NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3115 8.0433 120.6215 55.2789 44.1526 178.9269 1 H 4.1454 7.9780 115.2951 57.2679 28.7685 176.4065 2 S 4.1734 8.2667 115.7731 61.2636 63.0953 175.5378 3 Q 3.9085 8.1729 122.5517 59.2806 28.7874 178.4153 4 A 4.0206 7.7162 121.5876 55.0671 18.4955 179.3487 5 N 4.3237 8.2156 115.2647 56.3693 38.5958 177.3331 6 L 3.7925 8.0338 121.7827 58.0713 42.1467 178.8827 7 M 3.9377 7.7484 118.7983 58.1037 31.7685 178.7052 8 R 3.8276 7.8742 118.9549 59.0234 30.1801 178.3014 9 L 3.3102 7.4907 119.6799 57.8956 42.0059 179.0554 10 K 2.7333 7.0709 118.1758 59.1704 31.8857 178.7513 11 S 3.9645 7.6472 113.0875 61.8692 61.9823 175.8296 12 D 4.3684 8.1201 121.1343 57.4571 41.0395 179.0556 13 L 4.0994 7.8362 119.4448 57.8357 41.6542 179.1132 14 F 4.9632 7.9954 114.9287 58.4923 39.2294 175.2704 15 N 5.0923 7.9739 117.8009 53.0506 39.0421 175.5565 16 R 3.7989 7.4480 116.7785 57.7787 30.4238 176.4196 *20 Y 4.4661 7.8674 122.2769 57.4546 39.7664 173.0407 21 P 4.4263 0.0000 0.0000 62.5160 31.5803 177.0130 22 G 3.2035 5.4673 104.7370 44.5022 0.0000 172.2334 23 P 4.3136 0.0000 0.0000 62.4440 32.0140 175.8875 24 T 4.7742 7.9850 109.9265 59.3183 71.9396 174.8225 25 K 4.4810 8.4935 121.0805 58.8926 32.4265 177.5536 26 D 4.5244 8.1471 117.9371 56.2761 41.6933 176.0900 27 D 4.8554 8.1537 118.8762 51.6363 40.6070 172.5373 28 P 5.1574 0.0000 0.0000 61.6676 33.4032 176.3493 29 L 4.7696 8.7885 120.7407 53.7471 45.7912 174.6422 30 T 5.0207 8.6494 121.8883 61.8828 70.7155 173.6413 31 V 4.7733 8.8007 126.9563 61.5704 34.0574 174.2921 32 T 5.0531 9.0314 125.2938 62.3654 70.1547 173.8649 33 L 5.6381 8.1572 125.6777 52.2214 45.1252 176.2328 34 G 4.2207 7.9939 107.2370 44.9597 0.0000 171.3719 35 F 5.2293 9.4927 121.3765 55.5912 42.4982 174.7194 36 T 4.7524 8.6789 120.1154 61.5870 70.4158 173.1476 37 L 4.5967 8.2461 130.2890 54.9502 42.1480 176.3831 38 Q 4.5697 9.2199 126.0647 57.9972 30.7810 175.4838 39 D 4.3457 7.7645 115.2393 53.1912 44.8153 174.7506 40 I 4.6283 8.6805 127.1909 60.6304 36.9532 175.8462 41 V 3.9859 8.7082 128.8730 65.4111 32.2676 176.5444 42 K 4.8570 7.9229 119.4763 55.1772 35.7414 174.1518 43 A 4.7844 8.9121 128.5964 50.2060 21.4198 174.8734 44 D 4.8515 9.1710 124.3395 52.8688 42.2521 177.0010 45 S 4.5918 8.8099 120.8207 59.2755 63.7679 175.2767 46 S 4.4031 8.2240 115.9713 59.8832 63.2747 174.8168 47 T 4.3827 7.6679 107.7873 60.0828 70.5918 172.9786 48 N 4.3137 8.0682 119.2340 53.6530 36.5993 173.3026 49 E 4.9805 7.4953 116.2750 54.4169 34.1618 176.8837 50 V 4.7155 8.0349 123.1550 61.0688 35.1688 173.6437 51 D 5.6237 9.0177 126.8795 52.6873 43.2145 175.2914 52 L 5.3886 9.2550 123.4108 52.9406 45.4434 175.4327 53 V 4.8735 9.0448 122.5554 61.3538 33.8864 174.1009 54 Y 5.3938 8.1258 124.4713 56.0572 41.9643 172.9774 55 Y 5.3297 8.5035 117.9100 55.2223 41.5527 174.4629 56 E 4.5018 8.9469 122.1492 54.2568 32.3388 174.5061 57 Q 4.4952 8.6934 130.1929 55.9179 30.3939 174.4600 58 Q 5.2988 9.3515 126.2845 54.2786 31.8543 174.9826 59 R 5.2784 9.0696 122.1346 54.3635 34.5612 174.4389 60 W 5.6601 8.2144 118.5419 55.7109 32.4822 173.1357 61 K 4.9248 8.6825 120.4286 54.9430 34.6964 174.8722 62 L 4.6469 8.6638 127.3139 52.7888 44.0477 177.7503 63 N 4.3670 8.8423 121.0046 56.1067 38.7837 177.0330 64 S 4.3569 7.9465 111.0120 60.0173 63.5043 174.3861 65 L 4.8557 7.7531 120.8972 54.9485 42.6956 175.9862 66 M 4.7760 7.9251 118.9810 55.0609 32.8280 175.4998 67 W 5.2163 8.4993 118.2259 55.7951 32.2622 173.3954 68 D 4.7756 9.0226 119.9243 51.9810 41.3789 174.9852 69 P 4.7928 0.0000 0.0000 65.9127 31.5905 178.5616 70 N 4.4980 8.3599 114.3982 56.0064 38.5995 175.8657 71 E 4.1194 8.2216 116.0911 57.8433 30.1236 176.1258 72 Y 4.7331 7.2895 117.1548 57.5931 38.9186 175.4406 73 G 4.0798 8.8248 102.1015 46.9141 0.0000 173.7913 74 N 4.2687 8.9715 114.3397 53.9287 38.0753 173.6266 75 I 4.0518 7.7659 117.7430 61.3365 37.4740 175.9629 76 T 4.6057 8.5514 115.2567 62.4290 70.7025 173.4924 77 D 5.4467 8.2410 119.8831 53.3912 42.1625 174.3760 78 F 5.0230 8.4922 112.1909 55.8828 41.3647 173.6512 79 R 4.7394 8.7694 119.9175 56.5715 30.9994 175.8343 80 T 4.8734 9.1080 117.0937 60.1842 71.6604 172.8289 81 S 4.5896 8.9133 121.4387 58.6729 62.6413 175.2023 82 A 3.7671 9.0527 129.1780 54.7507 18.3233 179.7072 83 A 4.0625 7.5127 117.8983 54.8539 18.5300 178.3421 84 D 4.2805 7.6540 114.5350 55.3779 41.0856 175.8214 85 I 4.6815 6.8495 110.3598 57.9868 40.7555 174.7105 86 W 4.3311 8.9013 131.0076 57.3233 31.1839 175.2578 87 T 4.0165 7.0495 114.4779 58.4295 71.1791 171.8473 88 P 3.6386 0.0000 0.0000 62.5298 32.5749 175.9620 89 D 4.7177 8.2365 120.2877 53.2655 38.8142 176.6683 90 I 4.3806 7.5939 119.1392 62.6791 38.2904 177.3470 91 T 4.9173 9.4241 123.8353 61.4219 72.5594 173.2571 92 A 3.9793 8.7444 127.6173 51.8466 18.4509 176.9151 93 Y 4.3815 9.1500 125.7590 59.3967 39.8526 177.1496 94 S 4.7995 7.8537 113.4693 57.6136 63.8191 173.9227 95 S 4.8401 8.0853 115.1206 59.6907 63.3924 173.6400 96 T 4.5040 8.6836 111.4244 61.4908 70.2966 174.3355 97 R 4.7217 7.5715 119.3647 53.1860 33.9709 173.1383 98 P 4.2794 0.0000 0.0000 62.6960 31.8858 176.6313 99 V 3.9027 8.2565 122.2177 63.2857 32.3905 174.9797 100 Q 4.5283 8.6625 127.0850 54.3337 30.4643 174.8707 101 V 4.1062 8.3994 125.0892 62.6077 31.8963 175.5326 102 L 4.7109 8.9562 127.6383 54.6755 42.7287 176.2175 103 S 4.8450 7.7414 112.2764 55.2015 66.3915 172.2500 104 P 4.3522 0.0000 0.0000 63.3544 31.9633 177.6711 105 Q 4.8110 8.4932 122.8524 54.8400 27.1910 173.7831 106 I 5.0057 7.9173 119.2884 59.3398 41.0049 175.4735 107 A 4.9587 9.0789 128.5152 50.2758 22.6815 175.1557 108 V 4.6040 8.3300 118.3299 61.2127 34.3827 174.3205 109 V 4.5058 8.0890 128.2257 61.6692 33.2144 174.8568 110 T 4.9657 8.4879 124.8625 61.8523 70.6469 175.7181 111 H 2.0000 8.4920 119.9796 57.3325 28.3404 176.6359 112 D 4.2672 7.1390 117.3942 53.3561 39.5901 177.0760 113 G 3.9070 8.1964 110.1647 45.5091 0.0000 173.6702 114 S 4.5796 7.7497 114.8733 58.0939 64.7274 173.4908 115 V 4.5313 8.4156 121.6549 61.1169 34.7726 173.7795 116 M 5.0548 8.4130 126.0122 53.6864 35.6941 173.8948 117 F 5.4030 9.1119 126.8816 56.7460 43.1744 173.7245 118 I 5.1839 8.0780 125.5886 57.6043 37.1209 172.2670 119 P 4.1888 0.0000 0.0000 62.2981 33.0331 176.4902 120 A 4.9229 8.9071 126.3413 51.6110 20.4359 176.2268 121 Q 4.7849 8.8053 119.8597 54.1663 33.9600 173.8333 122 R 4.9067 8.7415 123.4121 54.7096 32.1628 174.5552 123 L 5.1064 8.9133 128.2159 53.4488 45.3051 174.9509 124 S 5.4966 8.8051 122.4522 57.4250 64.9002 173.1944 125 F 5.4765 8.9152 118.6564 55.1265 42.1146 173.5372 126 M 4.6304 8.7315 119.7528 55.4204 32.1866 175.8510 127 C 4.5605 8.6805 123.8191 55.6293 47.7470 172.4440 128 D 4.9245 8.7776 127.1493 52.8398 40.5424 173.4013 129 P 4.5557 0.0000 0.0000 62.9225 31.5968 176.0085 130 T 3.9302 7.6664 115.8722 66.1161 68.7800 174.3932 131 G 3.9764 8.9679 114.1992 45.1219 0.0000 175.6077 132 V 3.4044 7.6296 119.7465 64.4137 31.3112 176.8926 133 D 5.1438 7.9905 118.5764 53.0775 39.6806 175.5529 134 S 4.7965 7.9438 113.9144 56.6236 66.0069 174.4896 135 E 4.0171 8.6708 121.3378 58.7211 29.5254 177.5550 136 E 3.9814 7.6352 115.7928 56.4842 30.2017 177.7210 137 G 3.6283 7.4488 107.8783 44.5709 0.0000 172.1934 138 A 4.5872 8.1366 120.8075 50.8252 21.4190 176.6672 139 T 5.0972 7.9892 114.4811 62.3226 72.2738 174.3743 140 C 5.2804 9.6297 121.9109 55.8113 45.5079 172.7400 141 A 5.4809 8.6687 121.0343 50.7100 22.2174 176.1256 142 V 4.4546 8.5736 119.9443 60.0401 35.1220 173.7935 143 K 5.0453 8.6148 123.5583 55.1838 35.4196 174.8962 144 F 5.3911 8.7920 120.9231 56.0660 42.5801 174.5562 145 G 4.4294 8.7901 108.2287 45.5009 0.0000 172.3475 146 S 4.9708 8.9593 115.3863 58.2708 62.3513 174.0462 147 W 4.1884 9.1182 135.0000 60.0117 30.5829 177.1135 148 V 4.3434 8.3019 107.6851 60.9641 32.1953 174.7948 149 Y 4.6676 8.1716 118.9042 55.8600 39.7261 176.1184 150 S 3.1871 8.4472 120.1076 56.6302 64.2487 175.2602 151 G 3.6373 8.5644 109.6418 49.1390 0.0000 174.8817 152 F 4.3024 8.1831 118.1014 59.0833 39.6262 176.3902 153 E 4.6419 8.2439 118.6437 57.1075 32.5769 175.9215 154 I 4.9713 8.2649 120.6101 59.5049 40.3819 174.4784 155 D 4.9046 9.1394 127.1241 52.7238 43.5839 174.8612 156 L 5.3772 8.4130 122.5631 53.0179 44.6639 175.5829 157 K 4.8890 8.8820 122.4104 55.0396 36.2643 174.8385 158 T 5.1181 8.3389 112.8757 60.1602 71.3380 173.6499 159 D 4.5636 8.8509 122.0031 56.4398 41.5794 176.4937 160 T 4.6551 7.4816 111.1917 60.7821 70.4507 172.4965 161 D 5.5443 8.5222 123.4136 52.9048 41.0194 175.2293 162 Q 4.7702 7.9954 119.8141 54.4661 29.7958 175.9126 163 V 3.7441 8.1556 125.1773 62.7833 32.5341 175.0934 164 D 4.4880 9.0808 127.9646 54.2949 41.9489 176.2116 165 L 4.8222 8.5285 125.1181 54.4835 42.3885 178.4256 166 S 4.3084 8.3758 114.7035 60.4794 63.0263 175.1850 167 S 4.7305 7.8839 115.3575 58.1639 63.1513 173.2272 168 Y 4.3202 7.8042 122.9950 57.1604 39.0345 174.9397 169 Y 4.1913 8.3707 128.7287 57.8582 38.9826 176.8551 170 A 4.1259 8.5352 130.3059 54.1834 18.7854 177.4850 171 S 4.4455 5.8100 111.6019 57.7621 63.7724 174.4573 172 S 4.4655 6.9513 114.2121 58.0472 62.8818 174.1745 173 K 4.0182 8.6178 123.4357 58.5523 32.9773 176.2632 174 Y 5.3779 7.8371 117.5574 56.0866 40.4517 175.1317 175 E 4.5767 9.6117 126.1622 55.2978 31.6794 174.8722 176 I 4.4222 8.0159 127.3044 60.5989 37.4632 175.6575 177 L 4.3661 8.8420 128.6058 57.4767 42.2945 177.4911 178 S 4.6865 7.8105 109.9221 57.6642 66.4341 174.4097 179 A 5.1065 8.2753 122.9635 51.2487 22.0370 175.2549 180 T 5.1791 8.8884 112.7702 60.0246 73.0521 173.2554 181 Q 5.0019 9.2005 120.3067 54.9691 31.6648 174.1465 182 T 4.9420 8.8322 120.6820 61.2222 72.4048 173.5389 183 R 4.6047 8.7627 127.1228 56.6514 30.8979 175.4041 184 Q 4.7387 9.5335 124.1815 54.2013 33.9047 174.1321 185 V 4.8162 8.3114 119.8477 61.5119 33.9804 174.5818 186 Q 4.5965 8.9414 125.4515 54.6760 33.5596 173.8656 187 H 5.1313 8.4636 117.5499 55.0170 30.7351 174.5202 188 Y 4.5748 8.2814 117.3014 55.9207 41.5133 176.6675 189 S 4.1555 9.1053 119.9341 62.0336 63.1304 175.0515 190 C 4.4309 8.2690 113.1755 57.9735 41.4873 174.6374 191 C 5.2033 8.0130 115.5112 54.3285 43.7970 172.5186 192 P 4.3018 0.0000 0.0000 64.8326 31.3193 176.8083 193 E 4.6731 8.0248 115.6482 54.2261 31.1923 174.1348 194 P 4.8429 0.0000 0.0000 63.2666 33.2012 174.4839 195 Y 4.9497 9.1924 118.5397 56.5040 40.9502 174.8423 196 I 4.9563 8.3773 122.9371 60.3944 38.9504 174.7534 197 D 5.2407 9.1963 124.5917 51.7594 43.6952 174.2849 198 V 4.7958 8.9372 120.0048 61.3477 33.8816 173.8156 199 N 4.9366 9.4315 128.3086 52.3569 40.5268 173.4354 200 L 4.7432 8.7544 129.8880 53.9171 43.5948 175.2753 201 V 4.7541 8.4844 127.8681 61.2724 33.6137 174.2866 202 V 4.8692 8.9465 129.0974 61.1392 33.8864 174.2568 203 K 5.2554 9.0745 128.0207 54.9217 34.4085 175.3539 204 F 5.5041 8.7640 118.3124 56.2222 41.7534 172.9170 205 R 5.0487 8.9774 115.8715 54.4919 33.6264 173.8544 206 E 4.5473 8.9601 120.0084 56.2354 29.9160 176.8238 207 R 3.8845 9.1739 126.5712 56.6666 30.7341 176.6741 208 R 4.1203 7.8747 124.0385 56.5563 30.0248 176.7583 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 0 L 8.04 4.31 0.00 1.61 1.64 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 1 H 7.98 4.15 0.00 3.25 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.27 4.17 0.00 4.06 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 3 Q 8.17 3.91 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 4 A 7.72 4.02 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 5 N 8.22 4.32 0.00 2.97 2.93 0.00 0.00 6.59 6.05 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 6 L 8.03 3.79 0.00 1.77 1.68 0.60 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 7 M 7.75 3.94 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 8 R 7.87 3.83 0.00 2.02 2.09 0.00 3.31 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 9 L 7.49 3.31 0.00 1.17 1.13 -0.72 -1.05 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 10 K 7.07 2.73 0.00 1.45 1.39 0.00 1.20 0.00 0.00 1.25 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.36 0.25 7.81 11 S 7.65 3.96 0.00 3.87 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 12 D 8.12 4.37 0.00 2.71 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 13 L 7.84 4.10 0.00 1.07 1.54 0.76 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.00 4.96 0.00 3.01 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 15 N 7.97 5.09 0.00 2.71 2.78 0.00 0.00 7.18 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 16 R 7.45 3.80 0.00 2.11 1.84 0.00 3.31 0.00 0.00 3.21 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 *20 Y 7.87 4.47 0.00 2.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.43 0.00 2.10 2.04 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 22 G 5.47 3.20 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 0.00 23 P 0.00 4.31 0.00 1.60 1.77 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.55 0.00 24 T 7.99 4.77 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 1.18 0.00 0.00 25 K 8.49 4.48 0.00 1.76 1.90 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.56 7.81 26 D 8.15 4.52 0.00 2.71 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 27 D 8.15 4.86 0.00 2.70 2.50 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 28 P 0.00 5.16 0.00 2.10 2.25 0.00 3.41 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 29 L 8.79 4.77 0.00 1.61 1.38 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.65 5.02 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 1.25 0.00 0.00 31 V 8.80 4.77 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 1.17 0.00 0.00 1.01 0.00 0.00 32 T 9.03 5.05 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 1.26 0.00 0.00 33 L 8.16 5.64 0.00 1.47 1.26 1.02 0.65 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 34 G 7.99 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 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0.00 1.02 0.00 0.00 0.77 0.00 0.00 110 T 8.49 4.97 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 1.13 0.00 0.00 111 H 8.49 2.00 0.00 1.95 2.47 0.00 5.45 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.14 4.27 0.00 2.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.20 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 0.00 0.00 0.00 114 S 7.75 4.58 0.00 3.77 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 0.00 115 V 8.42 4.53 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 0.00 0.00 0.33 0.00 0.00 0.64 0.00 0.00 116 M 8.41 5.05 0.00 2.01 1.71 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 117 F 9.11 5.40 0.00 3.11 3.08 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 0.00 118 I 8.08 5.18 1.73 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 0.99 1.82 0.87 0.00 0.00 119 P 0.00 4.19 0.00 1.93 1.66 0.00 3.59 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 120 A 8.91 4.92 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 0.00 121 Q 8.81 4.78 0.00 1.18 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 122 R 8.74 4.91 0.00 1.83 1.76 0.00 3.02 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 123 L 8.91 5.11 0.00 2.05 1.84 1.06 0.76 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 0.00 124 S 8.81 5.50 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.92 5.48 0.00 3.22 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 0.00 126 M 8.73 4.63 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.48 0.00 127 C 8.68 4.56 0.00 2.24 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 0.00 128 D 8.78 4.92 0.00 2.64 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 0.00 129 P 0.00 4.56 0.00 2.25 2.27 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 130 T 7.67 3.93 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 1.18 0.00 0.00 131 G 8.97 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 0.00 0.00 0.00 132 V 7.63 3.40 2.02 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 0.78 0.00 0.00 1.01 0.00 0.00 133 D 7.99 5.14 0.00 2.82 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 0.00 134 S 7.94 4.80 0.00 3.94 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 0.00 135 E 8.67 4.02 0.00 1.94 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 2.29 2.29 0.00 136 E 7.64 3.98 0.00 1.91 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 2.26 2.37 0.00 137 G 7.45 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 0.00 0.00 0.00 138 A 8.14 4.59 0.48 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 0.00 139 T 7.99 5.10 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 1.24 0.00 0.00 140 C 9.63 5.28 0.00 3.20 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 0.00 141 A 8.67 5.48 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 V 8.57 4.45 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.35 0.00 0.00 143 K 8.61 5.05 0.00 1.98 2.09 0.00 1.35 0.00 0.00 1.70 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 144 F 8.79 5.39 0.00 3.07 3.13 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 0.00 145 G 8.79 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.96 4.97 0.00 4.12 4.17 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 0.00 147 W 9.12 4.19 0.00 3.35 3.23 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 0.00 148 V 8.30 4.34 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 0.88 0.00 0.00 0.55 0.00 0.00 149 Y 8.17 4.67 0.00 3.02 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 0.00 150 S 8.45 3.19 0.00 3.92 3.50 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 0.00 151 G 8.56 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 0.00 152 F 8.18 4.30 0.00 3.07 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 0.00 153 E 8.24 4.64 0.00 2.15 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 2.31 2.40 0.00 154 I 8.26 4.97 1.97 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 1.03 0.63 0.99 0.00 0.00 155 D 9.14 4.90 0.00 2.75 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 0.00 156 L 8.41 5.38 0.00 1.59 1.60 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.88 4.89 0.00 1.81 1.60 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 158 T 8.34 5.12 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 1.31 0.00 0.00 159 D 8.85 4.56 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.48 4.66 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 1.28 0.00 0.00 161 D 8.52 5.54 0.00 2.83 2.88 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 0.00 162 Q 8.00 4.77 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 163 V 8.16 3.74 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 0.73 0.00 0.00 0.88 0.00 0.00 164 D 9.08 4.49 0.00 2.81 2.52 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 0.00 0.00 0.00 0.00 165 L 8.53 4.82 0.00 1.73 1.65 0.85 0.83 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 0.00 166 S 8.38 4.31 0.00 4.04 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 0.00 167 S 7.88 4.73 0.00 3.89 3.96 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 0.00 168 Y 7.80 4.32 0.00 2.97 2.95 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 0.00 169 Y 8.37 4.19 0.00 2.79 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 0.00 170 A 8.54 4.13 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 0.00 171 S 5.81 4.45 0.00 3.20 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.95 4.47 0.00 3.89 4.02 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 0.00 173 K 8.62 4.02 0.00 1.09 1.15 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.29 7.81 174 Y 7.84 5.38 0.00 3.07 3.13 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 0.00 175 E 9.61 4.58 0.00 2.07 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 2.30 2.31 0.00 176 I 8.02 4.42 1.50 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.23 0.79 0.00 0.00 177 L 8.84 4.37 0.00 1.65 1.72 0.91 0.75 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 0.00 178 S 7.81 4.69 0.00 3.84 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 0.00 179 A 8.28 5.11 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 0.00 180 T 8.89 5.18 4.32 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 1.21 0.00 0.00 181 Q 9.20 5.00 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 182 T 8.83 4.94 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 1.22 0.00 0.00 183 R 8.76 4.60 0.00 1.86 1.85 0.00 3.30 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 184 Q 9.53 4.74 0.00 2.34 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 185 V 8.31 4.82 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 0.80 0.00 0.00 0.92 0.00 0.00 186 Q 8.94 4.60 0.00 1.81 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.59 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 187 H 8.46 5.13 0.00 2.95 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.28 4.57 0.00 2.80 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 0.00 189 S 9.11 4.16 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 C 8.27 4.43 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 8.01 5.20 0.00 3.16 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 0.00 192 P 0.00 4.30 0.00 2.06 2.12 0.00 3.71 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 2.03 2.08 0.00 193 E 8.02 4.67 0.00 2.36 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 2.28 2.23 0.00 194 P 0.00 4.84 0.00 2.14 2.00 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 195 Y 9.19 4.95 0.00 2.92 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 0.00 196 I 8.38 4.96 1.93 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 1.41 0.94 1.02 0.00 0.00 197 D 9.20 5.24 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.94 4.80 2.31 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 1.07 0.00 0.00 1.04 0.00 0.00 199 N 9.43 4.94 0.00 3.00 2.68 0.00 0.00 6.33 7.23 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 0.00 200 L 8.75 4.74 0.00 1.40 1.54 0.67 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 201 V 8.48 4.75 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 0.90 0.00 0.00 0.93 0.00 0.00 202 V 8.95 4.87 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 1.00 0.00 0.00 0.86 0.00 0.00 203 K 9.07 5.26 0.00 1.73 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 204 F 8.76 5.50 0.00 3.29 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 0.00 205 R 8.98 5.05 0.00 2.05 2.00 0.00 2.79 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 206 E 8.96 4.55 0.00 1.93 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 2.50 2.50 0.00 207 R 9.17 3.88 0.00 1.83 1.92 0.00 3.21 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 208 R 7.87 4.12 0.00 1.88 1.83 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.