NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4685 8.2929 117.0992 57.6679 64.4124 175.0684 22 S 4.3467 8.5107 117.1475 64.4214 61.8704 173.4203 23 R 4.1969 8.2685 124.9291 62.7480 29.6311 180.6544 24 L 4.2178 8.2712 124.8687 60.6345 40.6222 181.3205 25 D 4.6847 9.8428 121.9293 57.8374 39.8141 181.0913 26 A 4.2248 8.1960 122.4112 56.4080 18.3646 179.9540 27 E 4.1525 8.3454 117.0741 60.5929 29.9706 181.3444 28 L 4.5174 8.1581 124.6573 60.6198 41.2703 184.9409 29 K 4.2835 8.3357 127.0432 60.4150 31.6902 181.1259 30 L 4.1662 8.2494 123.2988 59.5985 40.6019 181.6294 31 A 4.3733 8.0129 119.9814 54.4338 18.6244 179.6679 32 G 3.7320 8.2714 107.1498 48.8395 0.0000 176.4757 33 E 4.1486 8.5591 124.1056 61.0189 29.4227 181.1992 *34 F 4.5311 7.7114 118.1058 60.7439 38.0859 180.0622 35 G 4.2611 7.4373 105.2938 47.7456 0.0000 175.3019 36 L 4.1681 8.2682 124.2866 56.4595 42.5049 183.2451 37 K 4.2253 8.4248 118.3913 55.0648 32.0369 180.5776 38 N 4.5471 9.1908 119.6696 53.4102 43.3516 178.2691 39 K 4.1953 8.0664 119.5613 57.3907 32.1134 182.5247 40 K 4.7588 7.4842 111.7605 54.9295 34.7602 170.7236 41 E 5.1832 7.4446 130.8062 57.4840 34.0367 181.3902 42 I 4.7418 7.9060 118.5363 59.7127 36.3601 177.4544 *43 Y 4.2523 8.0800 127.9899 62.5040 37.1261 179.5881 44 R 4.2009 8.2307 122.3838 62.6662 29.2422 184.4867 45 I 4.0059 7.9719 122.4266 66.5325 35.4911 181.0067 46 S 4.2796 8.4112 121.5116 64.5094 61.7261 178.5591 *47 F 4.2499 8.8580 124.7653 63.2648 37.9854 179.9382 48 Q 4.2386 8.4453 123.0625 60.8616 27.8606 181.2778 49 L 4.2482 8.6396 125.6476 60.6829 41.0510 182.0606 50 S 4.3324 8.4070 121.7034 64.2512 62.1111 179.0205 51 K 4.1276 8.6698 129.0746 61.3733 31.0345 180.7749 52 I 3.9582 8.1749 122.3102 65.6335 35.1195 181.1468 53 R 4.2693 8.3983 122.1471 63.1044 29.4642 181.1518 54 R 3.9408 8.0125 118.0035 59.9363 29.0043 181.3584 55 A 3.9430 9.4867 113.8706 53.2299 18.7567 182.7471 56 A 3.1461 6.4006 125.5603 52.2318 20.8900 181.0014 57 R 4.0423 5.8400 126.3568 62.0695 30.3527 179.9274 58 D 4.6994 9.8559 124.5169 58.1331 39.5557 180.8548 59 L 4.3015 7.8613 126.1619 59.8627 42.2357 182.0628 60 L 4.6846 8.3275 125.4475 57.2703 37.0688 179.5777 61 T 4.0890 7.8103 117.0477 63.9341 69.2549 178.1559 62 R 4.3059 7.7469 122.9108 56.7092 30.6561 180.5404 63 D 5.4082 7.8514 128.8446 53.2242 41.1007 180.0764 64 E 5.2726 6.9263 117.6944 57.2148 33.5627 181.6761 65 K 4.6309 8.2688 113.0136 55.4356 32.3711 173.1409 66 D 4.7338 8.2260 123.5574 52.8966 40.3495 179.0534 67 P 4.2679 0.0000 0.0000 64.9754 30.1515 180.3086 68 K 4.1478 8.5625 123.6800 60.8558 32.0804 185.0000 69 R 4.2198 8.2300 124.0603 62.7020 28.9643 180.3631 70 L 4.4234 8.1274 123.9179 59.5901 40.9980 182.8803 *71 F 4.2753 8.5420 122.3894 62.8293 38.2152 180.3366 72 E 4.3603 8.3933 119.1257 60.7568 29.3013 180.6856 73 G 4.0658 8.7609 109.4741 46.5266 0.0000 175.0928 74 N 4.3659 8.7749 126.5452 56.9494 38.6560 177.6766 75 A 4.3451 8.2545 123.9417 55.7288 18.0408 179.8135 76 L 4.0513 8.3852 127.2584 59.3618 41.7434 182.2238 77 I 4.2676 8.1994 121.6101 65.6383 35.0940 182.9546 78 R 4.3083 7.7844 118.1434 57.3859 29.0581 182.3003 79 R 4.0026 8.0967 123.7737 60.3767 29.4983 179.8671 80 L 4.0684 7.6761 119.0038 58.6497 39.7583 178.8675 81 V 4.2008 9.9686 127.2288 61.2831 28.7298 169.0955 82 R 3.3748 9.0810 119.1557 58.3500 27.6510 181.1284 83 V 3.7492 8.4394 117.0238 60.5201 30.9501 169.3373 84 G 4.2443 8.3205 107.8795 45.9676 0.0000 176.4537 85 V 3.7479 8.2558 118.5156 61.6815 29.9083 173.0569 86 L 4.4673 8.6496 120.0040 56.0823 42.2142 175.3697 87 S 4.6694 8.5098 117.6357 58.2333 70.0800 179.6554 88 E 5.1966 7.4614 119.0361 55.0031 31.2452 177.8423 89 D 4.2819 8.7087 125.3108 54.0340 43.8299 175.4937 90 K 4.0236 9.3134 123.1873 57.1870 32.0071 174.8894 91 K 4.0465 8.3463 122.1962 56.1451 28.9084 181.1704 92 K 4.0250 8.9550 127.0634 57.4530 30.6232 176.1404 93 L 4.6371 8.4265 126.7843 53.6999 42.2029 175.6554 94 D 4.3615 8.1586 119.8911 57.4746 40.3364 183.8406 *95 Y 4.2313 8.3191 121.8534 63.4813 36.8686 184.4295 96 V 3.8597 9.1487 124.2723 66.9774 31.5395 181.0772 97 L 3.9989 7.5472 121.4665 59.9907 40.7190 180.7010 98 A 4.4012 8.0203 122.6301 54.0389 19.1048 182.3993 99 L 4.3858 9.5817 119.9272 55.9377 41.5888 185.0000 100 K 3.7667 9.7010 119.8434 56.9794 32.1279 177.1026 101 V 3.4489 6.7527 114.9947 65.6953 32.4960 180.2064 102 E 4.5155 9.2120 117.6497 56.8916 29.9907 179.3782 103 D 4.7158 8.0496 119.4798 56.5036 42.9458 182.6894 *104 F 3.9936 8.4742 120.2033 60.0780 38.1961 179.3764 105 L 4.3072 8.3717 121.1950 58.4183 42.1200 183.3419 106 E 4.4135 8.2705 116.2909 54.9839 29.9621 184.6075 107 R 3.7948 9.6429 120.1870 57.1882 28.9767 178.2175 108 R 4.3096 5.8400 114.3989 56.9704 30.9761 180.6416 109 L 3.8287 8.7540 120.9204 58.3905 41.0183 180.2888 110 Q 4.1290 8.2633 117.9432 58.4390 28.2160 181.0604 111 T 4.2936 8.4210 110.7635 61.9502 71.5136 177.3830 112 Q 4.8259 6.4165 123.0319 55.3153 25.6494 180.6534 113 V 4.4232 7.3736 116.0475 62.4325 37.2023 176.8415 *114 Y 4.2944 8.3222 121.4303 60.3718 37.8665 184.5630 115 K 4.8494 7.8672 124.7696 53.9321 30.5458 180.4172 116 L 4.4422 7.7989 115.1011 55.4156 42.9479 178.0826 117 G 4.1936 7.9610 115.7496 47.5037 0.0000 176.5395 118 L 3.9244 7.7859 119.5797 56.4839 40.1955 179.7602 119 A 4.1766 7.6785 124.7632 52.0605 18.5739 179.5021 120 K 4.1538 8.5348 127.4263 55.9896 32.3112 174.7395 121 S 5.4165 8.1534 126.9932 60.7862 66.3102 185.0000 122 V 2.6349 7.1834 122.5821 59.9601 33.3132 174.2402 *123 H 3.7030 7.4779 114.0787 59.2139 29.3217 178.5629 *124 H 4.1942 8.4401 117.8375 53.3868 27.6666 177.6601 125 A 4.7303 7.5707 128.9436 53.1075 26.3000 179.7989 126 R 4.0701 8.4392 118.5323 62.3199 29.4886 182.2270 127 V 3.7644 7.6375 120.6246 66.5508 31.3269 181.4571 128 L 4.3876 7.8243 123.6892 59.5171 41.1746 181.4169 129 I 4.1400 8.1824 123.7453 64.3107 35.6311 181.2994 130 T 4.4164 9.8905 114.9199 61.8480 67.7777 180.6880 131 Q 3.7582 7.1945 118.4974 59.2160 24.9509 179.1752 132 R 3.6747 8.7580 123.0082 59.1403 29.6934 179.0182 *133 H 4.0994 8.0205 113.7287 55.3270 28.0835 174.7312 134 I 3.1574 8.4372 116.3078 61.6363 32.9214 169.1758 135 A 4.6718 8.2639 129.8695 50.1886 21.9796 177.4740 136 V 3.8318 7.9429 119.1325 60.3209 30.2672 175.1184 137 G 3.7470 9.5708 109.9741 46.7903 0.0000 169.2825 138 K 4.0448 8.4140 131.9799 55.8944 32.2509 172.8544 139 Q 3.4852 8.8006 128.9807 54.2958 28.4332 174.5633 140 I 4.1935 8.2478 122.8041 61.1663 36.1714 173.3976 141 V 4.5299 8.1463 106.4701 62.2845 33.7423 168.6910 142 N 4.7524 8.5232 124.0190 55.4377 38.1215 175.8992 143 I 3.8885 7.8498 121.7496 59.5672 35.2422 178.4447 144 P 4.7493 0.0000 0.0000 61.6475 30.6328 179.0194 145 S 4.8351 9.4939 111.9766 58.7011 65.5111 179.4922 *146 F 4.7171 7.7623 132.3790 56.9114 37.6665 177.9965 147 M 4.8126 8.4518 119.4107 55.8018 34.9006 172.8300 148 V 4.4467 7.9761 120.5287 59.8424 34.0330 176.8563 149 R 4.3064 8.7665 119.2343 56.9544 32.8836 174.9774 150 L 3.6685 8.7740 125.3670 55.0383 37.7046 170.8367 151 D 4.5495 8.1841 125.1251 56.3168 40.8006 175.9433 152 S 4.1978 7.8853 120.5186 56.4814 61.6157 176.2900 153 E 5.9102 7.7391 132.4699 56.8554 32.1893 178.9698 154 K 4.5094 8.3527 124.1890 55.7691 31.1505 182.1836 *155 H 4.7812 7.7110 125.8204 55.3496 29.8448 178.3618 156 I 3.9859 8.4949 114.1791 62.0012 36.3673 172.5267 157 D 4.6110 8.7677 122.4080 54.4369 38.2818 178.9847 *158 F 3.9694 8.6237 121.1163 57.3692 36.5846 179.5394 159 A 3.8630 7.9620 124.1268 53.7872 17.7098 179.2578 *168 R 4.3043 8.0108 114.2766 56.0247 31.6658 178.3823 169 P 4.7302 0.0000 0.0000 61.3966 33.7869 176.1647 170 G 3.9283 9.0057 109.7628 47.5875 0.0000 174.6961 171 R 4.0545 8.4812 126.8784 59.0738 30.1448 177.7451 172 V 3.6855 7.8462 115.1873 62.7198 31.5743 177.8636 173 A 4.6179 7.9332 124.1485 52.1255 19.3358 175.7433 174 R 5.0528 7.7240 131.8575 58.1921 31.4869 173.7973 175 R 4.5582 7.6772 111.5237 58.5009 32.2495 181.7193 176 N 4.7565 8.0667 113.6949 52.4270 37.8522 178.1263 177 A 4.3796 7.8309 120.5895 52.7256 17.0410 179.8591 178 A 4.1628 7.9273 127.1866 55.0467 19.2259 180.5228 179 R 3.9262 8.0210 116.1599 57.9695 29.4835 184.5562 180 K 4.3205 7.8575 115.6870 56.2579 31.2222 183.1969 181 A 4.5761 7.5350 123.5322 54.1859 20.1037 179.2045 182 E 4.4215 8.5095 115.0946 57.3335 29.0824 181.6296 183 A 4.3258 8.3436 128.1853 53.7528 16.3014 178.5796 184 S 4.9915 7.9999 118.0187 56.3140 66.2508 174.2737 185 G 3.8008 8.5452 105.4391 47.6445 0.0000 172.7566 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 21 S 8.29 4.47 0.00 3.67 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 22 S 8.51 4.35 0.00 3.81 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 23 R 8.27 4.20 0.00 1.81 1.97 0.00 3.24 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 24 L 8.27 4.22 0.00 1.64 1.63 0.92 1.02 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 25 D 9.84 4.68 0.00 2.68 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 26 A 8.20 4.22 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 27 E 8.35 4.15 0.00 2.05 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 2.26 2.21 0.00 28 L 8.16 4.52 0.00 1.66 1.67 0.92 0.89 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 29 K 8.34 4.28 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.38 7.81 30 L 8.25 4.17 0.00 1.64 1.73 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.01 4.37 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 32 G 8.27 3.73 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 0.00 0.00 0.00 33 E 8.56 4.15 0.00 1.98 1.99 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 2.25 2.21 0.00 *34 F 7.71 4.53 0.00 2.39 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 0.00 0.00 0.00 0.00 35 G 7.44 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 0.00 0.00 0.00 36 L 8.27 4.17 0.00 1.70 1.61 0.92 0.53 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 37 K 8.42 4.23 0.00 1.73 1.42 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.21 7.81 38 N 9.19 4.55 0.00 2.67 2.66 0.00 0.00 6.44 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.07 4.20 0.00 1.76 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.37 1.03 7.81 40 K 7.48 4.76 0.00 1.71 1.59 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 0.96 7.81 41 E 7.44 5.18 0.00 1.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 42 I 7.91 4.74 1.87 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 1.27 0.50 0.91 0.00 0.00 *43 Y 8.08 4.25 0.00 2.31 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 0.00 0.00 0.00 0.00 44 R 8.23 4.20 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 45 I 7.97 4.01 1.87 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 1.38 0.54 0.91 0.00 0.00 46 S 8.41 4.28 0.00 3.72 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 *47 F 8.86 4.25 0.00 2.27 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 0.00 0.00 0.00 0.00 48 Q 8.45 4.24 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 49 L 8.64 4.25 0.00 1.63 1.74 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.41 4.33 0.00 3.71 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 51 K 8.67 4.13 0.00 1.74 1.89 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.36 7.81 52 I 8.17 3.96 1.87 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 1.38 0.53 0.91 0.00 0.00 53 R 8.40 4.27 0.00 1.85 1.99 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 54 R 8.01 3.94 0.00 1.90 1.81 0.00 3.27 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 55 A 9.49 3.94 1.26 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 0.00 0.00 56 A 6.40 3.15 1.49 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 57 R 5.84 4.04 0.00 1.95 1.90 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 58 D 9.86 4.70 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 59 L 7.86 4.30 0.00 1.73 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.33 4.68 0.00 1.68 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.81 4.09 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 62 R 7.75 4.31 0.00 1.82 1.83 0.00 3.36 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 63 D 7.85 5.41 0.00 2.74 2.61 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 64 E 6.93 5.27 0.00 2.06 1.67 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 1.99 1.61 0.00 65 K 8.27 4.63 0.00 1.71 1.59 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.96 7.81 66 D 8.23 4.73 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.27 0.00 2.15 2.15 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 68 K 8.56 4.15 0.00 1.71 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.31 7.81 69 R 8.23 4.22 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 70 L 8.13 4.42 0.00 1.64 1.61 0.92 1.08 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 *71 F 8.54 4.28 0.00 2.30 2.34 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 72 E 8.39 4.36 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 73 G 8.76 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 0.00 0.00 0.00 74 N 8.77 4.37 0.00 2.83 2.77 0.00 0.00 6.58 7.46 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 75 A 8.25 4.35 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 76 L 8.39 4.05 0.00 1.75 1.61 0.92 1.22 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 77 I 8.20 4.27 1.87 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 1.38 0.54 0.91 0.00 0.00 78 R 7.78 4.31 0.00 1.83 1.83 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 79 R 8.10 4.00 0.00 1.75 1.97 0.00 3.24 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 80 L 7.68 4.07 0.00 1.66 1.55 0.92 0.81 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 81 V 9.97 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.93 0.00 0.00 82 R 9.08 3.37 0.00 1.81 1.85 0.00 3.36 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 83 V 8.44 3.75 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 0.66 0.00 0.00 0.93 0.00 0.00 84 G 8.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.26 3.75 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 0.69 0.00 0.00 0.93 0.00 0.00 86 L 8.65 4.47 0.00 1.61 1.27 0.92 0.66 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 87 S 8.51 4.67 0.00 3.56 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 0.00 88 E 7.46 5.20 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 89 D 8.71 4.28 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 90 K 9.31 4.02 0.00 1.93 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 0.99 7.81 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 100 K 9.70 3.77 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 0.99 7.81 101 V 6.75 3.45 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 0.63 0.00 0.00 0.93 0.00 0.00 102 E 9.21 4.52 0.00 1.93 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 2.26 2.12 0.00 103 D 8.05 4.72 0.00 2.53 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 F 8.47 3.99 0.00 2.25 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 0.00 0.00 0.00 0.00 105 L 8.37 4.31 0.00 1.65 1.64 0.92 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 0.00 106 E 8.27 4.41 0.00 1.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 107 R 9.64 3.79 0.00 1.82 1.73 0.00 3.33 0.00 0.00 3.34 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 0.00 108 R 5.84 4.31 0.00 1.75 1.89 0.00 3.26 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 109 L 8.75 3.83 0.00 1.65 1.64 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.26 4.13 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.87 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 111 T 8.42 4.29 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 0.00 112 Q 6.42 4.83 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 113 V 7.37 4.42 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 0.59 0.00 0.00 0.93 0.00 0.00 *114 Y 8.32 4.29 0.00 2.24 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 0.00 0.00 0.00 0.00 115 K 7.87 4.85 0.00 1.77 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 116 L 7.80 4.44 0.00 1.61 1.48 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.79 3.92 0.00 1.68 1.62 0.92 0.73 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 0.00 119 A 7.68 4.18 1.36 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 0.00 120 K 8.53 4.15 0.00 1.81 1.75 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.26 7.81 121 S 8.15 5.42 0.00 3.91 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 0.00 122 V 7.18 2.63 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 0.66 0.00 0.00 0.93 0.00 0.00 *123 H 7.48 3.70 0.00 2.83 2.99 0.00 7.18 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 H 8.44 4.19 0.00 2.84 3.08 0.00 7.21 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.57 4.73 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 0.00 126 R 8.44 4.07 0.00 1.86 1.98 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 127 V 7.64 3.76 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 0.71 0.00 0.00 0.93 0.00 0.00 128 L 7.82 4.39 0.00 1.74 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.18 4.14 1.87 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 1.38 0.53 0.91 0.00 0.00 130 T 9.89 4.42 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 0.00 131 Q 7.19 3.76 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 5.95 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 132 R 8.76 3.67 0.00 1.94 1.88 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 *133 H 8.02 4.10 0.00 2.92 2.95 0.00 7.32 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.44 3.16 1.87 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 1.35 0.99 0.91 0.00 0.00 135 A 8.26 4.67 1.26 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 0.00 0.00 136 V 7.94 3.83 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 0.73 0.00 0.00 0.93 0.00 0.00 137 G 9.57 3.75 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 0.00 0.00 0.00 138 K 8.41 4.04 0.00 1.98 1.76 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 0.99 7.81 139 Q 8.80 3.49 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.26 1.90 0.00 140 I 8.25 4.19 1.87 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 1.27 1.10 0.91 0.00 0.00 141 V 8.15 4.53 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 0.00 142 N 8.52 4.75 0.00 2.73 2.80 0.00 0.00 6.88 7.72 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 0.00 143 I 7.85 3.89 1.87 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 1.27 0.53 0.91 0.00 0.00 144 P 0.00 4.75 0.00 2.08 1.96 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 145 S 9.49 4.84 0.00 3.57 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 F 7.76 4.72 0.00 2.29 1.87 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 0.00 147 M 8.45 4.81 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.10 0.00 148 V 7.98 4.45 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 0.89 0.00 0.00 0.93 0.00 0.00 149 R 8.77 4.31 0.00 1.76 1.67 0.00 3.38 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 150 L 8.77 3.67 0.00 1.78 1.56 0.92 0.99 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 0.00 151 D 8.18 4.55 0.00 2.60 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.89 4.20 0.00 3.62 3.76 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 0.00 153 E 7.74 5.91 0.00 1.92 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 2.07 1.62 0.00 154 K 8.35 4.51 0.00 1.73 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *155 H 7.71 4.78 0.00 2.83 2.95 0.00 7.14 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.49 3.99 1.87 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 1.27 1.16 0.91 0.00 0.00 157 D 8.77 4.61 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 F 8.62 3.97 0.00 2.46 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 0.00 0.00 0.00 0.00 159 A 7.96 3.86 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 *168 R 8.01 4.30 0.00 1.87 1.90 0.00 3.33 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 169 P 0.00 4.73 0.00 2.03 1.79 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.00 170 G 9.01 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 0.00 0.00 0.00 171 R 8.48 4.05 0.00 1.75 1.91 0.00 3.28 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 172 V 7.85 3.69 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 0.88 0.00 0.00 0.93 0.00 0.00 173 A 7.93 4.62 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 0.00 174 R 7.72 5.05 0.00 1.85 1.83 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 175 R 7.68 4.56 0.00 1.76 1.79 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 176 N 8.07 4.76 0.00 2.74 2.72 0.00 0.00 6.63 7.46 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 0.00 177 A 7.83 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 178 A 7.93 4.16 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 0.00 179 R 8.02 3.93 0.00 1.75 1.94 0.00 3.26 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 180 K 7.86 4.32 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.26 7.81 181 A 7.53 4.58 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 0.00 182 E 8.51 4.42 0.00 1.96 1.84 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 2.26 2.13 0.00 183 A 8.34 4.33 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.00 4.99 0.00 3.59 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 0.00 185 G 8.55 3.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.