NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6947 8.4201 118.1389 53.1299 40.5557 173.8372 0 A 3.8647 8.5804 120.7407 53.8119 18.6363 175.2097 2 V 3.3359 7.9813 112.8392 63.6123 33.1325 173.4385 3 Q 4.1114 8.1856 118.6586 58.3197 27.5873 178.4221 4 A 3.9569 8.0800 122.6452 54.8318 17.9392 178.3913 5 Q 5.3147 8.0309 115.5584 55.9810 28.5245 177.6436 6 T 3.8946 7.4257 118.5431 65.7059 68.9541 176.6173 7 R 3.6067 7.9410 120.7708 59.7057 30.1220 178.0266 8 D 4.3767 7.6783 117.4181 57.8584 40.8811 179.1803 9 Q 4.1101 7.5428 117.8849 58.8934 28.5892 179.0254 10 I 3.8068 7.3876 119.9561 64.1920 37.1824 178.5954 11 V 3.3237 8.0754 119.0661 65.8536 31.3996 177.5694 12 A 3.8652 9.2109 120.6938 55.1419 17.8160 178.9862 13 A 3.9413 7.8625 118.2131 55.5624 18.3781 179.6242 14 A 3.4836 8.0883 119.0316 55.1433 18.2940 178.9745 15 D 4.1828 7.9609 116.6106 57.7419 41.1349 178.5700 16 E 4.0547 7.6965 117.9799 59.1413 29.2545 178.8167 17 L 3.8947 7.5123 118.5136 57.8576 41.7135 179.0841 18 F 4.8452 8.3465 119.5772 60.4399 38.6728 177.4303 19 Y 4.3203 7.5610 116.0229 60.8503 38.7148 177.5720 20 R 2.8283 7.7914 117.9262 58.1011 30.1705 178.0131 21 Q 4.4614 8.9041 116.8393 55.0675 30.7726 176.0851 22 G 4.1606 7.5296 106.8032 44.2289 0.0000 174.7179 23 F 3.1671 10.0500 123.3367 60.7687 39.6967 177.5348 24 A 3.6539 9.3141 123.2754 55.2709 18.2517 178.9313 25 Q 4.0247 7.8781 113.0115 59.0248 28.9865 177.2349 26 T 4.2182 7.3916 115.7807 63.2941 68.9714 174.2798 27 S 4.8150 8.2700 120.7369 56.3164 65.6410 175.1013 28 F 3.7423 9.1490 119.7961 61.0336 38.5949 178.2796 29 V 3.6587 7.7429 118.1808 65.3159 30.8663 177.6393 30 D 4.3117 7.9910 119.0048 57.1668 40.6333 178.6773 31 I 3.7718 7.3707 120.0482 64.0312 37.0486 178.5352 32 S 3.9673 7.9434 115.3356 61.3163 62.5202 176.3677 33 A 4.0084 7.6489 123.1668 54.7756 18.1433 179.1075 34 A 4.0697 7.4103 117.9329 54.5044 18.6542 179.2140 35 V 3.9677 7.8190 115.2700 62.2959 32.1197 175.9211 36 G 3.9391 8.5582 106.9120 46.8233 0.0000 173.3135 37 I 4.5800 7.5881 110.9766 57.7802 40.3186 174.9967 38 S 4.1985 8.5990 115.7246 58.5963 62.9491 175.8312 39 R 4.1238 8.6783 118.3892 58.4093 29.3468 178.5216 40 G 3.7918 7.8200 106.7502 47.6093 0.0000 174.9289 41 N 4.5036 8.4493 119.2843 55.8489 39.0516 176.8290 42 F 4.1228 8.1260 121.7833 61.9115 39.2710 176.7870 43 Y 5.1330 7.7326 114.3898 59.9044 37.7407 177.1748 44 Y 4.4732 7.7776 120.4211 60.9849 38.9700 177.4690 45 H 3.6386 7.8068 115.1779 57.1162 29.6360 175.5557 46 F 5.2379 7.6543 118.5304 55.6843 42.5042 175.6979 47 K 4.9062 9.7787 121.5367 55.8403 34.1463 176.7209 48 T 5.2542 8.0161 107.0387 59.1459 73.1783 175.0003 49 K 3.9736 8.9162 120.2055 59.5930 32.0620 179.4100 50 D 4.5847 8.2971 118.8373 57.3986 40.6085 178.2571 51 E 4.0730 8.3608 119.1054 59.7581 29.5223 179.6255 52 I 2.9187 7.2789 118.3239 63.9637 37.0644 178.3027 53 L 4.2267 8.3190 121.0496 57.9567 41.4245 178.6976 54 A 4.1244 8.0876 120.8339 55.5123 18.3218 179.4631 55 E 4.0769 7.8521 115.3190 59.0710 29.6733 179.5037 56 V 3.6388 7.9247 118.5024 65.8322 31.4967 177.9969 57 I 3.8719 7.7567 119.5405 63.8560 37.0399 178.4456 58 R 4.0173 7.5758 118.0770 58.8826 29.8933 178.6620 59 L 3.9166 8.3132 120.7194 58.1764 41.9812 179.3593 60 R 3.8452 7.7281 117.5676 59.1916 29.9026 179.0332 61 L 3.8371 8.3473 118.7681 57.2268 41.5560 179.3345 62 A 3.9507 7.7279 121.0693 55.0213 18.4898 179.5305 63 R 3.7968 8.2646 115.5893 60.0075 30.1902 179.1619 64 T 3.6179 7.7530 114.4647 66.4792 68.5613 176.4543 65 A 3.8508 7.3882 122.2675 54.6036 18.5797 178.4541 66 Q 4.0345 7.5784 117.4322 56.8164 29.0795 177.4462 *68 L 3.0384 7.9931 118.7370 53.4305 43.8798 179.2183 69 A 3.9172 7.4812 120.6912 55.3536 18.2787 179.3931 70 D 4.5080 8.0622 116.4953 56.6740 40.5523 177.6861 71 W 5.0765 7.3364 118.3009 56.8128 29.0261 176.4774 72 Q 4.5829 8.7525 120.6053 57.4776 31.8627 177.6226 73 G 3.6523 8.4506 105.6428 49.0441 0.0000 174.6613 74 T 4.1658 7.7492 114.6620 64.0822 68.7935 175.0382 75 G 4.2381 7.4604 109.9192 44.6270 0.0000 173.7728 76 D 4.7441 8.2232 115.1214 52.3933 43.4816 176.0996 77 S 4.5800 7.7894 116.6064 55.3505 67.3284 172.2720 78 P 4.4510 0.0000 0.0000 65.1326 31.0267 178.2551 79 R 3.7180 7.9989 116.3006 59.6487 29.6109 177.8558 80 A 3.9309 7.9989 119.7016 55.4219 18.0174 179.1469 81 R 4.3691 8.0460 114.6601 57.9333 30.7430 178.7551 82 I 4.1345 8.1552 120.5728 63.9174 37.2616 177.6913 83 A 4.0751 8.1808 122.1487 55.6994 17.6192 179.5371 84 S 3.4637 7.5951 112.9118 61.9253 62.5662 177.0858 85 F 4.2522 8.3001 121.8993 60.8698 39.2057 176.8904 86 I 3.7840 7.5336 118.4141 63.6445 37.2692 177.0370 87 D 4.5468 7.6475 117.7052 55.0993 40.9029 178.1004 88 L 3.9248 6.8479 119.8594 55.5812 41.7952 177.3093 *90 I 3.9199 7.8099 115.0261 60.9777 38.5739 176.4800 *92 N 4.8357 7.9933 116.3869 52.8224 40.2613 176.2208 93 R 3.8812 8.1988 118.7043 59.8203 28.8624 178.0400 94 A 4.0910 8.0633 120.8266 55.0509 18.3055 179.5675 95 K 4.0059 8.0292 115.6756 59.6765 32.2420 179.6611 96 I 4.1649 8.5887 121.9949 64.2207 36.4788 178.6423 97 T 3.9645 8.6491 116.9563 65.7202 67.9272 176.2031 98 R 3.9622 7.2355 119.2572 57.9958 30.8901 177.0292 99 Y 4.6467 7.9219 113.1704 57.1929 39.4519 175.8100 100 G 3.9612 8.0297 105.8563 44.0502 0.0000 172.0006 101 C 4.2754 8.5835 118.5619 58.5927 31.6021 172.7737 102 P 3.8975 0.0000 0.0000 65.4733 30.5909 178.8375 103 V 3.4234 7.5389 117.5958 65.5217 31.7923 178.1569 104 G 4.0150 8.1597 106.5345 46.9735 0.0000 175.7177 105 S 4.1884 8.1407 116.6697 61.3459 62.9905 176.3965 106 L 3.9005 7.4137 124.1215 57.7898 41.7944 178.5832 107 C 4.0807 7.8039 116.4554 63.1867 28.1182 176.3662 108 T 3.9332 8.0961 111.2820 64.5751 68.3655 176.2506 109 E 3.9025 8.1439 122.0467 59.2330 29.6402 178.9239 110 L 4.0225 8.1145 119.1822 57.4905 41.5717 179.4284 111 S 4.9046 8.1990 114.6159 61.0208 62.2260 176.1109 112 K 4.0116 8.4008 121.1844 59.4326 32.0290 177.9769 113 L 4.2083 8.3697 116.8086 54.7027 41.9845 176.3725 114 D 4.4171 8.2440 118.6075 55.2797 38.8714 173.5807 115 H 4.3844 8.7092 117.4410 55.5532 30.7667 175.7408 116 A 3.9860 7.9718 126.4294 54.8291 18.5942 178.4750 117 A 4.3039 8.1846 116.9785 52.6092 18.5013 178.6846 118 Q 3.9624 7.3828 115.3271 60.4523 28.4836 179.6915 119 G 3.7361 7.9187 108.1019 47.5888 0.0000 174.9697 120 Q 4.0424 7.9701 121.2521 59.3086 29.4501 177.5724 121 A 3.9419 8.1251 121.9717 55.3150 18.3002 178.9583 122 N 4.5938 8.1689 114.9202 56.2036 38.9391 177.3193 123 G 3.7730 8.0821 107.2971 46.9679 0.0000 175.6625 124 L 3.8743 7.6352 121.1356 57.9545 41.6837 179.2324 125 F 4.7925 8.1955 117.2883 61.2545 38.7347 177.8163 126 T 4.0068 8.1625 109.1404 64.8693 68.4155 176.2811 127 L 3.9221 8.2569 122.2069 57.6503 41.5240 179.7678 128 F 4.2640 7.9057 117.4453 61.1857 38.9681 177.0567 129 R 3.9232 8.9266 118.1764 60.1229 29.8166 177.6911 130 D 4.6210 8.9146 118.2754 57.4696 41.1017 179.1382 131 W 4.0781 8.0100 128.1686 60.5670 30.7747 177.8025 132 L 4.0823 8.6365 119.0388 58.0895 41.0553 179.5097 133 Q 4.2540 8.5084 119.5699 59.5015 29.1292 178.5145 134 R 3.9398 7.9143 118.7500 58.8721 29.9302 178.3746 135 Q 3.7649 7.9068 118.3106 58.6740 28.5626 178.3144 136 F 4.0803 8.4710 119.0032 60.3358 38.8521 177.5215 137 A 4.1005 8.2808 120.4076 55.4390 18.1166 179.5637 138 E 3.2752 8.0632 115.0825 59.0016 29.6559 178.3183 139 A 4.1603 7.4186 120.0870 52.6252 19.0486 177.9449 140 G 4.0831 9.2017 105.5168 45.7317 0.0000 173.9354 141 C 4.9434 8.2775 114.6873 58.9494 28.9537 176.2280 142 T 3.7162 7.8786 118.9783 67.2309 68.8840 177.0843 143 T 3.8288 8.0402 116.6609 66.8150 68.6869 174.9083 144 E 4.3625 7.6515 117.8634 56.1637 30.3603 177.6984 145 A 3.9441 8.1765 123.2569 55.1021 18.1864 178.4479 146 P 4.2464 0.0000 0.0000 65.5031 31.4115 178.3131 147 A 4.1621 7.7871 118.5573 54.7163 18.7570 179.0505 148 L 4.1602 7.7362 117.2297 57.2490 41.5224 179.3916 149 A 4.2918 7.5259 116.5058 53.7205 18.0982 178.3173 *151 H 4.4661 8.0883 121.6668 57.2345 32.1034 175.3575 152 L 3.5199 8.2854 120.9201 57.8646 41.6358 178.3731 153 L 4.0068 8.1295 120.4919 58.3001 41.9348 178.6565 154 A 3.9028 7.8571 119.7698 55.5009 18.2976 179.4990 155 R 3.7499 8.2263 116.8692 59.4910 29.9902 179.4676 156 S 4.1083 8.0113 113.5405 61.4738 62.9402 176.5981 157 Q 4.1696 7.9070 121.5592 58.2150 28.5163 178.6630 158 G 3.5871 8.1463 106.7504 47.7325 0.0000 175.2795 159 A 3.9944 7.7488 123.4273 54.8522 18.3779 179.6211 160 A 3.9945 8.1648 118.9793 55.5311 18.4715 179.9221 161 T 3.8557 8.2178 114.4192 67.0017 68.6091 176.9498 162 L 4.2231 8.1150 120.4671 57.7725 41.6626 179.4493 163 A 4.2454 8.5236 120.8585 54.9172 18.1168 179.5762 164 Q 4.1726 8.1947 119.7280 58.8283 29.0409 178.2075 165 S 3.9128 8.0701 113.2743 60.5121 62.4977 174.4971 166 F 4.4386 8.1949 116.3576 56.7510 39.9332 175.1026 167 H 4.1011 7.5225 117.1631 56.7086 26.1859 175.5498 168 D 4.6640 8.9216 117.8473 51.5419 42.5438 175.2921 169 E 4.2611 8.6779 126.1352 58.3483 29.5345 179.0314 170 G 3.6186 8.3848 106.6464 47.6827 0.0000 175.7192 171 F 4.2261 8.3856 122.8013 60.7443 39.5425 176.7556 172 L 3.7941 7.9967 120.1014 58.2637 41.7951 179.2152 173 R 3.8963 8.3185 118.5846 59.2670 29.9411 179.2505 174 S 4.1211 8.0835 114.1661 61.2239 62.7694 176.5471 175 E 3.6784 7.5474 121.4609 58.9680 29.2663 179.0096 176 V 3.5777 7.2597 116.5361 66.0473 32.0596 177.3272 177 A 4.2281 7.6802 120.0953 55.2243 18.1972 179.5898 178 D 4.6427 7.7017 115.1528 55.0540 41.4271 177.8138 *180 H 4.9186 8.2332 116.9112 55.5363 31.0739 176.1367 181 R 4.0413 8.0796 118.0898 58.6275 29.5752 178.5135 182 W 4.2304 8.0494 127.4744 61.0382 30.9148 177.0837 183 L 3.6154 8.5091 119.2480 58.5612 39.8220 178.1797 184 D 4.2086 8.2891 117.6336 57.7949 40.8484 178.6871 185 N 4.1757 8.1545 114.3238 55.0597 38.7120 176.5077 186 T 4.3327 7.9284 117.1436 63.6244 69.5406 174.5846 187 L 4.0743 6.8807 119.3614 53.5929 41.0849 175.0052 188 P 4.2885 0.0000 0.0000 62.6090 31.3813 175.6536 *190 T 4.1030 8.0942 113.6838 64.0069 69.4638 174.3254 191 T 4.0317 8.4646 120.4216 64.0320 68.4114 174.2225 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 N 8.42 4.69 0.00 2.79 2.90 0.00 0.00 6.92 6.46 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 A 8.58 3.86 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 2 V 7.98 3.34 2.09 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 0.80 0.00 0.00 0.95 0.00 0.00 3 Q 8.19 4.11 0.00 2.45 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.24 0.00 4 A 8.08 3.96 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 5 Q 8.03 5.31 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 6 T 7.43 3.89 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 1.23 0.00 0.00 7 R 7.94 3.61 0.00 1.72 2.03 0.00 3.00 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 8 D 7.68 4.38 0.00 2.74 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 9 Q 7.54 4.11 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 10 I 7.39 3.81 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.89 0.00 0.00 11 V 8.08 3.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 12 A 9.21 3.87 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 A 7.86 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.48 0.74 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 0.00 0.00 15 D 7.96 4.18 0.00 2.74 2.81 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 16 E 7.70 4.05 0.00 2.13 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 2.26 2.32 0.00 17 L 7.51 3.89 0.00 1.65 1.69 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.35 4.85 0.00 3.09 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 19 Y 7.56 4.32 0.00 2.88 3.07 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 20 R 7.79 2.83 0.00 1.53 1.41 0.00 2.93 0.00 0.00 2.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.54 0.00 21 Q 8.90 4.46 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.97 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 22 G 7.53 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 10.05 3.17 0.00 2.56 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 24 A 9.31 3.65 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 25 Q 7.88 4.02 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 26 T 7.39 4.22 4.55 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 1.26 0.00 0.00 27 S 8.27 4.82 0.00 4.07 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 28 F 9.15 3.74 0.00 3.06 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 29 V 7.74 3.66 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 1.18 0.00 0.00 0.92 0.00 0.00 30 D 7.99 4.31 0.00 3.03 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 31 I 7.37 3.77 1.72 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.91 0.00 0.00 32 S 7.94 3.97 0.00 3.81 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.01 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 34 A 7.41 4.07 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 35 V 7.82 3.97 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 0.90 0.00 0.00 1.07 0.00 0.00 36 G 8.56 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.59 4.58 1.95 0.00 0.00 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 1.58 0.89 1.00 0.00 0.00 38 S 8.60 4.20 0.00 4.18 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 0.00 39 R 8.68 4.12 0.00 2.09 2.19 0.00 3.16 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 40 G 7.82 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 0.88 0.00 0.00 58 R 7.58 4.02 0.00 2.01 1.94 0.00 3.45 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 59 L 8.31 3.92 0.00 1.72 1.82 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.73 3.85 0.00 1.98 1.85 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.95 0.00 61 L 8.35 3.84 0.00 1.75 1.64 0.88 0.62 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 62 A 7.73 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 63 R 8.26 3.80 0.00 1.63 1.93 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 64 T 7.75 3.62 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 0.61 0.00 0.00 65 A 7.39 3.85 1.14 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 0.00 0.00 66 Q 7.58 4.03 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.34 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 *68 L 7.99 3.04 0.00 1.33 0.54 0.27 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.48 3.92 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 70 D 8.06 4.51 0.00 2.83 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 71 W 7.34 5.08 0.00 3.23 3.47 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 0.00 0.00 0.00 0.00 72 Q 8.75 4.58 0.00 2.45 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 73 G 8.45 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 0.00 0.00 0.00 74 T 7.75 4.17 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 1.25 0.00 0.00 75 G 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0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 94 A 8.06 4.09 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 95 K 8.03 4.01 0.00 1.97 2.19 0.00 1.82 0.00 0.00 2.09 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.81 1.68 7.81 96 I 8.59 4.16 1.99 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 1.62 2.30 0.95 0.00 0.00 97 T 8.65 3.96 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 98 R 7.24 3.96 0.00 1.40 1.32 0.00 2.97 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 99 Y 7.92 4.65 0.00 2.33 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 0.00 100 G 8.03 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 0.00 101 C 8.58 4.28 0.00 3.01 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 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0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 119 G 7.92 3.74 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 0.00 0.00 0.00 120 Q 7.97 4.04 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 121 A 8.13 3.94 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 0.00 122 N 8.17 4.59 0.00 3.07 2.92 0.00 0.00 6.99 7.47 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 0.00 123 G 8.08 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 0.00 124 L 7.64 3.87 0.00 1.88 1.62 0.84 0.73 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 0.00 125 F 8.20 4.79 0.00 3.33 3.07 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 0.00 126 T 8.16 4.01 4.30 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 1.35 0.00 0.00 127 L 8.26 3.92 0.00 1.56 1.44 0.74 1.09 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 0.00 128 F 7.91 4.26 0.00 3.42 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 0.00 129 R 8.93 3.92 0.00 1.92 2.10 0.00 3.15 0.00 0.00 3.20 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 130 D 8.91 4.62 0.00 3.00 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 0.00 131 W 8.01 4.08 0.00 3.70 3.44 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 0.00 132 L 8.64 4.08 0.00 2.24 1.99 1.21 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.51 4.25 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 134 R 7.91 3.94 0.00 1.88 1.82 0.00 3.05 0.00 0.00 2.81 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 135 Q 7.91 3.76 0.00 1.90 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 136 F 8.47 4.08 0.00 3.33 3.02 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 0.00 137 A 8.28 4.10 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 0.00 138 E 8.06 3.28 0.00 1.95 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 0.00 2.30 2.38 0.00 139 A 7.42 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 0.00 140 G 9.20 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 0.00 0.00 0.00 141 C 8.28 4.94 0.00 3.29 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 0.00 142 T 7.88 3.72 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 0.00 143 T 8.04 3.83 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 1.19 0.00 0.00 144 E 7.65 4.36 0.00 1.92 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 2.23 2.33 0.00 145 A 8.18 3.94 1.50 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 0.00 0.00 146 P 0.00 4.25 0.00 2.03 2.14 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 147 A 7.79 4.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.74 4.16 0.00 0.57 0.67 0.32 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.53 4.29 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 *151 H 8.09 4.47 0.00 3.21 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.29 3.52 0.00 2.13 1.93 1.05 0.90 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 0.00 153 L 8.13 4.01 0.00 1.94 1.57 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.86 3.90 1.21 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 0.00 0.00 0.00 155 R 8.23 3.75 0.00 1.72 1.79 0.00 2.99 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.00 156 S 8.01 4.11 0.00 3.90 4.16 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 0.00 0.00 0.00 0.00 157 Q 7.91 4.17 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 158 G 8.15 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.75 3.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.16 3.99 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 0.00 161 T 8.22 3.86 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 0.00 162 L 8.11 4.22 0.00 2.15 1.76 0.82 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.52 4.25 1.60 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 0.00 0.00 164 Q 8.19 4.17 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 165 S 8.07 3.91 0.00 3.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 8.19 4.44 0.00 3.18 2.93 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 0.00 167 H 7.52 4.10 0.00 3.22 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.92 4.66 0.00 2.65 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 0.00 169 E 8.68 4.26 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 170 G 8.38 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 8.39 4.23 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.00 3.79 0.00 1.84 1.81 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.32 3.90 0.00 2.08 1.94 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 174 S 8.08 4.12 0.00 4.01 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 0.00 175 E 7.55 3.68 0.00 1.77 1.78 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 1.47 1.58 0.00 176 V 7.26 3.58 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 0.73 0.00 0.00 0.89 0.00 0.00 177 A 7.68 4.23 1.32 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 0.00 0.00 0.00 178 D 7.70 4.64 0.00 2.82 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 *180 H 8.23 4.92 0.00 3.47 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.08 4.04 0.00 1.98 2.04 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 182 W 8.05 4.23 0.00 3.43 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 3.62 0.00 2.07 1.86 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.29 4.21 0.00 2.86 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 0.00 185 N 8.15 4.18 0.00 2.89 2.80 0.00 0.00 6.99 7.13 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 0.00 186 T 7.93 4.33 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 0.87 0.00 0.00 187 L 6.88 4.07 0.00 1.57 1.61 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.29 0.00 2.01 2.04 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 *190 T 8.09 4.10 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 0.00 191 T 8.46 4.03 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.