NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7702 8.3544 109.7355 44.9889 0.0000 173.6292 2 D 4.3393 8.0293 120.0600 51.9339 40.2363 173.8449 3 T 4.4914 8.9760 116.8588 61.1394 70.1675 174.6496 4 R 4.0639 7.7996 120.9464 55.6824 30.5916 174.9628 5 P 4.0914 0.0000 0.0000 62.7506 31.8866 175.8203 6 R 4.3606 7.7815 121.8493 54.2933 32.1313 175.1948 7 F 4.8158 8.3894 121.3139 55.5893 41.9162 173.8523 8 L 4.8134 8.9692 128.1086 53.0814 44.7488 174.6110 9 Q 5.4004 8.8153 126.6175 54.4956 31.2717 174.3635 10 Q 4.8304 9.5916 124.9713 54.2268 32.9815 174.1372 11 D 5.2264 8.7167 121.2625 52.5303 44.6761 175.0016 12 K 4.5327 9.1427 122.7376 54.7312 35.6099 174.7447 13 Y 4.8976 8.8579 122.9753 56.6084 39.2915 174.7512 14 E 4.7521 9.4947 125.4094 54.8953 32.1243 174.9359 15 C 5.2754 8.8031 120.4778 55.6748 43.8161 172.9077 16 H 4.7027 8.9361 122.3046 54.0581 30.3431 174.2167 17 F 5.2918 8.5165 121.7280 55.6216 41.4903 174.8389 18 F 4.6091 9.0465 121.4622 56.8510 42.3935 174.0316 19 N 4.2980 10.0774 117.8111 54.7250 36.2349 175.1087 20 G 3.7662 7.9260 113.5667 47.2037 0.0000 172.2188 21 T 4.4815 8.1642 114.1494 61.0906 69.1254 175.0456 22 E 4.0317 8.1804 124.7722 59.4939 29.8188 177.0768 23 R 4.6884 8.0570 118.9409 54.3945 32.9633 173.9516 24 V 5.0471 8.6004 125.4818 61.0425 34.7530 174.3862 25 R 4.6238 8.9732 127.2333 54.5832 32.9274 173.6337 26 F 5.3219 9.2753 129.6761 57.1697 41.4362 174.2189 27 L 4.9042 8.3007 127.0986 53.5475 45.8702 173.9928 28 H 4.9245 8.9667 126.2896 54.4682 32.2040 172.8764 29 R 4.8928 9.0805 125.4883 54.3859 32.8767 174.2316 30 D 5.3967 8.8918 124.2291 52.5628 43.6788 174.8658 31 I 5.0076 9.2965 127.0607 59.6705 40.8581 173.5856 32 Y 4.8082 8.9794 128.5442 58.1948 40.4889 176.2283 33 N 4.0056 9.8292 127.7833 54.1603 37.5397 174.7106 34 Q 4.4947 9.2213 121.4528 55.9850 31.0559 172.9120 35 E 4.6119 8.3003 117.3211 54.3424 31.2377 174.9512 36 E 4.4574 8.8748 125.7315 56.2591 30.3214 175.5291 37 D 5.0365 9.0342 125.1880 52.8079 42.1715 175.7697 38 L 5.1659 7.7420 120.1778 53.6372 46.1394 174.6379 39 R 5.1210 8.9320 123.5995 54.9028 34.3560 173.4290 40 F 4.5273 8.9746 127.2754 56.3575 42.1354 172.9749 41 D 4.8925 7.7409 126.9051 52.1696 42.1969 177.1041 42 S 4.4368 9.2304 122.0924 61.5064 63.0388 176.3446 43 D 4.3306 8.5147 120.1236 56.1275 40.8378 177.2849 44 V 3.7818 7.9003 118.5552 62.8139 32.1082 176.9920 45 G 4.0222 8.5374 104.4912 45.0012 0.0000 172.4180 46 E 5.0352 6.9497 115.0087 54.8774 32.5374 174.1690 47 Y 4.6239 9.6020 118.1705 58.4641 39.0802 175.9452 48 R 4.8380 9.0417 120.7656 54.5959 35.0783 174.3084 49 A 4.6951 8.8300 126.2468 52.1558 18.4979 177.5798 50 V 4.1409 8.5828 122.6915 63.0152 32.8533 176.3166 51 T 4.7828 7.6503 109.3535 58.5407 72.2758 174.1089 52 E 3.9489 8.8978 121.1781 59.9566 29.0767 179.7382 53 L 4.1084 8.0421 117.4689 57.2860 41.9872 178.7870 54 G 3.8993 8.2043 104.1503 45.2330 0.0000 175.4500 55 R 3.9408 7.6768 121.7180 59.3774 30.1491 176.3357 56 P 4.2358 0.0000 0.0000 65.6992 31.2703 178.3933 57 D 4.1230 8.0336 116.8154 57.2666 41.0299 178.2534 58 A 4.2491 8.2092 121.3001 55.5072 18.1212 179.5777 59 E 3.9597 7.8706 115.3145 59.6259 29.7569 178.7765 60 Y 3.9881 7.7462 119.1310 60.5355 38.8914 177.7995 61 W 4.2756 7.9084 120.1624 59.9926 28.8874 178.3239 62 N 4.6744 8.0734 115.2777 56.1994 38.1157 177.0154 63 S 4.4298 7.6440 111.7367 58.8982 64.4113 175.6370 64 Q 4.5282 7.7460 126.4984 54.3522 26.2819 176.3034 65 K 4.1495 7.9797 129.6666 60.0369 32.2692 177.8299 66 D 4.5771 8.3199 119.8529 56.6768 39.0313 178.2445 67 F 4.0223 8.3043 122.0199 60.4927 39.2413 176.7962 68 L 4.0942 8.7521 119.0825 58.3013 42.2695 178.5365 69 E 4.1003 8.5893 118.9785 59.2139 29.3019 178.5308 70 D 4.1610 7.9159 118.0297 57.6602 40.8174 178.8249 71 R 3.3259 7.3809 117.8984 58.7575 29.6076 178.8908 72 R 4.3484 7.5254 115.8517 57.6885 30.4953 177.4455 73 A 4.4530 7.8181 119.5692 51.8503 19.4411 178.4170 74 A 3.6950 6.9633 120.8064 54.5184 18.4117 180.0916 75 V 3.8060 7.7774 110.2280 64.3259 31.1091 177.6537 76 D 4.5814 7.7310 117.0496 56.6083 41.4266 178.8701 77 T 4.0116 8.3223 110.4265 64.4631 68.6701 173.8917 78 Y 4.6035 8.3989 120.7205 59.3319 40.2049 176.5981 79 C 4.2819 8.0757 116.2757 60.5104 41.8721 176.5246 80 R 4.0234 8.1640 118.9835 59.3824 29.6738 178.5986 81 H 4.0771 7.9591 116.8232 59.6055 29.9148 177.1118 82 N 4.3516 8.3463 118.1344 56.3870 38.2618 176.8249 83 Y 3.7122 8.2504 121.1863 60.4595 38.5580 178.4304 84 G 3.5763 8.1288 105.8657 47.6350 0.0000 175.6415 85 V 3.7969 7.5849 119.8918 65.4513 31.8221 177.7548 86 G 3.1271 8.2290 104.1947 44.8824 0.0000 175.0299 87 E 3.2990 7.5940 122.7983 59.2709 29.2647 178.8450 88 S 4.0478 7.8635 111.5007 60.8055 62.8021 174.9899 89 F 4.7529 7.2551 112.7846 56.0718 37.4383 175.2118 90 T 4.3880 6.4800 108.6263 63.1083 71.1380 175.8992 91 V 3.5468 7.4650 123.7668 64.9706 31.8574 177.2072 92 Q 4.4013 7.7548 115.5795 55.6005 28.7932 175.8133 93 R 4.1117 7.7291 119.8502 56.4276 30.5903 176.1318 94 R 5.1339 8.3495 123.1817 55.2238 34.4383 174.4814 95 V 4.5340 9.4974 124.0771 60.8696 34.7200 174.5234 96 E 4.9828 8.9282 127.5292 55.4048 30.0376 175.2242 97 P 4.7583 0.0000 0.0000 62.5369 32.6599 175.7043 98 K 4.4559 9.2621 125.2307 55.0746 33.6826 174.9435 99 V 4.9868 8.4079 128.0674 61.5296 33.2293 174.9123 100 T 4.8988 8.8255 116.8755 60.1115 72.5230 172.7192 101 V 5.1047 8.3128 123.0166 61.5711 34.4345 173.9965 102 Y 4.9514 8.0400 122.9869 55.2816 41.4869 171.7428 103 P 4.5872 0.0000 0.0000 62.2454 32.6807 175.7984 104 A 4.0544 9.1329 125.3731 52.9473 19.0526 178.4386 105 R 4.3289 8.8843 119.4648 57.2285 30.4819 176.8879 106 T 4.5975 7.4989 114.6355 62.2508 72.1695 173.2004 107 Q 4.5884 8.4806 123.7682 54.4914 31.7914 174.0444 108 T 4.3777 8.5568 112.0042 61.5354 70.9297 172.3640 *109 L 3.8724 8.9968 130.1979 55.5500 40.4385 174.3511 *110 Q 4.7836 8.2582 125.6790 52.3868 28.1886 170.7658 *111 H 4.8707 7.7007 115.4023 55.3864 35.8445 175.1762 112 H 4.9211 7.9268 114.9812 55.2233 30.8551 174.3979 113 N 4.8744 9.4306 118.2389 52.4161 42.4085 172.9325 114 L 4.5031 9.0342 129.3741 54.0888 43.2969 175.0043 115 L 4.2766 8.1315 127.5935 53.1654 43.6797 175.9278 116 V 4.4824 8.2814 123.4534 61.0482 34.3732 173.3336 117 C 5.1444 8.9691 127.8257 55.0377 43.2180 172.2202 118 S 5.0258 9.1406 123.1076 56.8698 63.9141 172.9294 119 V 4.4885 8.7987 128.4786 61.6487 32.8115 173.9568 120 N 5.2544 9.2428 126.0926 51.6605 42.1943 175.1057 121 G 4.1038 8.6502 108.4327 46.7646 0.0000 173.4669 122 F 5.2352 7.4059 113.9139 55.7115 41.1861 173.9335 123 Y 5.0257 8.7256 117.1715 56.3792 42.6863 172.4726 124 P 3.2768 0.0000 0.0000 61.4965 32.3151 176.4754 125 G 2.3615 7.7649 108.4676 47.9743 0.0000 174.0834 126 S 3.9476 7.5632 114.5207 58.6882 62.4321 172.6964 127 I 4.5924 7.6992 126.3344 59.8280 41.3091 173.2002 128 E 4.5404 9.0701 126.9995 54.4150 32.4925 174.2836 129 V 4.8056 8.4349 126.7413 61.1815 33.7899 174.7617 130 R 4.7407 9.0338 126.0258 54.3198 34.8371 174.1163 131 W 5.3574 8.5713 120.9241 55.4264 32.0821 175.3356 132 F 5.0373 9.6893 121.6719 56.1076 42.2507 174.3958 133 R 3.8666 8.9057 129.3305 54.8125 27.6588 175.4147 *134 N 5.0677 9.8492 127.6608 50.8147 37.0528 177.9767 *135 S 4.8582 7.3397 113.1477 57.7016 64.9445 180.2167 136 Q 4.4290 7.8740 122.0038 53.8364 30.1054 175.6847 137 E 3.9994 8.9279 127.3631 55.5926 29.8195 178.6298 138 E 4.3435 8.3051 125.3542 55.0864 27.7302 174.1879 139 K 4.1332 7.8802 120.1096 57.6281 32.8021 177.0739 140 A 4.6907 7.3905 121.6505 50.9032 21.4903 175.7966 141 G 3.8256 8.5352 105.1896 46.7517 0.0000 173.3554 142 V 4.7407 7.8570 118.8151 60.6795 33.9372 174.5408 143 V 4.5255 8.7938 127.9982 61.0951 34.3009 174.1690 144 S 5.4115 8.5857 121.0226 56.6981 65.0940 173.7799 145 T 4.0523 8.8931 114.4649 62.2739 69.3838 175.6334 146 G 3.8595 8.4185 111.3573 44.2316 0.0000 172.3633 147 L 4.3396 8.2618 120.7296 55.0501 42.8586 176.3458 148 I 4.6976 8.5172 126.3766 59.6447 40.5858 174.5097 149 Q 4.2746 8.7334 125.7222 55.1181 29.3408 175.7470 150 N 4.4065 8.4689 120.1329 53.3511 39.2793 176.6023 151 G 3.9082 8.1650 105.9494 45.2493 0.0000 173.1817 152 D 4.9918 7.3482 117.9920 52.8564 39.8029 175.9453 153 W 3.4350 8.3139 116.2151 58.5759 26.4001 173.9711 154 T 5.1033 7.5274 105.8742 60.1411 72.0761 172.5614 155 F 5.1676 8.9722 121.4563 55.8370 42.9776 174.0580 156 Q 5.1503 8.6431 116.8212 55.6188 32.3343 173.5337 157 T 4.8696 9.3087 114.8361 61.0176 71.6367 172.0465 158 L 5.2266 9.0312 128.1907 52.9393 45.0432 175.5106 159 V 4.7271 8.6796 123.7673 61.5536 33.6173 174.2550 160 M 4.9271 9.1875 128.8530 54.3577 34.0985 175.3212 161 L 4.7960 8.6799 126.2197 53.6978 45.1106 175.7032 162 E 4.4699 8.7920 125.7071 56.3403 30.5812 172.5257 163 T 4.6968 8.6987 114.3805 59.2769 73.3556 172.7547 164 V 4.3402 8.2701 119.9840 60.3370 33.7226 172.7355 165 P 4.3912 0.0000 0.0000 63.1045 31.4988 176.1354 166 R 4.6949 8.4420 121.8137 53.7330 33.3107 175.6624 167 S 4.2613 8.6861 118.3745 60.5424 63.2250 174.9204 168 G 4.0105 8.9247 112.9246 45.3139 0.0000 173.6111 169 E 4.1683 7.5714 118.5878 56.2857 29.9515 177.1064 170 V 4.5090 7.8031 121.2519 61.2359 33.2008 173.4234 171 Y 4.8093 9.0873 124.0729 58.0648 39.6762 174.6163 172 T 5.2169 9.5991 119.2549 62.1881 73.0639 171.9412 173 C 4.4799 9.1983 127.4060 55.1369 44.1145 171.7495 174 Q 5.1304 9.4438 128.7317 54.2945 31.1247 174.0565 175 V 4.7343 9.1443 126.7984 61.1583 34.3019 173.7056 176 E 4.8835 9.1908 128.1193 54.9627 31.6960 174.6262 177 H 5.0259 8.5079 123.0812 53.8532 33.0994 172.3158 178 P 4.1968 0.0000 0.0000 65.4639 31.2830 177.4100 179 S 4.4022 8.1455 112.8003 59.5699 63.6241 173.9012 180 V 4.7187 7.6855 114.8767 59.4444 34.1620 176.0044 181 T 4.0375 8.6246 114.0786 63.6968 69.1248 174.6503 182 S 4.7379 7.6063 114.5408 54.8195 65.3583 171.3324 183 P 4.5577 0.0000 0.0000 63.2195 31.8411 175.4513 184 L 4.6346 8.7762 122.6051 54.2335 43.2633 175.8684 185 T 5.1522 8.3444 112.1855 59.9549 72.1458 173.3393 186 V 4.4328 8.5578 123.0952 61.4703 34.5630 174.4662 187 E 5.1437 9.0268 127.1325 55.2515 31.4801 175.6455 188 W 4.6563 9.1565 134.5335 57.1641 32.4905 174.4498 189 R 3.3367 8.6569 127.5024 57.4267 25.1040 172.7979 190 A 4.1834 8.0527 125.3302 52.3954 18.7307 177.2872 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 1 G 8.35 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.03 4.34 0.00 2.72 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 3 T 8.98 4.49 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 R 7.80 4.06 0.00 1.99 1.92 0.00 3.20 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 5 P 0.00 4.09 0.00 1.88 1.81 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 6 R 7.78 4.36 0.00 1.54 1.58 0.00 3.19 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 7 F 8.39 4.82 0.00 3.11 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 8 L 8.97 4.81 0.00 1.67 1.36 0.93 0.74 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 9 Q 8.82 5.40 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 10 Q 9.59 4.83 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 11 D 8.72 5.23 0.00 2.57 2.40 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 0.00 12 K 9.14 4.53 0.00 1.54 1.66 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.36 7.81 13 Y 8.86 4.90 0.00 3.02 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 14 E 9.49 4.75 0.00 1.90 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 2.28 2.26 0.00 15 C 8.80 5.28 0.00 2.87 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 16 H 8.94 4.70 0.00 3.16 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.52 5.29 0.00 2.87 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 18 F 9.05 4.61 0.00 3.02 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 19 N 10.08 4.30 0.00 3.01 2.84 0.00 0.00 7.05 7.59 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 20 G 7.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.16 4.48 4.18 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 0.27 0.00 0.00 22 E 8.18 4.03 0.00 2.18 2.22 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 2.35 2.29 0.00 23 R 8.06 4.69 0.00 1.84 1.80 0.00 2.81 0.00 0.00 2.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 24 V 8.60 5.05 2.12 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 0.72 0.00 0.00 1.11 0.00 0.00 25 R 8.97 4.62 0.00 1.92 1.85 0.00 3.34 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 26 F 9.28 5.32 0.00 3.29 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 27 L 8.30 4.90 0.00 1.61 1.29 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.97 4.92 0.00 3.25 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.08 4.89 0.00 1.64 1.74 0.00 3.24 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.45 0.00 30 D 8.89 5.40 0.00 2.70 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 31 I 9.30 5.01 1.89 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 1.12 0.61 0.92 0.00 0.00 32 Y 8.98 4.81 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.83 4.01 0.00 2.43 2.33 0.00 0.00 6.78 7.57 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 34 Q 9.22 4.49 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 35 E 8.30 4.61 0.00 2.13 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 2.25 2.23 0.00 36 E 8.87 4.46 0.00 1.93 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 2.31 2.42 0.00 37 D 9.03 5.04 0.00 2.87 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 38 L 7.74 5.17 0.00 1.85 1.58 1.32 1.00 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 39 R 8.93 5.12 0.00 2.05 1.67 0.00 3.01 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 40 F 8.97 4.53 0.00 1.51 2.43 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 41 D 7.74 4.89 0.00 2.57 2.26 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 42 S 9.23 4.44 0.00 4.16 4.56 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 43 D 8.51 4.33 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.78 1.90 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 0.66 0.00 0.00 0.80 0.00 0.00 45 G 8.54 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 0.00 0.00 0.00 46 E 6.95 5.04 0.00 2.47 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 2.19 2.34 0.00 47 Y 9.60 4.62 0.00 3.24 3.19 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 48 R 9.04 4.84 0.00 1.73 1.79 0.00 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0.00 0.00 0.00 0.00 0.00 115 L 8.13 4.28 0.00 0.88 0.76 -0.36 -0.35 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 0.00 116 V 8.28 4.48 1.05 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 0.66 0.00 0.00 0.73 0.00 0.00 117 C 8.97 5.14 0.00 2.51 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 0.00 118 S 9.14 5.03 0.00 4.16 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 0.00 119 V 8.80 4.49 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 0.77 0.00 0.00 0.85 0.00 0.00 120 N 9.24 5.25 0.00 2.72 2.73 0.00 0.00 6.57 8.32 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 0.00 121 G 8.65 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 0.00 0.00 0.00 122 F 7.41 5.24 0.00 3.07 3.19 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 0.00 123 Y 8.73 5.03 0.00 3.40 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 0.00 124 P 0.00 3.28 0.00 1.74 1.61 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 125 G 7.76 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 0.00 0.00 0.00 126 S 7.56 3.95 0.00 3.72 3.67 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 0.00 127 I 7.70 4.59 1.47 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.63 0.71 0.00 0.00 128 E 9.07 4.54 0.00 2.01 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 129 V 8.43 4.81 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 0.64 0.00 0.00 0.78 0.00 0.00 130 R 9.03 4.74 0.00 1.87 1.62 0.00 3.43 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 131 W 8.57 5.36 0.00 3.23 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 0.00 132 F 9.69 5.04 0.00 3.15 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 0.00 133 R 8.91 3.87 0.00 1.68 1.76 0.00 3.14 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.00 *134 N 9.85 5.07 0.00 2.90 3.11 0.00 0.00 6.65 7.52 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 *135 S 7.34 4.86 0.00 3.56 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 0.00 136 Q 7.87 4.43 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 137 E 8.93 4.00 0.00 1.16 1.65 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 1.93 1.48 0.00 138 E 8.31 4.34 0.00 1.94 1.85 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 2.31 1.90 0.00 139 K 7.88 4.13 0.00 1.70 1.86 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.63 1.59 7.81 140 A 7.39 4.69 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 0.00 141 G 8.54 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 0.00 142 V 7.86 4.74 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 0.96 0.00 0.00 1.07 0.00 0.00 143 V 8.79 4.53 2.06 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 0.90 0.00 0.00 0.90 0.00 0.00 144 S 8.59 5.41 0.00 3.91 3.69 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 0.00 145 T 8.89 4.05 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 1.24 0.00 0.00 146 G 8.42 3.86 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 0.00 0.00 0.00 147 L 8.26 4.34 0.00 1.67 1.63 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.52 4.70 2.14 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 1.26 1.07 0.91 0.00 0.00 149 Q 8.73 4.27 0.00 1.81 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 1.43 2.37 0.00 150 N 8.47 4.41 0.00 2.89 2.79 0.00 0.00 7.14 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 0.00 151 G 8.17 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 0.00 152 D 7.35 4.99 0.00 2.80 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 0.00 153 W 8.31 3.44 0.00 3.33 3.15 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 0.00 154 T 7.53 5.10 4.13 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 1.27 0.00 0.00 155 F 8.97 5.17 0.00 1.51 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 0.00 156 Q 8.64 5.15 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 157 T 9.31 4.87 4.48 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 1.38 0.00 0.00 158 L 9.03 5.23 0.00 1.70 1.56 1.00 0.60 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 0.00 159 V 8.68 4.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.94 0.00 0.00 160 M 9.19 4.93 0.00 1.91 1.92 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 2.48 2.46 0.00 161 L 8.68 4.80 0.00 0.27 0.13 0.71 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.79 4.47 0.00 1.78 1.73 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 2.25 2.13 0.00 163 T 8.70 4.70 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 0.85 0.00 0.00 164 V 8.27 4.34 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 0.89 0.00 0.00 0.97 0.00 0.00 165 P 0.00 4.39 0.00 2.14 2.17 0.00 3.84 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 2.11 2.38 0.00 166 R 8.44 4.69 0.00 2.15 1.82 0.00 3.14 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 167 S 8.69 4.26 0.00 3.86 3.82 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 0.00 168 G 8.92 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 0.00 0.00 0.00 169 E 7.57 4.17 0.00 2.29 1.83 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 2.31 2.39 0.00 170 V 7.80 4.51 2.12 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 1.15 0.00 0.00 0.93 0.00 0.00 171 Y 9.09 4.81 0.00 3.39 3.26 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 0.00 172 T 9.60 5.22 4.44 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 0.00 0.00 0.00 1.25 0.00 0.00 173 C 9.20 4.48 0.00 1.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 9.44 5.13 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 175 V 9.14 4.73 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.78 0.00 0.00 176 E 9.19 4.88 0.00 1.81 1.79 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 2.21 2.35 0.00 177 H 8.51 5.03 0.00 2.97 3.00 0.00 5.69 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.20 0.00 2.15 2.10 0.00 3.20 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 179 S 8.15 4.40 0.00 4.13 4.34 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 0.00 180 V 7.69 4.72 2.21 0.00 0.00 0.00 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 1.04 0.00 0.00 181 T 8.62 4.04 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 0.00 182 S 7.61 4.74 0.00 3.78 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 0.00 183 P 0.00 4.56 0.00 2.06 2.16 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 184 L 8.78 4.63 0.00 1.56 1.58 0.90 0.82 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 0.00 185 T 8.34 5.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 186 V 8.56 4.43 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 1.16 0.00 0.00 1.00 0.00 0.00 187 E 9.03 5.14 0.00 1.99 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 2.36 2.36 0.00 188 W 9.16 4.66 0.00 3.41 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 0.00 189 R 8.66 3.34 0.00 2.05 1.86 0.00 3.47 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 190 A 8.05 4.18 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 * Residues marked with a * may have inaccurate shift predictions.