NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 G 3.7875 8.3393 109.7364 45.7012 0.0000 173.5473 *2 S 4.4460 8.2926 115.2138 57.9542 64.5485 174.0578 3 N 4.5380 7.9375 117.9536 55.3107 38.7849 175.3266 4 I 4.0525 7.4954 119.2440 61.1793 37.7341 174.9035 5 N 5.2519 8.5371 122.6747 51.6404 42.5364 172.6919 6 Y 4.9781 9.2776 115.9283 56.5764 42.7609 175.1093 7 V 4.8208 8.9936 121.9936 61.2731 34.9682 174.0595 8 I 4.6929 8.4425 128.5966 59.5304 39.5736 174.4863 9 L 5.0404 8.9062 126.7835 53.1817 44.7138 175.5878 10 T 5.0372 8.9900 120.3979 61.6452 72.3119 173.1828 11 V 4.8377 8.8273 125.1352 61.0033 34.6731 174.1029 12 A 5.3735 8.9648 128.7108 50.1690 22.9456 174.8188 13 S 4.9558 9.2760 116.0771 57.7082 65.0270 173.4737 14 V 5.0459 8.2332 121.8563 60.9767 34.8218 174.5144 15 D 4.5288 8.8317 127.4462 54.5458 41.4693 177.4111 16 F 4.0912 9.3041 124.5248 61.6190 39.1798 177.7139 17 S 4.2902 8.2700 112.4493 61.1840 62.3699 174.7904 18 Y 4.4745 8.0031 121.0376 58.3362 38.4893 177.1613 19 R 4.1565 7.4804 118.0804 59.8890 30.5158 178.3628 20 E 4.0898 7.8530 117.9544 59.5051 29.5115 179.6612 21 T 3.5982 6.8817 113.6412 64.3481 68.6069 175.6842 *23 A 4.0742 8.0296 126.0860 52.3415 20.2223 179.4015 24 R 4.0103 7.7884 114.3202 59.4674 30.3892 179.8812 25 L 3.8707 7.9018 115.9596 55.3472 41.3900 179.1659 *27 S 4.3772 8.1233 115.9788 58.4562 65.2296 175.9406 28 S 4.0192 7.8186 114.0750 61.5434 62.2116 175.4414 29 Y 4.1573 8.1360 122.2131 60.7569 38.3985 178.3985 30 S 4.2077 8.1439 118.0924 62.0773 63.0280 176.8829 31 K 3.8683 7.9767 126.4246 60.0142 31.3013 179.9721 32 D 4.4950 7.8837 119.1846 57.3303 41.0886 178.6164 33 L 3.9340 7.5812 119.0701 57.7157 41.3723 179.5694 34 I 3.9820 7.8539 120.4940 64.0977 37.1535 177.9547 35 D 4.5190 8.3558 118.7939 56.5865 40.8204 177.6302 36 N 4.7829 8.3135 114.8685 53.6063 40.2582 175.5848 37 A 4.3064 7.9571 121.0292 51.7264 19.6381 177.7810 38 G 3.9095 8.3440 102.9052 45.7701 0.0000 173.6409 39 A 4.0531 7.9953 122.7654 52.1792 18.8259 178.9568 40 K 4.1736 8.4307 123.9289 57.0812 32.9961 176.9045 41 G 4.3128 8.1358 105.1911 44.5975 0.0000 173.2499 42 T 4.9204 8.0780 108.9866 60.0021 72.4870 173.1179 43 R 4.8708 8.5874 120.1075 54.5852 34.9223 174.2262 44 F 5.4058 8.7370 123.8483 56.8859 43.1956 173.5934 45 G 4.4352 8.1181 111.6939 45.9614 0.0000 171.3466 46 S 5.1784 8.5015 114.5798 56.3502 65.5376 173.8184 47 I 4.1215 8.9168 125.3960 61.4568 37.1928 176.9791 48 G 4.0159 9.3864 115.8311 47.7096 0.0000 173.0257 49 T 4.6983 7.5491 108.6597 60.6517 72.3006 173.7944 50 G 3.8680 8.4706 109.3268 44.8020 0.0000 173.5454 51 D 4.4517 8.5829 116.8778 56.7044 41.1825 176.9060 52 H 4.7949 8.1676 115.5594 55.2122 28.9492 174.3261 53 A 4.3096 7.4696 123.2961 54.2001 18.3800 178.6836 54 G 4.1136 9.1782 112.3063 45.2710 0.0000 174.2529 55 S 4.5368 8.2058 115.6838 58.6610 64.2713 173.4055 56 L 4.9134 8.7871 121.9345 53.3287 44.3269 175.5094 57 I 4.9951 8.3675 121.5032 59.1913 41.7633 173.6758 58 F 5.7752 9.4354 130.6955 56.5691 42.4879 173.5199 59 I 4.6130 8.6182 126.4477 59.3635 40.2927 174.4219 60 Q 4.1603 8.3098 125.2392 53.6933 32.2354 174.3441 61 F 5.2820 7.8465 121.2375 55.9684 41.7071 174.3114 62 Y 5.2185 9.0786 120.6905 56.3834 41.5437 176.6435 63 D 4.9386 9.1207 121.7709 56.3781 41.5527 176.3618 64 D 4.9957 7.8323 116.7391 51.5033 45.1746 176.2286 65 L 3.8642 7.9718 120.7435 57.6380 41.5142 179.8029 66 T 3.8677 7.9086 116.0373 66.4421 68.3371 176.1145 67 G 3.6542 7.7139 107.6363 48.2270 0.0000 175.0616 68 Y 3.3169 7.1427 121.5388 59.8794 38.8051 177.5072 69 Q 3.5891 7.9145 120.6227 58.8948 29.0287 178.4508 70 K 3.8751 8.0203 119.3792 59.1720 32.0452 179.0201 71 A 3.9498 7.7966 121.1020 55.3231 18.0016 179.6635 72 L 3.7286 7.6893 117.5107 57.9427 41.3617 179.6953 73 E 4.0177 7.5969 117.2386 59.2035 29.1071 179.0591 74 I 3.8353 7.8515 120.2408 64.1773 37.0536 178.2340 75 Q 3.8830 7.9728 119.2496 59.1276 28.3398 179.0109 76 S 4.0845 7.2725 112.2918 61.3707 62.8169 175.9503 77 K 4.3444 7.4961 118.2892 55.6978 32.6959 176.6316 78 S 4.4736 7.7717 116.0513 57.6898 63.1797 174.9042 79 S 4.1657 8.8921 124.3190 61.6083 62.7611 176.5147 80 V 3.5794 7.9230 120.5390 66.1995 30.9692 177.7242 81 F 3.7816 7.8584 118.5432 60.9314 39.2931 176.5631 82 K 4.0410 7.9800 118.3246 59.4913 32.3887 177.8773 83 E 4.1001 8.4206 119.7739 59.3653 29.2774 179.2376 84 I 3.6489 6.8974 113.5765 62.6779 35.9838 176.6942 *86 D 4.6006 8.0816 121.5444 54.0370 42.6800 177.9080 87 S 3.9884 7.6968 113.3665 59.2620 62.9390 175.6450 88 G 3.8125 7.3473 104.1401 45.8002 0.0000 173.8159 89 K 4.4282 8.0267 118.2337 55.8432 33.7082 175.6786 90 A 5.1272 7.8046 121.6690 49.9427 22.0148 175.0024 91 N 4.8499 9.3473 121.4055 51.5469 41.6228 173.4389 92 I 4.5867 8.5241 128.3521 61.4918 37.4706 175.6012 93 Y 4.9099 8.5866 124.0693 56.4669 39.3890 175.4071 94 L 4.5952 7.2565 121.9363 54.0829 45.8472 173.9819 95 R 5.1430 8.4139 125.5176 55.2050 32.6603 173.4734 96 N 5.1640 9.3075 122.3853 51.7818 43.8879 173.0752 97 I 4.7535 8.6355 121.1604 59.6652 40.2312 174.8801 98 S 5.2253 9.2192 120.7465 56.4114 65.9331 173.4726 99 T 4.3264 8.5150 115.6086 61.5250 70.6678 173.4122 100 S 4.7269 8.5712 117.1669 56.6988 64.9312 172.7714 101 L 4.8561 8.8158 127.8167 52.3330 43.3932 175.3316 102 P 4.2860 0.0000 0.0000 63.2532 31.7522 176.0697 103 T 4.8218 8.1723 112.0501 59.8261 72.0338 174.6375 104 K 4.3582 8.7938 124.2730 54.9970 30.5702 176.1003 105 F 4.5815 7.6783 122.8480 56.6885 42.7957 174.6946 106 E 4.0646 7.6677 123.7807 54.9112 28.9217 174.1259 107 Q 4.2386 8.3078 124.9589 55.0090 29.5464 175.9874 108 S 4.7923 8.2334 116.4996 56.9333 64.2683 173.5976 109 Y 4.3312 8.2814 120.9884 58.1090 38.3361 175.7784 110 E 3.9981 7.9015 122.1089 56.1086 30.0083 176.1012 111 H 4.2623 8.8009 124.2113 55.3042 29.1677 173.6819 112 P 4.5967 0.0000 0.0000 62.7228 32.2602 176.0664 113 K 4.2049 8.7071 118.4819 57.7855 33.7831 176.3476 114 Y 5.3466 7.8937 115.7590 56.1422 42.5512 174.5400 115 I 5.2372 8.9201 122.4900 59.6526 41.1308 174.5261 116 V 4.7952 9.0658 126.5894 61.4065 33.5245 174.1795 117 L 5.3399 8.8180 128.1775 53.5887 43.9728 175.6943 118 T 5.0256 9.2056 119.9002 61.7403 72.5342 172.9263 119 R 5.2281 8.6773 124.2559 54.6690 33.6716 173.6889 120 A 5.2690 9.3355 126.3615 50.4363 23.5758 174.0376 121 E 5.0330 9.1806 120.8846 54.7482 31.6249 174.8001 122 A 5.0050 8.7121 125.8728 50.6007 22.3123 178.5289 123 A 4.4223 8.7353 121.4787 51.6353 17.8309 179.9753 *125 S 4.4789 8.5523 108.2450 59.2171 65.0469 175.0550 126 D 4.7092 7.9535 120.5080 54.1479 40.6068 177.9411 127 K 4.4639 8.0981 123.7277 59.8495 32.2849 178.6376 128 D 4.4666 8.1119 119.3061 56.8450 41.0263 178.4407 129 K 3.8321 8.0732 118.5803 59.4771 31.9948 178.7013 130 F 4.0855 8.5493 120.6898 61.4877 39.3530 176.9391 131 L 3.7833 8.2676 119.8367 58.0702 41.8184 178.6973 132 N 4.3367 8.4840 116.6564 56.4624 38.5157 177.0316 133 C 4.1089 8.1299 117.9977 62.9990 28.0285 176.1933 134 I 3.6613 7.4223 119.8251 64.6516 36.8064 178.0133 135 N 4.5294 8.3238 117.1902 56.2976 38.1377 177.2948 136 D 4.4690 8.4967 120.2529 56.4972 41.1809 177.7174 137 T 4.3060 7.8316 108.4116 61.4587 69.1879 176.0279 138 A 4.3596 7.7595 126.0116 55.9794 18.2641 180.1708 139 S 4.1521 8.1395 112.1225 61.5987 63.3213 176.0659 140 C 3.8992 7.9894 120.4478 62.8411 27.7439 176.2853 141 F 4.1974 8.1471 118.4021 60.4249 38.9054 177.5922 142 K 3.9566 8.3697 119.1547 59.7542 31.7852 178.3265 143 D 4.4325 8.2715 118.2244 57.2090 40.8365 177.8061 144 N 4.8482 7.2999 112.7188 52.8019 38.9239 175.6368 145 G 4.1079 7.9642 107.1201 44.8394 0.0000 174.5514 146 A 3.9347 8.2180 122.3886 52.7122 18.7184 177.4725 147 L 4.5609 9.1210 122.3272 56.4685 43.4022 176.8408 148 T 5.7716 7.4765 107.1243 58.7223 72.6654 172.3263 149 L 4.5862 8.0615 123.7683 53.5599 44.8944 175.3840 150 R 4.7389 8.9506 124.7586 54.5323 34.6453 174.1730 151 F 5.1781 8.1066 122.9658 57.0921 43.2820 173.8187 152 G 3.6818 6.8774 109.5815 46.5491 0.0000 171.1813 153 N 5.2467 7.6908 117.1489 50.8229 42.5125 174.3402 154 L 4.2011 8.4116 123.0905 55.1989 41.9792 178.1006 155 L 4.3010 8.9416 125.2381 56.4432 42.3825 176.9584 156 T 4.5188 7.9156 106.7658 59.9228 72.2402 173.1944 157 G 3.9668 8.4174 106.9852 45.8745 0.0000 174.1675 158 S 4.3926 8.3392 112.9694 60.1831 63.1061 174.9552 159 N 4.9865 7.8916 118.2106 52.3276 38.9990 174.5477 160 V 3.8003 7.2528 117.6303 63.7596 31.5639 175.1545 161 G 3.9852 9.0245 111.6453 45.3880 0.0000 173.8705 162 N 4.5978 7.9790 116.5356 53.8701 39.7446 174.5890 163 Y 4.3463 9.0977 119.9501 57.7495 39.7478 174.4094 164 L 5.0008 9.0347 123.9542 53.2854 45.8942 174.7130 165 L 5.3038 9.6393 128.0959 53.1887 45.3127 175.0340 166 G 4.4893 9.3291 113.2569 44.3872 0.0000 171.7273 167 V 4.6629 8.7875 124.7476 60.9568 34.9524 174.4779 168 G 4.3604 8.6724 115.2280 45.5205 0.0000 172.1861 169 Y 5.3809 9.2439 120.2226 55.6112 42.2461 174.6030 170 P 4.7368 0.0000 0.0000 64.6892 32.9799 176.2325 171 S 4.4638 7.5126 117.1981 58.3647 67.6563 176.4956 *173 E 4.1740 8.9394 116.6399 55.8992 30.9689 177.3045 174 A 4.1834 8.0870 120.4138 55.1191 18.2508 179.7155 175 I 3.1404 7.2675 117.2986 64.2673 37.0736 177.9938 176 E 3.8948 8.0930 119.5634 59.5464 29.5451 178.9974 177 K 3.9710 8.2926 118.4276 59.5467 31.9931 179.5158 178 T 3.7062 8.1674 116.2862 67.0186 68.4426 176.3484 179 Y 3.7601 8.2278 118.4903 60.5092 37.5765 177.8637 180 D 4.3178 8.0890 119.7929 57.4170 41.1460 178.2633 181 E 3.9939 7.8967 119.0769 59.0082 29.5582 178.3634 182 L 3.6197 7.8202 120.7326 58.1843 41.8624 179.0679 183 L 3.7808 7.5255 116.8114 56.2632 41.8552 177.4233 184 A 4.7747 7.5500 121.9232 52.3122 19.6852 176.4203 185 H 4.9048 7.8045 119.8747 54.7563 33.7030 173.0512 186 S 4.1112 8.3669 123.0845 61.9933 62.9299 176.9216 187 S 4.1344 8.3306 118.6182 61.1436 62.2940 176.0615 188 Y 3.9041 7.9830 120.9622 60.7648 38.8237 177.6283 189 K 4.0133 7.9199 117.9493 59.4036 32.1493 178.6692 190 E 4.1008 8.2392 119.2478 58.7127 30.1941 179.8362 191 L 3.0327 7.6035 122.7561 54.3753 41.7913 178.5542 *193 T 4.3107 7.9693 108.6737 60.7537 70.6484 174.0316 194 F 4.9053 7.6187 113.1072 55.7759 39.0672 174.1636 195 A 4.7814 7.2045 121.9756 50.2062 22.0946 175.4688 196 K 4.3913 8.7602 123.4721 54.2168 34.4474 175.5158 197 V 4.2508 8.5427 128.7378 62.5912 32.0936 175.4268 198 N 4.8827 8.8383 126.0051 52.5541 37.6413 173.9584 *200 R 4.4321 7.9009 117.8217 57.3658 31.0953 174.0914 201 N 5.1228 9.1492 121.7897 52.1032 44.0194 173.1306 202 I 4.9331 8.4814 122.1784 59.8915 39.8009 174.6618 203 I 4.9063 9.2311 127.7658 59.4745 39.9033 174.4389 204 K 4.6764 8.9139 128.6897 54.8986 33.5650 175.6640 205 I 4.1864 8.3152 129.7782 61.3892 37.6796 176.4538 206 L 4.2635 8.5550 126.3258 54.8936 41.6573 176.3374 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 G 8.34 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 *2 S 8.29 4.45 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 7.94 4.54 0.00 2.80 2.90 0.00 0.00 7.07 7.45 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 4 I 7.50 4.05 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.19 0.32 0.00 0.00 5 N 8.54 5.25 0.00 2.53 2.90 0.00 0.00 6.61 7.07 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 6 Y 9.28 4.98 0.00 2.94 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 7 V 8.99 4.82 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 0.87 0.00 0.00 1.10 0.00 0.00 8 I 8.44 4.69 1.69 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.19 0.67 0.00 0.00 9 L 8.91 5.04 0.00 1.49 1.46 0.90 0.34 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 10 T 8.99 5.04 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 11 V 8.83 4.84 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 12 A 8.96 5.37 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.28 4.96 0.00 3.99 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 14 V 8.23 5.05 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 1.00 0.00 0.00 1.06 0.00 0.00 15 D 8.83 4.53 0.00 2.83 2.66 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 0.00 0.00 0.00 16 F 9.30 4.09 0.00 3.19 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 17 S 8.27 4.29 0.00 4.16 4.12 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 0.00 0.00 0.00 18 Y 8.00 4.47 0.00 3.06 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 19 R 7.48 4.16 0.00 1.58 1.83 0.00 2.82 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 20 E 7.85 4.09 0.00 1.92 1.92 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 2.32 2.26 0.00 21 T 6.88 3.60 3.71 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 0.92 0.00 0.00 *23 A 8.03 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.79 4.01 0.00 1.96 1.92 0.00 3.10 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 25 L 7.90 3.87 0.00 1.47 1.55 0.81 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *27 S 8.12 4.38 0.00 4.02 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 28 S 7.82 4.02 0.00 3.99 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 29 Y 8.14 4.16 0.00 3.02 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 30 S 8.14 4.21 0.00 4.14 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 31 K 7.98 3.87 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 32 D 7.88 4.49 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 33 L 7.58 3.93 0.00 1.85 1.72 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.85 3.98 1.99 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 1.69 1.25 0.93 0.00 0.00 35 D 8.36 4.52 0.00 2.66 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 36 N 8.31 4.78 0.00 2.82 2.82 0.00 0.00 6.95 7.12 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 37 A 7.96 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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71 A 7.80 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.69 3.73 0.00 1.55 1.49 0.57 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.60 4.02 0.00 1.99 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 2.27 2.24 0.00 74 I 7.85 3.84 1.98 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 1.69 1.31 0.92 0.00 0.00 75 Q 7.97 3.88 0.00 2.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 1.48 2.25 0.00 76 S 7.27 4.08 0.00 4.04 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 77 K 7.50 4.34 0.00 2.04 1.90 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.30 7.81 78 S 7.77 4.47 0.00 4.16 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 79 S 8.89 4.17 0.00 3.94 3.92 0.00 0.00 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2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.28 7.81 114 Y 7.89 5.35 0.00 3.01 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 0.00 115 I 8.92 5.24 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.09 1.04 0.00 0.00 116 V 9.07 4.80 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 1.16 0.00 0.00 1.01 0.00 0.00 117 L 8.82 5.34 0.00 1.69 1.60 0.93 0.46 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 0.00 118 T 9.21 5.03 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 1.39 0.00 0.00 119 R 8.68 5.23 0.00 1.89 1.89 0.00 3.14 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 120 A 9.34 5.27 1.45 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 0.00 0.00 121 E 9.18 5.03 0.00 2.11 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 2.32 0.00 122 A 8.71 5.01 1.54 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 0.00 0.00 123 A 8.74 4.42 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 *125 S 8.55 4.48 0.00 4.03 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 0.00 126 D 7.95 4.71 0.00 3.11 2.66 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 0.00 0.00 0.00 127 K 8.10 4.46 0.00 2.22 2.32 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.52 7.81 128 D 8.11 4.47 0.00 2.74 2.78 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 0.00 129 K 8.07 3.83 0.00 1.51 1.44 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.30 7.81 130 F 8.55 4.09 0.00 3.36 3.17 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 0.00 131 L 8.27 3.78 0.00 2.03 1.90 0.97 0.82 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 0.00 132 N 8.48 4.34 0.00 2.98 2.87 0.00 0.00 6.98 7.78 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 0.00 133 C 8.13 4.11 0.00 3.06 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 0.00 134 I 7.42 3.66 1.58 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 -0.16 0.61 0.00 0.00 135 N 8.32 4.53 0.00 2.87 2.87 0.00 0.00 7.07 7.62 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 0.00 136 D 8.50 4.47 0.00 2.84 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 0.00 137 T 7.83 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 138 A 7.76 4.36 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.15 0.00 4.21 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 0.00 140 C 7.99 3.90 0.00 2.91 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.20 0.00 3.48 3.14 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 0.00 142 K 8.37 3.96 0.00 1.83 1.72 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 143 D 8.27 4.43 0.00 2.74 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 0.00 144 N 7.30 4.85 0.00 2.94 2.87 0.00 0.00 7.27 7.53 0.00 0.00 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 7.96 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 0.00 146 A 8.22 3.93 1.28 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 0.00 0.00 147 L 9.12 4.56 0.00 1.53 1.70 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.48 5.77 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 149 L 8.06 4.59 0.00 0.27 0.22 -0.23 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.95 4.74 0.00 1.66 1.67 0.00 2.97 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.00 151 F 8.11 5.18 0.00 3.01 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 0.00 152 G 6.88 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.69 5.25 0.00 2.38 2.31 0.00 0.00 7.46 6.47 0.00 0.00 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 L 8.41 4.20 0.00 1.53 1.55 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.94 4.30 0.00 1.64 1.72 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.92 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 1.20 0.00 0.00 157 G 8.42 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 0.00 0.00 0.00 158 S 8.34 4.39 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 0.00 159 N 7.89 4.99 0.00 2.80 2.94 0.00 0.00 6.86 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 0.00 160 V 7.25 3.80 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.92 0.00 0.00 161 G 9.02 3.99 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 0.00 0.00 0.00 162 N 7.98 4.60 0.00 2.78 2.87 0.00 0.00 6.92 6.99 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 0.00 163 Y 9.10 4.35 0.00 2.77 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 0.00 164 L 9.03 5.00 0.00 1.60 1.34 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 165 L 9.64 5.30 0.00 1.95 1.60 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 166 G 9.33 4.49 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 0.00 0.00 0.00 167 V 8.79 4.66 2.24 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 0.39 0.00 0.00 0.53 0.00 0.00 168 G 8.67 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.24 5.38 0.00 2.97 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 0.00 170 P 0.00 4.74 0.00 2.27 2.41 0.00 4.10 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 171 S 7.51 4.46 0.00 4.08 3.57 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 *173 E 8.94 4.17 0.00 2.06 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 0.00 2.29 2.32 0.00 174 A 8.09 4.18 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.27 3.14 1.61 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.20 0.75 0.00 0.00 176 E 8.09 3.89 0.00 1.98 2.10 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 2.47 2.39 0.00 177 K 8.29 3.97 0.00 1.81 1.99 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.63 7.81 178 T 8.17 3.71 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 179 Y 8.23 3.76 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.09 4.32 0.00 2.77 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 0.00 181 E 7.90 3.99 0.00 1.99 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 2.23 2.26 0.00 182 L 7.82 3.62 0.00 1.24 1.04 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.53 3.78 0.00 1.68 1.70 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.55 4.77 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 0.00 185 H 7.80 4.90 0.00 3.24 3.22 0.00 5.60 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 0.00 186 S 8.37 4.11 0.00 4.08 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 0.00 187 S 8.33 4.13 0.00 3.98 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 0.00 188 Y 7.98 3.90 0.00 2.92 3.17 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 0.00 189 K 7.92 4.01 0.00 1.93 1.87 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.56 7.81 190 E 8.24 4.10 0.00 2.08 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 2.47 2.36 0.00 191 L 7.60 3.03 0.00 1.50 1.20 -0.82 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 *193 T 7.97 4.31 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 1.20 0.00 0.00 194 F 7.62 4.91 0.00 3.08 3.04 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 0.00 195 A 7.20 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 196 K 8.76 4.39 0.00 1.83 1.70 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 197 V 8.54 4.25 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 0.93 0.00 0.00 1.03 0.00 0.00 198 N 8.84 4.88 0.00 2.84 2.88 0.00 0.00 6.94 7.99 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 *200 R 7.90 4.43 0.00 1.92 1.92 0.00 3.05 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 201 N 9.15 5.12 0.00 2.66 2.66 0.00 0.00 6.58 7.01 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 0.00 202 I 8.48 4.93 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.91 0.00 0.00 203 I 9.23 4.91 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.96 0.00 0.00 204 K 8.91 4.68 0.00 2.05 1.74 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.21 7.81 205 I 8.32 4.19 1.85 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 1.32 1.12 0.97 0.00 0.00 206 L 8.56 4.26 0.00 1.76 1.63 0.87 0.68 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 * Residues marked with a * may have inaccurate shift predictions.