NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8079 8.3549 109.7376 45.2390 0.0000 174.1916 *2 F 4.6840 7.7336 117.4646 56.7616 40.0489 174.9494 3 E 4.2663 8.7809 123.8564 56.0519 30.1589 177.1280 4 K 4.4108 8.2101 120.9158 54.7023 31.1550 175.7810 5 Q 4.0916 9.6475 126.6015 55.5131 29.3545 175.1305 6 F 4.7183 8.7907 128.5781 58.3796 40.2910 174.0427 7 N 5.0686 8.1402 122.0823 51.8628 43.0862 172.8552 8 H 5.2687 8.5458 120.0704 54.8598 33.5260 172.4854 9 R 4.5869 8.5578 121.5039 55.1013 34.9882 173.8962 10 T 4.9160 8.3324 118.4652 61.9247 70.6606 173.6879 11 L 4.7157 8.7114 128.0856 53.0875 44.7408 175.2180 12 E 4.6666 8.8542 126.3861 56.4785 30.4303 176.1987 13 T 4.7586 8.3038 112.4471 59.7359 72.1657 174.8623 14 S 4.2600 8.6360 115.6385 60.1321 63.1771 174.7572 15 L 4.3672 7.3505 120.5022 54.3994 41.9102 175.6778 16 G 3.9867 7.9708 106.5585 43.1161 0.0000 171.6188 17 P 4.6735 0.0000 0.0000 62.7775 31.9851 175.8269 18 V 4.3601 8.9473 123.9004 61.1004 34.3415 174.0374 19 E 4.6666 9.3027 127.8012 55.4427 31.0380 175.2365 20 I 4.9790 8.6871 127.2956 59.7375 39.2857 174.6552 21 E 4.8002 8.6249 124.5673 54.5230 33.5740 175.4710 22 G 4.4004 6.9828 108.8790 43.9849 0.0000 169.5577 23 P 4.9990 0.0000 0.0000 62.7677 31.8463 176.3801 24 V 4.4472 8.7574 124.4555 62.2546 32.7978 175.7689 25 T 4.2502 8.4303 116.5331 61.3996 70.2657 175.5652 26 S 4.0919 8.8761 119.0580 62.0102 62.6221 176.9490 27 Q 3.9436 7.9702 118.6931 59.2529 28.8424 178.8235 28 I 3.6550 7.5240 120.0582 64.2102 37.1032 178.3532 29 L 4.0729 8.3600 120.0612 57.9304 41.2666 179.3714 30 A 4.1616 7.8536 119.2570 54.2971 18.3997 178.8128 31 T 4.1191 7.3340 106.7787 62.7868 69.5640 174.2998 32 Y 4.9802 7.1451 119.2670 57.0580 40.2884 174.4010 33 K 4.5673 8.8912 120.1741 54.9575 35.7534 175.4385 34 L 4.7656 8.4517 126.8093 54.0164 42.9364 176.2034 35 D 4.5125 8.8229 123.7381 53.6854 41.5621 175.3023 36 P 4.2151 0.0000 0.0000 65.9672 31.0797 177.6852 37 G 3.7468 7.9249 106.6757 47.6349 0.0000 173.6601 38 L 4.6476 8.1676 121.6033 54.5872 40.9877 179.1099 39 T 4.7938 7.7669 114.5626 60.9764 68.3581 173.0247 40 A 4.4837 7.9901 124.2198 53.5753 21.3543 178.0466 41 F 4.2645 8.3612 112.7814 60.0870 39.1860 175.6129 42 R 4.5841 7.5666 118.0914 53.8507 32.9719 173.1890 43 Q 4.2106 8.4639 121.2468 55.0583 30.7713 174.3073 44 P 4.3916 0.0000 0.0000 66.1214 31.5244 178.5327 45 A 4.0178 8.1267 118.5423 55.3315 18.2146 179.1815 46 E 4.1565 7.9738 116.1055 59.0641 29.9349 178.7625 47 Q 3.9625 8.9061 120.6926 59.2376 29.1341 177.6067 48 H 4.0935 8.5710 119.7723 59.3028 29.9091 176.8397 49 E 3.8308 7.8688 119.4408 59.1382 29.4180 178.6706 50 A 3.9741 7.9951 120.9011 55.0810 18.4497 179.6249 51 L 3.8156 7.9353 117.6095 57.8793 41.4188 179.9498 52 V 3.5881 7.4292 117.2641 65.8143 31.7681 177.7293 53 E 4.1010 7.9898 118.1314 59.3422 29.3418 179.3170 54 I 3.7029 7.8104 119.6936 64.2958 36.9765 178.3694 55 A 4.0687 7.9523 120.0007 54.5068 18.2216 178.8382 56 A 4.1692 7.5106 117.5996 52.9564 19.5693 178.0425 57 L 4.1163 7.2871 118.2169 54.3470 42.4032 177.7325 58 E 3.9199 8.9457 123.2805 58.8099 29.5242 177.5218 59 E 4.3328 7.8279 113.2425 55.9051 30.7383 176.2203 60 G 3.8320 7.4484 107.2989 46.7074 0.0000 173.6642 61 R 4.8347 8.9050 120.3927 54.5664 35.1833 174.0814 62 I 4.9781 8.5848 123.9837 59.6417 40.3646 174.2275 63 I 5.0259 8.5675 128.3721 59.4166 39.6453 174.9544 64 I 5.0555 8.7120 119.4475 59.0258 41.1879 173.9421 65 A 5.1043 8.7920 125.5494 50.3013 21.3893 175.8178 66 R 4.7088 8.8114 122.3353 54.7218 34.3270 173.8441 67 Q 4.6858 8.8978 125.3815 53.7800 30.9669 176.8455 68 G 3.9713 8.8112 117.5454 46.9597 0.0000 173.2120 69 N 4.7936 8.9071 123.6727 52.9350 39.0719 173.1081 70 D 5.2542 7.7354 119.9161 52.7375 43.0054 175.6207 71 I 4.4695 8.8130 126.3236 60.7467 38.1508 176.3992 72 I 4.3312 8.4764 120.2284 60.5675 39.1760 175.1442 73 G 4.3585 7.6135 108.6219 46.2705 0.0000 171.6569 74 Y 5.4031 8.0478 118.0998 56.2460 42.0100 173.4964 75 V 5.0147 8.9706 119.2740 60.3210 35.3533 174.1203 76 T 5.0052 8.3480 112.6915 60.0009 72.2461 172.8266 77 F 5.4211 8.6762 121.4022 55.9954 43.3653 173.7619 78 L 4.5225 8.7260 121.9928 54.7164 44.0853 173.7817 79 Y 4.8447 8.6844 117.7889 57.5305 38.4174 175.2074 80 P 4.7162 0.0000 0.0000 61.9214 32.2906 175.9083 81 D 4.4747 8.9328 120.9559 54.2178 41.3735 175.5816 82 P 4.3483 0.0000 0.0000 64.1838 31.5014 176.1816 83 Y 4.6402 8.6248 116.4803 57.4667 38.3700 174.8450 84 E 4.9099 8.1217 117.7129 54.6234 34.1812 177.2454 85 T 3.5726 8.3624 115.9466 66.7378 68.3662 176.4064 86 W 4.6845 7.9256 117.7298 57.4765 28.9660 176.5619 87 S 4.6623 7.6224 113.1585 57.8479 63.5391 173.8740 88 E 3.9840 7.6718 123.5398 57.8143 29.6980 176.3723 89 G 4.0326 8.7003 114.2817 44.1851 0.0000 172.6681 90 N 4.0183 7.9217 115.6256 53.8909 36.1792 174.6324 91 N 4.3110 7.8372 116.4366 53.1902 39.5325 173.0880 92 P 4.2307 0.0000 0.0000 64.2608 31.8543 176.1837 93 Y 4.5553 8.5401 116.6736 57.7046 38.4363 174.3377 94 I 5.1061 7.6599 120.8163 59.8242 38.8382 175.1927 95 L 5.0189 9.2438 127.3516 52.9424 45.2378 174.9475 96 E 5.0700 9.1639 121.6608 54.3565 32.4616 175.0409 97 L 4.2125 8.9302 129.8455 54.5972 40.9759 176.5663 98 G 3.8498 8.3951 113.0688 48.5749 0.0000 171.3548 99 A 4.4090 7.5081 120.4382 50.4398 23.1258 175.0532 100 I 4.7476 8.1272 119.5201 59.2751 40.4878 174.0728 101 E 4.7794 8.4369 129.5585 54.5709 33.4571 174.2211 102 V 4.7216 8.1179 123.5828 60.9933 34.9290 174.3248 103 A 4.1273 9.0729 130.8529 52.0475 18.7251 178.0101 104 A 4.0537 9.0596 125.4809 55.4869 18.4418 180.3183 105 R 3.9839 7.9752 110.1971 58.6775 29.7865 176.8002 106 F 4.5878 8.3549 117.2007 57.5410 39.1210 175.6358 107 R 4.3824 7.4632 118.7675 56.2938 31.1041 176.7200 108 G 3.8513 8.7944 108.2597 46.6891 0.0000 173.9360 109 Q 4.4615 7.7800 115.2242 54.9154 29.8806 176.4134 110 Q 3.7153 8.2253 115.3648 57.1745 26.4646 175.5582 111 I 3.7806 7.3483 122.7309 64.2004 36.9771 178.4080 112 G 3.5592 7.9750 106.1082 47.8151 0.0000 175.4893 113 K 3.8321 7.9119 120.9456 59.1358 32.0613 179.4972 114 K 4.0128 7.9426 118.5731 58.9776 31.6726 179.0353 115 L 3.8914 8.1165 120.3904 58.2845 42.1863 178.9469 116 L 4.1918 7.9495 118.5921 57.6828 41.3888 178.7840 117 E 3.9110 8.4043 118.3247 59.6670 29.6213 178.9948 118 V 3.7315 7.9395 116.8205 65.6289 31.5649 178.5190 119 S 4.2399 7.4326 113.2570 58.7143 62.7671 175.2731 *121 L 4.1904 7.9330 123.5252 54.5574 43.3719 176.7904 122 D 4.6473 8.1513 117.3694 52.4649 40.9371 173.8176 123 P 4.2560 0.0000 0.0000 65.6379 31.3129 176.9942 124 A 3.2560 8.0328 124.8390 51.9027 18.4487 178.6318 *126 E 4.2238 8.2431 119.2574 57.7371 31.5171 177.1423 127 H 4.6375 8.3512 115.3612 55.4955 29.2287 174.0803 128 Y 4.9425 7.5343 117.1009 56.0274 42.2490 174.1527 129 L 4.6443 9.1197 125.4982 54.0525 43.8149 175.2501 130 I 5.0140 8.6822 128.9210 59.6772 39.0867 175.0824 131 L 4.8500 8.8060 128.1239 54.4579 43.4050 175.2833 132 T 4.9388 7.9838 112.9253 60.8038 71.3047 172.0634 133 T 4.5939 8.3798 116.0158 59.8039 71.1450 172.8193 134 E 4.7425 8.7753 125.5852 54.4933 32.8839 174.4972 135 Y 4.4444 8.0111 120.9605 55.7760 41.1087 176.3833 136 Y 2.0000 7.9536 122.2365 57.5918 38.2087 177.1651 137 W 3.8410 5.7882 116.0124 57.2687 28.7047 176.2890 138 H 4.6877 7.1173 115.8247 56.5296 29.2081 175.8464 139 W 4.0245 6.8444 120.4213 57.2898 29.5820 176.4966 *140 D 4.6930 8.4440 116.4253 53.0971 41.3929 176.1934 141 L 4.2434 8.1993 120.2556 57.6722 42.1637 178.8135 142 K 3.9023 8.1935 116.8825 59.7618 32.3416 178.4205 143 G 4.1160 9.2534 106.9182 48.2407 0.0000 175.1599 144 S 4.1097 8.2008 114.1782 59.0234 63.1271 175.4636 145 G 3.9025 8.4889 107.6174 45.4701 0.0000 173.1264 146 L 4.5568 7.5405 119.1861 53.2652 43.3364 176.9548 147 S 4.6381 8.2295 115.1637 57.4693 65.5226 175.1838 148 V 3.8122 8.4723 121.7234 66.5700 31.0974 178.3234 149 W 4.0455 8.2127 117.6328 59.4804 29.0552 178.3127 150 D 4.4092 8.5374 119.3156 57.3359 40.0010 178.0966 151 Y 3.6237 8.0950 119.5074 60.4180 38.8567 177.5861 152 R 3.5057 7.6149 118.3513 59.2646 30.4860 178.1437 153 K 4.1805 8.2369 118.2077 59.5792 31.8376 180.1964 154 I 3.6091 7.0939 115.4338 61.8309 36.7646 176.7135 *156 E 4.3488 8.0580 122.1640 56.1954 31.4561 176.8126 157 K 4.6228 7.5083 120.9484 56.2481 29.2961 176.0723 *160 N 5.1992 8.0961 119.4311 53.1402 40.8808 176.5098 161 H 4.0691 8.1557 116.6108 58.8877 29.9355 176.0594 162 G 3.7761 8.0728 105.5714 45.8592 0.0000 174.2390 163 G 3.9561 8.3390 108.8799 44.9074 0.0000 173.6995 164 L 4.4759 7.6325 120.4569 54.2575 42.5868 176.0527 165 V 4.8534 8.3404 115.8224 58.9658 35.4688 175.3819 166 F 4.5231 8.8939 125.2522 58.7011 39.9516 174.3303 167 F 4.7970 8.3763 124.1705 54.8382 41.9330 173.5371 168 P 4.3699 0.0000 0.0000 63.1526 31.9438 175.4709 169 T 4.7767 8.0423 113.6083 61.4579 70.0557 172.8231 170 D 4.8493 8.5136 124.9567 53.0181 39.8482 176.4590 171 D 4.3397 8.0343 120.0954 54.5423 41.9782 174.8463 172 P 4.3346 0.0000 0.0000 65.8425 31.2221 178.2361 173 E 4.1372 8.3258 116.0622 59.5509 29.7148 178.3891 174 I 4.0286 8.3870 119.4788 64.4248 37.0656 177.9595 175 A 4.3985 8.5226 119.6650 53.6930 18.3779 179.1761 176 S 4.4084 7.8858 112.2775 60.0563 63.6571 174.0571 177 H 4.8469 7.8331 120.9750 54.0492 32.8633 172.3635 178 P 4.4609 0.0000 0.0000 65.1933 31.4869 177.5638 179 A 3.4528 7.8629 120.3679 54.5115 18.5053 177.5941 180 N 4.5765 7.4280 112.0889 54.0744 39.3754 174.5040 181 C 4.7067 8.6280 113.8029 57.5838 33.5205 172.7463 182 L 5.1336 8.2169 121.5878 52.6351 44.9042 174.5476 *184 A 4.5273 8.1881 121.8361 51.7126 20.4234 175.5012 185 R 4.8435 8.7931 121.0177 54.7222 32.3615 175.0914 186 I 4.3543 8.4158 128.4901 59.6261 37.8364 176.1500 187 G 3.9290 8.5819 115.6834 46.0066 0.0000 173.8785 188 K 4.1545 9.5359 121.3783 58.9029 32.7892 177.6072 189 H 4.6313 8.1398 116.0113 55.2270 28.9597 174.5166 190 V 3.5674 7.4739 120.5384 62.2800 31.9480 175.9822 191 A 4.2403 8.1720 129.4937 51.1236 19.2504 176.4103 192 P 4.3123 0.0000 0.0000 65.7555 31.2919 179.1101 193 E 3.9831 8.1300 117.0518 59.4447 29.4514 179.3816 194 V 3.7114 7.6925 118.0650 65.8787 31.4963 178.3306 195 V 3.6859 7.8073 117.4799 65.8993 31.5112 177.6893 196 A 4.0155 8.4218 120.9630 55.3556 18.2037 179.1133 197 H 4.1108 8.4258 116.7848 59.3825 29.9860 177.2246 198 F 4.3839 8.4361 122.4722 61.6299 39.2062 176.8232 199 D 4.0563 8.4887 118.4219 57.2066 40.3402 178.6707 200 A 3.9502 7.8012 120.5308 54.8329 18.3725 179.5004 201 L 4.0161 7.6412 117.2702 57.8998 42.1368 179.5008 202 R 4.5256 8.0231 115.7398 57.1670 30.0870 175.4158 203 L 5.1976 7.6048 119.2135 52.8654 41.9735 175.7126 204 R 3.8001 9.0358 123.3586 57.1641 30.8390 179.1926 205 R 3.6046 8.1273 114.3967 58.9117 29.1018 177.7817 206 R 4.0568 7.6593 114.4313 57.1126 29.7337 177.4999 207 F 4.1214 7.6269 120.9866 61.1668 39.3014 175.9887 *209 Y 4.3696 7.7897 123.0497 56.9028 37.3708 180.1645 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 8.35 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.68 0.00 3.22 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 3 E 8.78 4.27 0.00 2.02 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 2.37 2.31 0.00 4 K 8.21 4.41 0.00 1.77 1.80 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 5 Q 9.65 4.09 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 6 F 8.79 4.72 0.00 3.09 2.96 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 7 N 8.14 5.07 0.00 2.45 2.49 0.00 0.00 6.07 8.07 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 8 H 8.55 5.27 0.00 3.09 3.15 0.00 5.71 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 9 R 8.56 4.59 0.00 1.59 1.64 0.00 3.27 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 10 T 8.33 4.92 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 1.22 0.00 0.00 11 L 8.71 4.72 0.00 1.67 1.45 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.85 4.67 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 2.32 2.31 0.00 13 T 8.30 4.76 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 1.35 0.00 0.00 14 S 8.64 4.26 0.00 3.96 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 15 L 7.35 4.37 0.00 1.28 1.44 -0.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.97 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 17 P 0.00 4.67 0.00 2.11 2.09 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 18 V 8.95 4.36 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 0.87 0.00 0.00 0.97 0.00 0.00 19 E 9.30 4.67 0.00 1.87 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 2.42 2.45 0.00 20 I 8.69 4.98 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.89 0.00 0.00 21 E 8.62 4.80 0.00 1.71 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 2.24 2.41 0.00 22 G 6.98 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 0.00 0.00 0.00 0.00 23 P 0.00 5.00 0.00 2.13 2.09 0.00 3.83 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 24 V 8.76 4.45 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 0.98 0.00 0.00 1.16 0.00 0.00 25 T 8.43 4.25 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 1.22 0.00 0.00 26 S 8.88 4.09 0.00 3.86 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 27 Q 7.97 3.94 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 28 I 7.52 3.65 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.77 0.00 0.00 29 L 8.36 4.07 0.00 1.89 1.74 0.93 1.08 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 30 A 7.85 4.16 1.30 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 0.00 0.00 31 T 7.33 4.12 4.09 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 1.10 0.00 0.00 32 Y 7.15 4.98 0.00 3.03 2.96 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 33 K 8.89 4.57 0.00 1.88 1.60 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.27 7.81 34 L 8.45 4.77 0.00 1.56 1.62 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 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1.65 0.00 43 Q 8.46 4.21 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 44 P 0.00 4.39 0.00 2.23 2.16 0.00 3.70 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 2.16 2.24 0.00 45 A 8.13 4.02 1.34 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 0.00 0.00 46 E 7.97 4.16 0.00 2.23 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 2.39 2.43 0.00 47 Q 8.91 3.96 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.23 0.00 48 H 8.57 4.09 0.00 3.28 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.87 3.83 0.00 2.25 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 0.00 2.27 2.29 0.00 50 A 8.00 3.97 1.34 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 0.00 0.00 51 L 7.94 3.82 0.00 1.78 1.61 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0.00 0.00 0.00 6.64 6.10 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 110 Q 8.23 3.72 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 111 I 7.35 3.78 1.84 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 1.43 0.56 0.81 0.00 0.00 112 G 7.97 3.56 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 0.00 0.00 0.00 113 K 7.91 3.83 0.00 1.81 1.50 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 114 K 7.94 4.01 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.53 7.81 115 L 8.12 3.89 0.00 1.84 1.72 0.87 0.97 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 0.00 116 L 7.95 4.19 0.00 1.92 1.74 0.92 0.64 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 0.00 117 E 8.40 3.91 0.00 2.06 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 0.00 2.33 2.39 0.00 118 V 7.94 3.73 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 0.80 0.00 0.00 0.84 0.00 0.00 119 S 7.43 4.24 0.00 4.05 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 *121 L 7.93 4.19 0.00 1.69 1.72 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.15 4.65 0.00 2.56 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 0.00 123 P 0.00 4.26 0.00 2.18 2.17 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 124 A 8.03 3.26 1.02 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 *126 E 8.24 4.22 0.00 2.16 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 2.34 2.29 0.00 127 H 8.35 4.64 0.00 2.90 3.25 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.53 4.94 0.00 2.89 2.83 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 0.00 129 L 9.12 4.64 0.00 1.63 1.49 0.60 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.68 5.01 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 1.08 0.00 0.00 131 L 8.81 4.85 0.00 1.51 1.48 0.65 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.98 4.94 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 133 T 8.38 4.59 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 0.87 0.00 0.00 134 E 8.78 4.74 0.00 1.95 2.19 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 2.25 2.53 0.00 135 Y 8.01 4.44 0.00 1.97 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 0.00 136 Y 7.95 2.00 0.00 1.63 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 0.00 0.00 0.00 137 W 5.79 3.84 0.00 2.99 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 0.00 138 H 7.12 4.69 0.00 3.18 3.28 0.00 5.68 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 W 6.84 4.02 0.00 2.92 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 0.00 0.00 0.00 *140 D 8.44 4.69 0.00 2.63 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 0.00 141 L 8.20 4.24 0.00 1.75 1.81 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.19 3.90 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 143 G 9.25 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 0.00 0.00 0.00 144 S 8.20 4.11 0.00 4.05 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 0.00 145 G 8.49 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 0.00 0.00 0.00 146 L 7.54 4.56 0.00 1.84 1.70 0.83 0.64 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 0.00 147 S 8.23 4.64 0.00 4.18 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.47 3.81 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 0.75 0.00 0.00 1.09 0.00 0.00 149 W 8.21 4.05 0.00 3.59 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 0.00 150 D 8.54 4.41 0.00 2.90 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 0.00 151 Y 8.10 3.62 0.00 2.99 2.80 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 0.00 152 R 7.61 3.51 0.00 1.74 2.04 0.00 3.46 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 153 K 8.24 4.18 0.00 2.00 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.95 7.81 154 I 7.09 3.61 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.36 0.66 0.00 0.00 *156 E 8.06 4.35 0.00 2.16 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 0.00 2.24 2.41 0.00 157 K 7.51 4.62 0.00 2.01 1.66 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 *160 N 8.10 5.20 0.00 3.05 2.89 0.00 0.00 7.25 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 H 8.16 4.07 0.00 3.15 3.29 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.07 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 0.00 0.00 0.00 163 G 8.34 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 0.00 0.00 0.00 164 L 7.63 4.48 0.00 1.81 1.65 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.34 4.85 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 0.66 0.00 0.00 0.92 0.00 0.00 166 F 8.89 4.52 0.00 3.17 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 0.00 167 F 8.38 4.80 0.00 2.87 2.87 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 0.00 168 P 0.00 4.37 0.00 2.12 2.13 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 2.15 2.33 0.00 169 T 8.04 4.78 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 1.33 0.00 0.00 170 D 8.51 4.85 0.00 2.79 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 0.00 171 D 8.03 4.34 0.00 2.95 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 0.00 172 P 0.00 4.33 0.00 2.27 2.17 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 173 E 8.33 4.14 0.00 2.14 2.46 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 2.51 2.59 0.00 174 I 8.39 4.03 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.28 0.96 0.00 0.00 175 A 8.52 4.40 1.44 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 0.00 0.00 0.00 176 S 7.89 4.41 0.00 4.23 4.31 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 0.00 177 H 7.83 4.85 0.00 3.53 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.75 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 4.46 0.00 2.39 2.27 0.00 3.26 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 2.05 2.13 0.00 179 A 7.86 3.45 0.56 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 0.00 0.00 180 N 7.43 4.58 0.00 2.81 2.58 0.00 0.00 6.83 8.47 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 0.00 181 C 8.63 4.71 0.00 3.10 3.34 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 0.00 182 L 8.22 5.13 0.00 1.58 1.53 0.20 1.28 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 *184 A 8.19 4.53 0.80 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 0.00 185 R 8.79 4.84 0.00 1.84 1.78 0.00 3.17 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 186 I 8.42 4.35 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.88 0.00 0.00 187 G 8.58 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 0.00 188 K 9.54 4.15 0.00 1.71 1.88 0.00 1.50 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.04 7.81 189 H 8.14 4.63 0.00 2.69 3.04 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.47 3.57 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 0.68 0.00 0.00 1.00 0.00 0.00 191 A 8.17 4.24 1.27 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 0.00 0.00 192 P 0.00 4.31 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 193 E 8.13 3.98 0.00 2.07 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 2.42 2.45 0.00 194 V 7.69 3.71 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 1.10 0.00 0.00 0.97 0.00 0.00 195 V 7.81 3.69 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 1.21 0.00 0.00 1.00 0.00 0.00 196 A 8.42 4.02 1.41 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 0.00 0.00 0.00 197 H 8.43 4.11 0.00 3.44 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.44 4.38 0.00 3.13 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 0.00 199 D 8.49 4.06 0.00 2.87 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 0.00 200 A 7.80 3.95 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 0.00 201 L 7.64 4.02 0.00 1.97 1.83 1.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.02 4.53 0.00 2.06 2.01 0.00 2.68 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 203 L 7.60 5.20 0.00 1.64 1.54 0.91 0.78 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 0.00 204 R 9.04 3.80 0.00 1.45 1.04 0.00 3.10 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 1.55 1.46 0.00 205 R 8.13 3.60 0.00 2.08 2.09 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 206 R 7.66 4.06 0.00 1.69 1.96 0.00 3.21 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 207 F 7.63 4.12 0.00 3.05 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 *209 Y 7.79 4.37 0.00 2.36 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.