NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.0504 8.3149 121.7767 56.0532 33.9552 175.5248 3 Y 4.6410 7.8079 115.3897 56.1343 39.2086 174.2445 4 K 4.3634 9.2328 126.5072 58.2179 34.7062 176.2434 5 A 5.3237 7.9524 119.7439 50.7047 23.0582 175.1851 6 V 4.8888 8.9547 119.4040 61.1472 34.9365 174.2736 7 L 5.3355 9.4245 128.2878 53.0355 44.2578 175.8602 8 V 4.8942 8.3826 121.8491 60.0067 35.1730 175.2784 9 D 4.9541 8.5829 123.7608 53.9748 42.2709 174.9896 10 F 4.7205 8.9946 119.8751 59.7150 41.5046 175.1382 11 G 3.9426 8.0726 108.5081 46.8055 0.0000 173.4483 12 N 4.7411 8.5834 117.3368 53.3391 37.2065 174.4568 13 T 4.2032 7.4771 111.5256 64.5289 70.9651 175.4186 14 L 4.3351 8.4258 120.5054 55.9730 43.0018 177.1167 15 V 3.7639 6.9210 117.6276 60.5595 34.4690 175.2982 16 G 3.2844 6.4478 114.5219 44.6630 0.0000 172.3338 17 F 5.5081 8.2772 117.8627 55.4542 42.9245 174.4760 18 K 4.5958 8.9313 120.3240 54.1911 36.2654 173.9819 19 P 4.1085 0.0000 0.0000 62.2774 32.0092 176.5329 20 V 3.7692 8.6046 121.5490 65.3965 32.1566 177.8982 21 F 4.4488 7.6400 119.5310 56.3008 35.8104 176.2439 22 Y 4.2529 7.2466 120.0754 60.4055 38.2576 178.1206 23 E 4.2847 7.3466 120.3990 58.6165 29.8064 178.4511 24 K 4.0251 7.9772 119.6271 59.1801 32.3514 178.8393 25 V 3.6073 7.9301 118.6967 66.0883 31.5083 177.0910 26 Y 4.1605 8.6158 119.7292 61.1497 38.5705 178.2337 27 Q 3.8345 8.3524 120.1480 58.9377 28.9631 178.3525 28 V 3.6106 7.8778 119.5390 65.8029 31.5174 178.0426 29 L 4.0971 7.9237 118.8056 57.6995 41.4333 179.4025 30 K 3.9831 7.7671 120.7747 59.1558 31.8945 178.4495 31 D 4.4203 8.2208 118.2123 56.9273 40.6600 177.5354 32 N 4.9231 7.6817 115.1642 52.8550 39.1433 175.8344 33 G 3.5625 8.1959 107.8043 45.6961 0.0000 174.0601 34 Y 4.3338 8.0269 118.7237 55.9863 37.9801 174.1621 35 D 4.8294 8.3970 124.6584 52.6507 40.8146 175.4480 36 L 4.8852 8.1415 125.8604 52.6320 44.9968 176.4639 37 D 4.8723 8.2936 120.9123 52.1843 41.2591 177.3873 38 L 3.7082 8.1125 118.4202 57.5472 41.2888 179.5589 39 R 3.3803 7.0794 117.8441 59.4663 30.0771 179.1120 40 K 3.9067 8.0091 117.7653 59.0749 31.9931 179.7195 41 V 3.7993 7.5457 118.1463 66.2438 31.6197 178.0418 42 F 4.5527 8.2284 117.9995 60.3899 38.5206 177.5359 43 R 3.9634 7.7424 118.2894 59.6487 29.8566 178.5233 44 A 3.9556 7.8535 119.9394 55.1398 18.0924 178.9698 45 Y 4.1916 8.5159 117.2711 60.8651 39.0068 177.7642 46 A 4.2805 8.2106 120.7458 55.1767 18.6106 179.4254 47 K 4.1078 7.7528 115.7133 59.1683 33.1102 179.7044 48 A 4.3326 8.2374 122.1003 51.4535 16.5151 177.8673 *50 G 3.5098 7.9035 108.4447 46.0805 0.0000 173.8073 *52 I 3.8388 7.5943 118.3403 59.9045 37.0270 178.9503 53 N 4.6810 8.9030 124.3339 53.2919 38.3863 174.7775 *54 Y 4.2958 7.1254 115.5517 57.5330 35.9145 184.3605 *60 L 4.0251 8.2654 117.6107 56.2398 40.9112 172.6690 61 E 4.3325 7.7484 121.1584 55.5075 31.8226 176.3547 62 H 4.9961 7.7315 116.6393 55.3514 25.7742 174.8652 63 V 3.6285 7.3831 114.7087 61.0270 32.5462 175.0409 64 D 4.7305 8.4034 122.4471 52.9816 42.9153 175.8954 65 P 4.4320 0.0000 0.0000 65.6930 31.3952 179.0026 66 K 3.9969 8.1340 118.2375 59.5783 32.1094 178.6246 67 D 4.5638 9.1227 119.4859 57.4721 40.6742 178.8685 68 F 4.3192 8.0936 121.1476 61.1840 39.3931 177.3937 69 L 3.7554 8.1614 118.7715 57.6447 41.3231 178.5244 70 Y 4.0905 8.4728 119.9237 61.1334 38.4880 178.5135 71 I 3.5060 7.7070 118.8947 64.2740 37.2869 178.0068 72 L 4.0600 7.2485 117.6412 55.1080 41.4812 177.6951 73 G 3.7602 7.8099 106.8849 46.1598 0.0000 173.1471 74 I 4.3886 7.5837 119.7000 58.8001 39.2531 175.1326 75 Y 4.3336 8.4891 125.7843 56.7456 39.4244 175.1887 76 P 4.4289 0.0000 0.0000 61.4751 29.4456 176.2697 77 S 4.1754 7.8679 121.2712 59.4529 65.3977 174.2380 78 E 3.9132 8.8836 124.1396 60.0199 29.2910 180.0466 79 R 3.8744 7.8919 117.5617 59.2395 30.3439 177.8319 80 L 3.9311 7.9518 119.6742 58.4626 42.1252 178.8455 81 V 3.6182 7.6564 117.6934 65.9062 31.3670 177.9485 82 K 3.9160 7.8862 118.8288 59.6927 32.1564 178.7865 83 E 4.1944 8.7981 119.1072 59.3395 29.2660 179.4376 84 L 4.0588 8.0871 119.2685 57.5570 41.6085 179.5569 85 K 3.9855 8.0415 118.4561 59.5892 31.7866 179.2616 86 E 3.9246 8.1255 117.4803 59.0798 29.4524 178.4608 87 A 4.1424 7.6488 117.9868 51.7261 18.9652 176.4761 88 D 4.4740 8.3867 116.7510 54.9391 40.0485 175.7422 89 I 3.7327 7.9311 120.1465 63.4699 38.2490 177.1022 90 R 4.4170 7.9724 115.6804 58.0173 29.7341 175.4474 91 D 4.9884 8.5770 120.2888 53.7239 41.7597 175.9942 92 G 4.8519 8.6092 109.7940 44.3561 0.0000 171.0755 93 E 5.0938 9.2578 116.0613 54.6997 33.1648 174.5616 94 A 4.3143 8.7598 123.5271 51.1294 20.3960 176.5219 95 F 4.8650 7.7881 115.0469 54.8636 41.8828 173.3197 96 L 3.9860 7.7433 122.1049 53.7147 43.1068 175.9016 97 Y 4.2896 7.6871 123.5148 57.9392 38.4606 176.9011 98 D 4.4014 9.0833 122.7487 57.0434 41.1946 177.4359 99 D 5.0534 7.7647 115.1240 52.7507 40.6422 178.1963 100 T 3.8043 7.7386 117.7021 66.8303 68.3438 175.8772 101 L 3.8020 7.8963 120.1116 58.1475 41.5249 179.3803 102 E 3.9205 8.1584 117.5269 59.4343 29.4494 179.1874 103 F 4.1785 8.3553 120.5336 61.2132 39.4359 177.2421 104 L 3.5236 7.8437 118.5472 57.5605 41.2967 178.8872 105 E 4.0398 7.8902 119.6382 59.4448 29.4463 179.1567 106 G 3.5230 8.1394 105.6959 47.6317 0.0000 175.7567 107 L 3.9045 7.5468 121.2135 57.3513 41.7657 179.3269 108 K 4.0800 8.0499 119.9271 59.4595 31.9815 178.1210 109 S 4.6054 8.0515 110.9408 58.9510 63.3449 174.0507 110 N 4.7829 7.7121 117.8787 53.3258 38.6638 175.4483 111 G 3.8463 8.1688 105.6253 45.1911 0.0000 173.6154 112 Y 4.4457 7.5664 117.0659 57.2898 38.8839 175.5708 113 K 4.6199 8.8830 122.6354 55.8922 34.2322 175.8224 114 L 5.4318 9.1165 122.4904 52.9717 45.4087 175.3763 115 A 5.3848 8.9537 124.4714 50.0913 22.4450 174.4499 116 L 4.6294 8.2848 123.3908 53.2701 44.2159 175.3189 117 V 4.0779 8.2328 126.6283 61.4491 33.9239 174.3599 118 S 4.8023 8.2163 122.0427 57.6382 66.4984 174.3056 119 N 4.9662 8.6183 116.5980 54.9175 37.7736 180.5339 120 A 3.7703 7.5711 120.3241 53.6033 15.1530 177.3694 121 S 4.1262 8.0252 116.6015 60.2772 63.4807 174.8407 122 P 4.1195 0.0000 0.0000 65.4082 31.1726 177.9886 123 R 3.8602 7.9978 116.9395 59.9154 29.8330 178.3320 124 V 3.3209 7.6583 117.4139 65.5976 31.3753 178.1082 125 K 3.8768 8.4236 118.6031 59.7764 31.9165 179.0228 126 T 3.8547 7.8763 115.9977 67.0753 68.3552 176.4788 127 L 3.8344 7.8649 120.3521 57.4785 41.6420 179.2243 128 L 4.1741 8.6557 119.6055 58.0003 41.7095 179.1983 129 E 3.8868 8.4774 119.1462 59.1612 29.4236 178.3891 130 K 3.6762 8.1878 118.6086 59.4638 32.2590 177.7885 131 F 4.8639 7.9830 114.0477 56.3310 39.8770 174.8758 132 D 4.4520 7.9111 116.6911 55.7916 39.7684 174.5782 133 L 4.8794 8.4936 119.9247 56.1295 43.0393 178.0663 134 K 4.1146 8.4104 119.7740 59.7580 31.7448 178.3885 135 K 4.0163 7.8961 116.7033 59.4997 32.4906 177.8106 136 Y 4.2112 7.5366 116.7510 58.1604 38.1467 175.0829 137 F 4.9646 7.3292 118.9841 56.0824 40.2021 175.8369 138 D 4.7428 8.9689 125.5825 56.6180 41.4178 176.4593 139 A 4.7504 8.0310 118.9216 50.5360 22.8845 174.8724 140 L 4.6867 8.5921 120.3646 52.6537 44.0113 177.4324 141 A 4.5394 9.0304 131.2969 50.5225 17.5351 177.4828 142 L 5.2005 7.3313 127.8439 51.4932 40.2467 175.7310 *153 P 4.1880 0.0000 0.0000 61.6917 33.0010 179.7011 154 K 4.0822 8.6147 117.7700 59.1497 31.8100 178.7012 155 I 4.1089 8.1673 117.1352 64.7025 37.8275 177.5939 156 F 4.3906 8.6131 118.7797 60.7798 38.8430 177.8317 157 G 3.6228 8.2349 104.3414 47.1645 0.0000 175.9160 158 F 4.1846 8.2211 119.7703 60.2125 39.1158 177.0984 159 A 4.0679 8.4277 120.7671 55.3135 18.2314 179.3633 160 L 3.9689 7.8934 117.7578 58.3832 41.9752 179.0312 161 A 4.1500 7.7055 118.7701 55.0298 18.3993 179.1001 162 K 4.0525 7.9556 117.0140 59.7622 32.4639 178.8625 163 V 4.0032 7.8991 109.5915 60.6404 32.0078 177.4749 164 G 3.9953 8.2921 103.1550 45.6987 0.0000 171.9202 165 Y 5.0168 6.9663 115.4204 54.2262 41.3264 173.0400 166 P 4.9505 0.0000 0.0000 62.9705 32.7489 175.3330 167 A 5.4626 9.2470 123.4773 50.3122 23.2983 174.8180 168 V 4.7054 8.6530 118.3667 61.3479 34.7210 173.8701 169 H 5.2000 9.5062 127.7679 54.6152 32.0840 172.7534 170 V 4.5158 8.7878 127.6175 61.5612 32.9954 174.9445 171 G 3.9808 8.2298 113.2109 45.7984 0.0000 173.2205 172 D 5.6388 9.5153 120.9905 53.6559 40.8003 175.1268 173 I 3.4995 8.3342 117.5913 59.1269 34.7834 177.8739 174 Y 4.3907 8.7913 123.7750 58.8102 39.0258 179.5652 175 E 2.5400 5.9000 119.4187 56.5262 28.7151 175.7074 176 L 4.0366 8.0930 127.0423 55.6243 41.9213 176.4267 177 D 4.6969 8.4395 123.9423 53.6635 42.1442 175.4743 178 Y 4.8718 7.1586 116.4075 56.7737 39.0129 175.1668 179 I 3.8848 7.7063 121.5906 60.3036 37.9875 175.3981 180 G 3.0739 7.6813 113.6464 44.1815 0.0000 170.5002 181 A 4.2594 6.6402 121.6282 53.4362 20.3648 178.6432 182 K 4.2105 7.8923 118.4361 58.2348 33.1910 177.8506 183 R 4.6143 7.3820 115.6392 54.4844 33.9534 174.1275 184 S 4.1868 8.5677 115.7691 59.2571 62.9323 173.6487 185 Y 4.7571 8.4695 124.0187 58.8238 38.7344 175.1187 186 V 5.0675 7.8190 119.9813 61.6868 34.7447 173.7303 187 D 5.1387 9.3121 128.5609 52.3005 42.8186 174.2446 188 P 5.3650 0.0000 0.0000 62.1764 33.6271 175.0597 189 I 4.5623 9.2352 122.6271 59.4204 40.6097 174.4042 190 L 4.6733 8.5924 129.2961 54.4567 43.3574 174.8111 191 L 4.7205 9.0313 130.1529 53.8481 43.3970 174.6954 192 D 5.3349 9.1458 127.3120 52.3974 40.9039 176.2830 193 R 4.0120 8.2305 121.9847 57.8331 30.5682 177.2755 194 Y 4.7941 7.2841 113.9938 57.0858 38.5691 175.0008 195 D 4.5198 8.1500 116.7884 55.5344 39.2393 173.8170 196 F 4.5058 9.1709 120.4049 58.8323 40.9568 174.9091 197 Y 4.7664 8.2360 118.0877 56.2469 37.5332 174.7234 198 P 4.4344 0.0000 0.0000 64.7962 32.2749 177.6196 199 D 4.5537 8.0063 117.3219 54.3544 41.2937 175.9627 200 V 4.0534 7.5562 120.3099 61.3209 31.8437 175.2068 201 R 4.3847 8.3565 127.2166 55.6816 31.8924 175.3819 202 D 4.7672 8.7344 118.5131 53.8952 40.3072 174.3425 203 R 4.3575 7.5552 113.6253 56.5781 30.6273 175.8421 204 V 4.4957 8.5490 112.0096 59.5908 34.6620 176.7395 205 K 4.5848 9.3696 120.3012 56.9961 33.5437 175.7750 206 N 4.8719 7.3058 116.1526 50.8597 42.8273 175.0185 207 L 3.6519 8.3648 119.3296 56.7306 41.4719 180.0685 208 R 3.8905 7.7458 118.3403 59.3416 30.0949 178.2606 209 E 4.0487 8.1957 117.5068 59.5364 29.3807 179.2509 210 A 3.9189 7.9301 120.5156 55.1176 18.4342 179.4062 211 L 3.9651 8.3740 119.2091 58.5830 42.1925 179.2773 212 Q 4.0357 8.3714 118.1375 58.6463 28.3584 178.6547 213 K 4.2008 8.1125 121.7701 59.0278 32.3404 178.3712 214 I 3.7372 7.6971 119.1824 64.7585 37.0830 177.8939 215 E 4.2873 7.9221 118.1238 58.9658 29.1203 179.9067 216 E 4.1053 8.1577 118.8893 56.1559 29.5418 176.9398 *218 N 4.6393 8.2398 122.0221 53.2614 37.7890 173.8683 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 2 K 8.31 4.05 0.00 1.62 1.76 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.35 1.15 7.81 3 Y 7.81 4.64 0.00 3.28 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 4 K 9.23 4.36 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.31 7.81 5 A 7.95 5.32 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 6 V 8.95 4.89 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 0.98 0.00 0.00 0.72 0.00 0.00 7 L 9.42 5.34 0.00 1.35 1.40 0.94 0.83 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 8 V 8.38 4.89 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 1.11 0.00 0.00 1.05 0.00 0.00 9 D 8.58 4.95 0.00 2.58 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 10 F 8.99 4.72 0.00 3.03 2.99 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 11 G 8.07 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 12 N 8.58 4.74 0.00 3.13 3.05 0.00 0.00 6.81 7.43 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 13 T 7.48 4.20 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 14 L 8.43 4.34 0.00 1.73 1.59 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.92 3.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.45 0.00 0.00 16 G 6.45 3.28 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 0.00 17 F 8.28 5.51 0.00 3.04 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 18 K 8.93 4.60 0.00 1.13 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.09 1.05 7.81 19 P 0.00 4.11 0.00 2.04 1.56 0.00 3.64 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.56 0.00 20 V 8.60 3.77 1.82 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 0.15 0.00 0.00 0.88 0.00 0.00 21 F 7.64 4.45 0.00 3.21 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.25 4.25 0.00 3.44 3.45 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 23 E 7.35 4.28 0.00 1.92 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 2.35 2.46 0.00 24 K 7.98 4.03 0.00 1.92 2.02 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.55 7.81 25 V 7.93 3.61 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 1.01 0.00 0.00 0.94 0.00 0.00 26 Y 8.62 4.16 0.00 3.18 3.24 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 27 Q 8.35 3.83 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 28 V 7.88 3.61 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 1.03 0.00 0.00 0.97 0.00 0.00 29 L 7.92 4.10 0.00 1.91 1.93 1.12 1.09 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 30 K 7.77 3.98 0.00 1.32 1.63 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.21 7.81 31 D 8.22 4.42 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 32 N 7.68 4.92 0.00 2.84 2.98 0.00 0.00 7.13 8.19 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 33 G 8.20 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 34 Y 8.03 4.33 0.00 3.17 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 35 D 8.40 4.83 0.00 2.61 2.63 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 36 L 8.14 4.89 0.00 1.73 1.58 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.62 4.97 0.00 2.84 2.44 0.00 0.00 7.06 7.23 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 0.00 120 A 7.57 3.77 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 0.00 121 S 8.03 4.13 0.00 4.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.12 0.00 2.16 2.12 0.00 3.55 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 2.09 2.12 0.00 123 R 8.00 3.86 0.00 1.89 2.06 0.00 3.11 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 124 V 7.66 3.32 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 0.21 0.00 0.00 0.74 0.00 0.00 125 K 8.42 3.88 0.00 2.01 1.81 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 126 T 7.88 3.85 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 1.17 0.00 0.00 127 L 7.86 3.83 0.00 2.09 2.02 1.40 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.66 4.17 0.00 1.99 1.80 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.48 3.89 0.00 2.21 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 2.29 2.35 0.00 130 K 8.19 3.68 0.00 1.55 1.40 0.00 1.61 0.00 0.00 1.22 0.00 0.00 2.63 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.65 1.24 7.81 131 F 7.98 4.86 0.00 3.18 3.01 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 0.00 132 D 7.91 4.45 0.00 2.90 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 0.00 133 L 8.49 4.88 0.00 2.06 2.19 1.27 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.41 4.11 0.00 1.91 1.90 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.63 7.81 135 K 7.90 4.02 0.00 1.72 1.77 0.00 1.29 0.00 0.00 1.50 0.00 0.00 3.36 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.87 0.54 7.81 136 Y 7.54 4.21 0.00 2.25 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.33 4.96 0.00 3.20 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 0.00 138 D 8.97 4.74 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.03 4.75 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 0.00 140 L 8.59 4.69 0.00 1.47 1.49 0.71 0.78 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 0.00 141 A 9.03 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.33 5.20 0.00 1.67 1.50 0.92 0.91 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 *153 P 0.00 4.19 0.00 2.01 2.01 0.00 3.73 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 1.59 0.00 154 K 8.61 4.08 0.00 1.67 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.04 7.81 155 I 8.17 4.11 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 1.22 0.00 0.00 156 F 8.61 4.39 0.00 3.05 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 0.00 157 G 8.23 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 0.00 158 F 8.22 4.18 0.00 3.29 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 0.00 159 A 8.43 4.07 1.39 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 0.00 0.00 160 L 7.89 3.97 0.00 1.99 1.92 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.71 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 7.96 4.05 0.00 1.96 2.14 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.54 7.81 163 V 7.90 4.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.10 0.00 0.00 164 G 8.29 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 0.00 0.00 0.00 165 Y 6.97 5.02 0.00 3.16 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 0.00 166 P 0.00 4.95 0.00 1.88 2.09 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 167 A 9.25 5.46 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.65 4.71 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 0.87 0.00 0.00 0.32 0.00 0.00 169 H 9.51 5.20 0.00 3.34 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.79 4.52 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 0.67 0.00 0.00 0.95 0.00 0.00 171 G 8.23 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 0.00 0.00 0.00 172 D 9.52 5.64 0.00 2.87 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 0.00 173 I 8.33 3.50 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 1.47 0.50 0.91 0.00 0.00 174 Y 8.79 4.39 0.00 3.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 5.90 2.54 0.00 1.73 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 2.04 1.97 0.00 176 L 8.09 4.04 0.00 1.56 1.61 0.83 0.95 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 0.00 177 D 8.44 4.70 0.00 2.66 2.44 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 0.00 178 Y 7.16 4.87 0.00 2.94 2.98 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 0.00 179 I 7.71 3.88 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.76 0.00 0.00 180 G 7.68 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 0.00 0.00 0.00 181 A 6.64 4.26 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 0.00 182 K 7.89 4.21 0.00 1.81 1.91 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 183 R 7.38 4.61 0.00 1.93 1.86 0.00 3.20 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 184 S 8.57 4.19 0.00 3.84 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 0.00 185 Y 8.47 4.76 0.00 2.74 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 0.00 186 V 7.82 5.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.05 0.00 0.00 187 D 9.31 5.14 0.00 2.69 2.62 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 0.00 188 P 0.00 5.37 0.00 2.12 2.03 0.00 3.74 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 1.94 0.00 189 I 9.24 4.56 1.85 0.00 0.00 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 1.09 1.22 0.87 0.00 0.00 190 L 8.59 4.67 0.00 1.74 1.52 0.80 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 191 L 9.03 4.72 0.00 1.57 1.35 0.76 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 192 D 9.15 5.33 0.00 2.92 2.56 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 0.00 193 R 8.23 4.01 0.00 0.75 1.23 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.24 0.00 194 Y 7.28 4.79 0.00 3.12 2.86 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 0.00 195 D 8.15 4.52 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 F 9.17 4.51 0.00 2.83 2.67 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 0.00 197 Y 8.24 4.77 0.00 3.18 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 0.00 198 P 0.00 4.43 0.00 2.17 2.17 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 199 D 8.01 4.55 0.00 2.70 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 0.00 200 V 7.56 4.05 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 0.70 0.00 0.00 0.92 0.00 0.00 201 R 8.36 4.38 0.00 1.80 1.81 0.00 3.33 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 202 D 8.73 4.77 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 R 7.56 4.36 0.00 2.09 1.92 0.00 3.11 0.00 0.00 3.69 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 204 V 8.55 4.50 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 0.71 0.00 0.00 0.90 0.00 0.00 205 K 9.37 4.58 0.00 1.74 1.87 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.32 7.81 206 N 7.31 4.87 0.00 2.67 2.67 0.00 0.00 7.14 6.74 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 0.00 207 L 8.36 3.65 0.00 1.50 0.90 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 208 R 7.75 3.89 0.00 1.82 1.96 0.00 3.13 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 209 E 8.20 4.05 0.00 2.07 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 2.38 2.35 0.00 210 A 7.93 3.92 1.16 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 0.00 211 L 8.37 3.97 0.00 2.05 1.92 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 212 Q 8.37 4.04 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 213 K 8.11 4.20 0.00 1.71 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.32 7.81 214 I 7.70 3.74 1.91 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 1.40 0.79 0.62 0.00 0.00 215 E 7.92 4.29 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 216 E 8.16 4.11 0.00 2.20 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 2.35 2.52 0.00 *218 N 8.24 4.64 0.00 2.93 3.11 0.00 0.00 6.10 7.56 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 * Residues marked with a * may have inaccurate shift predictions.