NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 R 4.3157 8.0976 120.8605 56.4054 32.2502 177.3576 36 V 3.4764 7.7990 117.8959 64.5511 31.1708 176.6624 37 Q 3.9859 8.8602 119.5694 58.7812 28.9556 179.8089 38 E 3.9824 8.1295 118.9649 59.4306 29.5930 178.8668 39 Q 3.9534 8.1224 119.5407 59.3828 28.9820 178.7358 40 R 3.9302 8.2369 119.0911 59.3849 30.0301 178.6715 41 M 3.9302 7.9036 117.3937 58.7691 32.2719 178.2401 42 R 3.9306 8.1798 118.3478 59.6478 30.2527 178.9392 43 E 4.0095 8.2717 118.1242 59.1307 29.3708 179.1220 44 L 3.9025 8.1310 120.7575 58.0925 42.0350 179.2660 45 V 3.5941 8.1582 118.6595 66.0253 31.4575 178.2923 46 R 3.9289 8.2541 117.7497 59.0530 29.8629 178.9554 47 A 4.1838 8.2639 120.6861 55.5869 18.3912 179.6544 48 M 4.2234 8.4828 117.6134 58.3698 31.9780 179.2222 49 G 3.6362 8.5287 106.0164 47.7163 0.0000 175.5378 50 A 4.1016 8.1122 123.3857 54.8996 18.3936 179.4992 51 L 3.5326 7.8736 118.8468 57.8979 41.9061 178.6276 52 E 2.8871 7.8278 119.3404 59.1314 29.6671 179.0982 53 R 3.9166 8.0285 117.9065 59.3117 29.9153 178.6748 54 D 4.5436 8.0659 117.4716 57.6467 41.1744 178.7056 55 L 3.9722 8.1121 119.4784 58.0703 41.3328 179.7218 56 T 3.9319 7.9632 114.9590 66.0920 68.5623 175.6673 57 Q 4.4004 7.8129 117.2247 54.5169 29.1652 175.4048 58 A 4.6645 7.2142 123.7578 52.6295 18.9757 177.7844 59 V 4.5445 8.3101 114.6234 59.6103 35.6049 176.1262 60 E 4.3044 8.5532 122.1186 56.5427 28.4622 177.8697 61 R 4.6446 7.5361 119.8076 53.7246 33.0120 173.9668 62 P 4.7620 0.0000 0.0000 62.9022 32.7497 175.6075 63 V 4.6279 8.6456 112.1439 59.6479 36.3352 174.5524 64 R 5.0222 8.5100 122.8266 54.7778 32.0610 175.8481 65 D 4.7515 8.8297 126.7386 52.3108 41.0793 176.2768 66 E 4.0349 8.5591 118.0523 58.5788 29.7379 177.9302 67 L 4.2646 8.0635 116.4437 55.0120 42.0844 177.3677 68 G 3.9151 8.1974 107.5679 44.9228 0.0000 173.0027 69 D 4.5830 8.2509 120.7358 53.6920 42.4349 175.1808 70 N 4.9747 8.8149 123.6866 53.3600 39.5564 174.4687 71 R 4.6744 9.3623 123.1802 53.8480 32.1455 176.0468 72 G 4.1468 8.8149 110.1276 46.3539 0.0000 173.8696 73 A 4.6701 9.1416 123.7231 53.9629 19.5947 177.7033 74 F 5.2672 7.9418 117.3437 56.8213 42.6120 174.0451 75 L 5.2629 8.7866 125.5810 54.3477 44.1422 174.9293 76 S 5.3280 8.7571 115.6883 57.3131 65.5257 173.5536 77 E 4.5186 9.2367 118.6110 56.7459 32.7837 175.1192 78 G 4.3827 9.0625 106.8517 44.8881 0.0000 172.3911 79 E 4.0336 8.5037 116.2683 57.7487 29.7444 176.8733 80 N 4.3816 9.3982 117.9825 54.1301 36.4003 173.5983 81 D 4.7308 7.8180 114.4075 55.6262 39.0268 174.8501 82 Q 4.5285 8.1401 119.4425 57.7217 29.8441 175.1033 83 I 4.9574 8.1677 119.4184 59.8126 39.7524 174.7602 84 V 4.6574 8.4652 125.7802 60.9790 34.5064 173.8579 85 E 5.1079 8.7812 127.5498 54.5974 33.2259 173.9324 86 F 5.2459 8.1889 119.6963 56.0962 41.9425 173.1570 87 T 4.6862 8.8501 117.2820 63.1767 69.9066 174.2602 88 R 5.0931 9.0418 121.1875 54.0453 33.5351 174.6771 89 G 3.9430 8.7562 108.0123 46.0703 0.0000 173.5356 90 G 3.7496 8.2616 109.6303 44.7215 0.0000 173.5640 91 W 4.7275 8.1710 116.8415 57.0374 29.8295 176.4983 *102 L 4.2509 7.4585 118.5618 54.7020 42.9585 175.7215 103 Q 4.8370 8.8401 120.2198 54.0240 33.3404 174.0558 104 R 4.4841 8.0169 121.2895 54.4929 32.4335 175.2670 105 V 4.5896 7.7584 118.2252 59.4256 35.8647 174.6975 106 R 4.9280 8.6023 123.0027 54.7186 33.7681 173.5144 107 W 5.3802 9.3278 127.0319 55.1405 31.9224 175.2512 108 S 5.1622 9.1434 117.9769 57.8607 66.6742 172.7670 109 L 5.2162 8.6060 119.8503 53.0316 43.5981 176.3264 110 S 4.6205 9.1221 119.0704 57.1521 64.7784 174.4906 111 G 3.9246 8.5062 119.3541 47.2865 0.0000 173.3260 112 E 5.3095 8.8419 122.3331 55.2742 30.9981 173.4554 113 T 4.7263 8.0001 117.1058 61.6333 71.3225 173.3838 114 L 4.7878 9.2849 129.5912 54.7812 43.6371 175.2180 115 E 5.0805 9.6705 125.6905 54.4744 33.3652 174.6598 116 R 4.2244 8.5657 124.2042 54.4023 32.2221 174.7682 117 R 5.3746 8.7590 125.9088 54.8377 33.2023 174.7801 118 Y 5.7197 8.8893 119.1384 55.0887 41.8710 173.7827 119 W 5.4494 7.8564 116.5603 55.1686 31.8736 173.5587 120 L 4.6191 8.5737 120.9612 54.5551 42.2218 176.5871 121 V 4.2458 8.1780 123.3302 62.1510 32.6887 175.1459 122 L 4.5516 8.1363 126.0828 54.9345 43.1447 175.4992 123 D 4.7527 8.5632 114.8740 55.1859 40.6358 178.1093 124 R 4.6139 7.8490 118.8130 54.0396 31.2266 175.4182 125 A 4.3477 8.2188 123.3028 54.6925 19.0493 179.5007 126 Q 4.2998 8.0085 112.7038 58.5836 28.8460 176.2061 127 D 4.7364 8.2281 117.0283 54.1010 41.3479 176.1876 128 S 4.4031 7.8845 113.2064 58.1182 63.5714 174.7378 129 K 4.6584 8.1813 123.2561 53.7560 31.4922 173.0597 130 P 4.7324 0.0000 0.0000 62.6271 32.7224 176.7718 131 R 4.6710 8.5746 122.6873 54.1805 32.8909 175.1690 132 V 4.9141 8.2741 121.9929 59.9968 34.0130 174.7959 133 Q 4.6500 9.0493 122.6726 54.1906 31.7540 174.5426 134 Q 4.6089 8.7901 123.5892 55.6463 28.8541 175.9057 135 V 4.3057 8.6303 117.9305 62.0403 33.9315 176.4500 136 L 4.5457 7.7381 121.3908 53.9695 45.3139 173.9099 137 D 5.0421 8.9952 125.6599 53.4820 43.6560 176.0890 138 G 3.7045 8.7734 109.3380 44.5097 0.0000 172.7908 139 V 4.5169 8.0349 121.3514 62.3649 31.7011 176.4805 140 T 4.5237 8.9422 118.9274 62.4787 70.0488 174.7684 141 A 4.7357 7.6419 122.9150 50.8043 22.7983 174.8506 142 L 5.0789 8.3426 122.3444 53.6520 45.3058 175.1684 143 S 4.8010 8.7896 119.6975 57.1051 67.0424 172.6746 144 W 5.5847 8.5817 118.5885 55.2037 33.0689 174.8671 145 R 4.7867 8.8371 120.6803 54.4421 34.4062 174.3718 146 F 5.4204 9.4408 119.6012 55.7793 43.0132 173.7709 147 L 4.1888 8.6838 126.9453 54.0576 43.1641 176.5059 148 D 5.2985 8.6967 126.6175 51.8308 41.1539 177.0311 149 K 3.8567 8.5203 119.2125 58.6451 32.2195 176.8430 150 E 4.4224 8.2199 116.4438 56.1653 29.4439 175.3575 151 H 3.8934 7.8642 114.5448 56.8535 26.8794 173.9429 152 N 4.9489 8.3770 116.8620 51.4025 40.5440 174.7164 153 W 4.8203 8.8371 123.5847 56.9024 29.9600 175.6088 154 Q 4.9633 9.8345 123.6664 54.2784 31.3640 176.8826 155 G 4.0213 9.1548 109.8345 47.1453 0.0000 172.7836 156 H 5.5354 8.0727 113.7664 54.4163 32.0618 172.4062 157 W 5.0003 8.9843 127.9916 54.9688 34.2487 172.6753 158 P 3.0522 0.0000 0.0000 61.5804 32.1464 175.6657 159 T 3.9192 6.6975 110.2898 60.9421 69.4941 174.1225 160 D 4.4799 8.3486 119.5732 54.9647 41.3021 175.7789 161 E 4.2102 7.4603 117.3979 56.9995 30.5505 177.0593 162 G 3.8651 8.5040 108.8564 45.1706 0.0000 173.3997 163 S 4.4157 8.7628 114.7352 57.4155 65.0904 175.0560 164 E 3.9041 8.6038 120.7506 59.5908 28.9834 179.1406 165 E 3.9190 8.1460 118.5264 59.3755 29.7396 178.4502 166 E 3.9563 7.8917 118.1485 59.7287 29.3778 179.6996 167 R 3.8637 7.8275 116.4242 59.1902 30.3914 178.8530 168 L 4.1983 8.2521 118.4460 56.6852 41.4418 178.2918 169 E 4.7424 7.6542 116.8768 55.6246 31.0398 176.4638 170 S 4.4766 7.7548 114.1652 57.7876 63.9992 173.5575 171 L 4.5796 8.1491 123.2374 51.8274 43.9227 174.6616 172 P 3.3456 0.0000 0.0000 62.1179 31.8927 176.5659 173 L 4.0809 8.2729 119.7261 57.6269 42.6047 176.8298 174 A 4.9977 7.2417 117.9885 50.7367 22.8817 175.2467 175 V 4.9475 9.0523 119.6312 61.1287 34.9455 173.8666 176 E 4.9299 9.5319 129.4296 54.7548 31.5695 173.8369 177 M 4.5153 8.9537 127.7702 54.0344 34.5990 174.4759 178 T 4.9936 8.3941 122.9162 61.5446 71.7581 173.0964 179 L 5.2322 8.8905 125.8848 53.9399 44.5542 175.0313 180 E 5.1917 8.9228 119.4536 54.9126 32.7622 174.5298 181 H 5.2615 9.1858 123.5283 54.2234 32.6667 174.1788 182 R 3.9014 8.7214 124.9750 59.2179 29.8790 177.3035 183 H 4.8282 8.5504 113.2098 56.3012 31.0234 174.4028 184 Y 4.2632 8.4126 118.5931 57.5548 40.0000 176.6254 185 G 3.8277 8.3412 107.1525 44.8242 0.0000 171.3900 186 K 4.9470 8.3201 122.7501 55.0767 33.7851 176.7050 187 L 4.8841 9.2154 129.0319 53.1831 45.1611 174.9391 188 V 4.7010 8.3816 125.1717 61.1200 33.8504 174.6059 189 R 4.3715 8.7164 126.3863 54.0708 33.7104 174.6108 190 V 4.7124 7.7109 121.5548 60.7821 34.2972 174.4247 191 W 4.8264 9.1503 127.4615 54.7955 31.9473 174.6712 192 R 4.5701 8.7398 125.5774 55.7642 30.2298 176.1171 193 L 4.3261 8.4572 126.5321 53.9399 42.6906 177.0451 194 L 3.8426 8.4585 120.6898 55.4831 41.9621 176.8291 195 D 4.6709 8.4443 122.3805 51.7363 41.6036 173.8349 196 P 4.5998 0.0000 0.0000 60.7746 32.7173 174.2415 197 P 4.3408 0.0000 0.0000 61.8570 31.7314 176.3346 198 L 3.8679 8.3636 121.5549 55.8827 42.2196 176.4916 199 K 4.5970 8.5333 124.6560 54.7786 33.7141 176.3010 200 Q 4.2065 8.4716 121.1453 56.0914 29.3888 175.2934 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 35 R 8.10 4.32 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 36 V 7.80 3.48 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 0.71 0.00 0.00 0.92 0.00 0.00 37 Q 8.86 3.99 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 38 E 8.13 3.98 0.00 2.16 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 2.41 2.38 0.00 39 Q 8.12 3.95 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 40 R 8.24 3.93 0.00 2.05 1.96 0.00 3.22 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 1.68 1.88 0.00 41 M 7.90 3.93 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 42 R 8.18 3.93 0.00 2.02 1.98 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 43 E 8.27 4.01 0.00 2.18 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 2.34 2.56 0.00 44 L 8.13 3.90 0.00 1.53 1.72 0.71 0.13 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 45 V 8.16 3.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 46 R 8.25 3.93 0.00 2.07 1.99 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 47 A 8.26 4.18 1.50 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 48 M 8.48 4.22 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.90 0.00 49 G 8.53 3.64 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 0.00 0.00 0.00 50 A 8.11 4.10 1.64 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 0.00 0.00 51 L 7.87 3.53 0.00 0.59 1.24 0.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.83 2.89 0.00 2.01 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 2.29 2.27 0.00 53 R 8.03 3.92 0.00 2.11 2.05 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 54 D 8.07 4.54 0.00 3.08 3.10 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 55 L 8.11 3.97 0.00 1.51 1.54 0.57 0.55 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 56 T 7.96 3.93 4.39 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 1.23 0.00 0.00 57 Q 7.81 4.40 0.00 2.14 2.11 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 2.57 2.57 0.00 58 A 7.21 4.66 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 59 V 8.31 4.54 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 0.84 0.00 0.00 0.98 0.00 0.00 60 E 8.55 4.30 0.00 1.97 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 2.45 2.29 0.00 61 R 7.54 4.64 0.00 1.89 1.76 0.00 3.22 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 62 P 0.00 4.76 0.00 2.14 2.25 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 63 V 8.65 4.63 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 0.75 0.00 0.00 1.00 0.00 0.00 64 R 8.51 5.02 0.00 1.81 1.81 0.00 3.24 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 65 D 8.83 4.75 0.00 2.93 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 66 E 8.56 4.03 0.00 1.96 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 0.00 2.34 2.29 0.00 67 L 8.06 4.26 0.00 1.81 1.68 0.91 0.94 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 G 8.20 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.25 4.58 0.00 2.84 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 70 N 8.81 4.97 0.00 2.66 2.76 0.00 0.00 6.89 7.66 0.00 0.00 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 R 9.36 4.67 0.00 1.70 1.84 0.00 3.33 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 72 G 8.81 4.15 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 0.00 0.00 0.00 73 A 9.14 4.67 1.50 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 74 F 7.94 5.27 0.00 3.16 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 75 L 8.79 5.26 0.00 1.78 1.75 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.76 5.33 0.00 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.24 4.52 0.00 2.06 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 2.25 2.32 0.00 78 G 9.06 4.38 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 0.00 79 E 8.50 4.03 0.00 2.21 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 2.43 2.40 0.00 80 N 9.40 4.38 0.00 2.97 3.01 0.00 0.00 7.17 8.06 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 81 D 7.82 4.73 0.00 2.98 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 82 Q 8.14 4.53 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.61 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 83 I 8.17 4.96 2.01 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 1.27 0.81 1.00 0.00 0.00 84 V 8.47 4.66 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 0.57 0.00 0.00 -0.03 0.00 0.00 85 E 8.78 5.11 0.00 2.02 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 86 F 8.19 5.25 0.00 3.14 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.85 4.69 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 88 R 9.04 5.09 0.00 1.85 2.06 0.00 2.81 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 116 R 8.57 4.22 0.00 0.67 1.22 0.00 2.74 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 117 R 8.76 5.37 0.00 1.89 2.06 0.00 3.20 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 118 Y 8.89 5.72 0.00 2.88 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 0.00 119 W 7.86 5.45 0.00 3.26 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 0.00 120 L 8.57 4.62 0.00 1.60 1.64 0.96 0.82 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 0.00 121 V 8.18 4.25 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 0.77 0.00 0.00 0.81 0.00 0.00 122 L 8.14 4.55 0.00 1.87 1.74 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.56 4.75 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.94 4.52 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 1.19 0.00 0.00 141 A 7.64 4.74 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 0.00 142 L 8.34 5.08 0.00 1.58 1.54 0.48 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.79 4.80 0.00 3.87 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 0.00 144 W 8.58 5.58 0.00 2.98 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 0.00 145 R 8.84 4.79 0.00 1.32 1.90 0.00 3.04 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 146 F 9.44 5.42 0.00 3.20 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 0.00 147 L 8.68 4.19 0.00 0.27 1.03 -0.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.70 5.30 0.00 3.10 3.11 0.00 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0.00 0.00 2.39 2.31 0.00 165 E 8.15 3.92 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 166 E 7.89 3.96 0.00 2.13 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 2.32 2.35 0.00 167 R 7.83 3.86 0.00 1.93 1.91 0.00 3.11 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 168 L 8.25 4.20 0.00 1.85 1.73 0.93 0.74 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 0.00 169 E 7.65 4.74 0.00 2.00 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 2.43 2.30 0.00 170 S 7.75 4.48 0.00 4.18 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.15 4.58 0.00 1.46 1.24 0.88 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 0.00 172 P 0.00 3.35 0.00 1.60 0.49 0.00 2.37 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 0.79 0.44 0.00 173 L 8.27 4.08 0.00 1.45 1.56 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 174 A 7.24 5.00 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 0.00 175 V 9.05 4.95 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.91 0.00 0.00 176 E 9.53 4.93 0.00 1.43 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 1.90 1.85 0.00 177 M 8.95 4.52 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.91 0.00 178 T 8.39 4.99 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 1.10 0.00 0.00 179 L 8.89 5.23 0.00 1.81 1.57 0.94 0.98 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 0.00 180 E 8.92 5.19 0.00 1.91 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 2.19 2.18 0.00 181 H 9.19 5.26 0.00 3.18 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 R 8.72 3.90 0.00 1.48 1.74 0.00 3.11 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 183 H 8.55 4.83 0.00 3.26 3.40 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Y 8.41 4.26 0.00 2.80 2.93 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 0.00 185 G 8.34 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 0.00 0.00 0.00 186 K 8.32 4.95 0.00 1.75 1.67 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.47 7.81 187 L 9.22 4.88 0.00 1.99 1.50 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 188 V 8.38 4.70 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.81 0.00 0.00 189 R 8.72 4.37 0.00 1.04 0.66 0.00 3.01 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 190 V 7.71 4.71 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 1.00 0.00 0.00 0.78 0.00 0.00 191 W 9.15 4.83 0.00 3.40 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.74 4.57 0.00 1.85 1.87 0.00 3.24 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 193 L 8.46 4.33 0.00 1.41 1.46 0.74 0.62 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 0.00 194 L 8.46 3.84 0.00 1.61 1.76 0.94 0.96 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 0.00 195 D 8.44 4.67 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.60 0.00 2.20 2.03 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 197 P 0.00 4.34 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 198 L 8.36 3.87 0.00 1.58 1.76 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 199 K 8.53 4.60 0.00 1.76 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.61 7.81 200 Q 8.47 4.21 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.