 0.00 143 T 8.98 4.01 4.41 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 1.29 0.00 0.00 144 E 8.38 4.03 0.00 2.25 2.30 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 2.40 2.46 0.00 145 E 8.68 3.99 0.00 2.15 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 2.36 2.38 0.00 146 L 8.08 3.71 0.00 1.89 1.60 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 7.90 4.15 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.96 4.17 0.00 3.98 4.10 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 0.00 149 L 8.88 4.20 0.00 1.84 1.90 1.00 0.46 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 0.00 150 Q 7.52 4.14 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 1.38 1.92 0.00 151 S 7.73 4.41 0.00 4.00 4.03 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 0.00 0.00 0.00 0.00 152 K 7.57 4.28 0.00 1.82 2.08 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 153 L 7.50 4.61 0.00 1.90 1.40 0.68 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.21 0.00 1.30 1.94 0.00 3.34 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 1.89 2.01 0.00 155 E 8.93 3.96 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 156 Y 8.15 4.43 0.00 3.24 3.30 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 0.00 157 L 7.47 4.45 0.00 1.28 1.39 0.53 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.34 4.88 0.00 3.15 3.03 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 0.00 0.00 0.00 0.00 159 E 8.12 4.87 0.00 2.01 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 2.34 2.43 0.00 160 T 8.52 4.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 161 L 8.47 5.05 0.00 1.83 1.70 1.30 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.66 5.17 0.00 3.67 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 0.00 163 F 7.69 5.12 0.00 2.96 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 0.00 164 P 0.00 5.31 0.00 2.28 2.24 0.00 4.08 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 2.22 1.95 0.00 165 L 8.56 4.00 0.00 1.83 1.76 1.07 0.94 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 0.00 166 S 8.19 4.31 0.00 3.90 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 0.00 167 S 8.17 4.49 0.00 4.02 3.63 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 0.00 168 L 8.21 4.04 0.00 1.99 1.89 1.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 169 N 8.36 4.32 0.00 2.87 2.88 0.00 0.00 7.03 6.88 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 0.00 170 Q 7.99 3.98 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 171 F 8.12 4.00 0.00 2.46 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 0.00 172 Y 8.64 3.94 0.00 3.20 3.27 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 0.00 173 N 8.17 3.96 0.00 2.89 2.77 0.00 0.00 7.10 8.41 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 0.00 174 K 7.85 3.78 0.00 1.69 1.75 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.56 7.81 175 I 7.02 3.43 1.26 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 1.41 0.54 0.54 0.00 0.00 176 A 7.41 3.91 0.93 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 0.00 177 K 7.85 3.87 0.00 1.61 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.56 7.81 178 S 7.54 4.33 0.00 3.69 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 0.00 179 L 7.34 4.37 0.00 1.76 1.51 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.