NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3536 8.1593 112.9167 60.1201 70.9995 173.4911 3 T 4.3643 7.5611 109.0114 58.7447 71.4253 171.1478 4 Q 4.4014 8.8608 124.7888 54.5598 31.4856 175.9663 5 T 4.1308 8.6093 123.2358 64.3728 69.0682 173.3255 6 A 4.9401 8.9510 127.7917 50.4269 21.6998 176.8775 7 T 4.3778 8.4586 108.1599 61.4576 71.0210 173.7089 8 D 4.4574 7.9813 122.2110 53.6171 41.0887 176.1713 9 F 4.1739 8.9958 127.3029 59.5834 39.6864 176.2763 *11 E 4.2638 8.2117 120.4028 56.1452 31.2598 178.2104 12 I 3.6109 7.7792 118.6924 64.3553 37.4688 177.8331 13 V 3.5642 7.7124 119.9160 65.6929 31.5424 178.3622 14 K 3.9697 7.8922 117.5711 59.1983 31.9910 178.3653 15 G 3.7009 7.9125 105.6397 46.2228 0.0000 173.7154 16 R 3.9399 7.5483 121.5241 56.4199 30.2038 175.6896 17 R 4.7055 8.1399 122.9047 53.9938 34.1449 175.0317 18 S 4.4848 8.5968 115.6004 58.6318 62.8318 174.0175 19 I 4.2755 8.5770 127.6390 59.7670 38.2236 176.1043 20 R 4.3952 8.2698 122.8254 55.9503 31.5840 175.8196 21 N 4.8019 7.2865 115.5977 51.3915 41.5834 172.9630 22 Y 5.1685 8.1942 119.6564 55.7411 42.0712 174.6976 23 D 4.5981 8.9988 121.7017 53.8936 41.0911 177.2230 24 T 4.1379 8.5703 117.2057 63.6008 69.1279 174.6881 25 N 4.6811 8.4791 118.7164 53.0956 39.1120 174.6041 26 V 4.3265 7.4857 118.8368 60.9456 32.9015 175.0183 27 K 4.6425 8.4458 125.4307 54.5548 35.3514 175.1641 28 I 4.3268 7.8319 121.8133 59.2872 38.6601 176.3502 29 S 4.3254 8.3972 119.6670 57.6453 63.8172 174.1000 30 K 3.9341 8.7035 122.8049 59.7316 32.2410 177.7767 31 E 4.0427 8.1808 119.0230 59.1992 29.8641 178.3380 32 E 4.0279 8.1610 117.3937 57.0539 29.2416 178.3750 *34 T 4.1799 8.0672 115.3320 63.1723 70.6048 176.1579 35 Q 4.1660 7.9911 122.9748 58.6769 28.9155 178.2263 36 I 3.5317 7.8608 121.0831 64.4313 37.0705 178.4791 37 L 3.6701 7.6171 119.1857 57.5983 41.2612 179.1368 38 E 3.9431 8.3148 118.7596 59.4812 29.2582 179.4112 39 E 4.0006 8.3996 118.4041 59.3171 29.7034 179.1362 40 A 3.9127 8.1270 121.3941 55.1907 18.2201 178.9577 41 T 3.7885 7.6336 104.8383 62.2931 69.1877 176.2792 42 L 4.1343 7.5731 122.0717 56.0174 41.8935 177.0885 43 A 4.0864 6.8722 121.8148 51.6953 18.8375 175.4925 44 P 4.8099 0.0000 0.0000 62.6648 32.2680 175.4906 45 S 4.7281 8.1640 111.5968 56.7739 65.5433 173.8147 46 S 4.2918 8.5723 117.8589 60.8249 62.8371 174.8803 47 V 3.2872 9.4560 116.9002 61.8923 29.1629 171.8409 48 N 4.0022 7.7632 117.5764 53.1158 37.9345 174.3042 *50 Q 2.5200 8.1953 126.0706 54.7635 29.5724 173.9599 51 P 4.4039 0.0000 0.0000 63.2840 33.2360 178.0427 52 W 4.7596 6.8600 118.4562 56.8974 28.9214 175.7727 53 R 4.6939 8.8773 120.7216 54.6221 34.3145 174.0773 54 F 5.5664 8.6896 119.3822 55.8491 43.0681 173.9878 55 L 4.5561 9.0441 122.5594 53.1437 43.9427 175.8541 56 V 4.1481 8.3536 124.3836 61.6157 31.8827 175.0627 57 I 4.2544 8.5818 130.6531 59.9777 36.9408 175.9739 58 D 4.6069 8.4872 125.2380 52.0096 41.1324 177.1218 59 S 4.3954 7.7980 115.1589 57.6259 65.2407 174.5236 60 E 3.8864 8.5861 122.7047 59.5926 29.4340 178.6130 61 E 4.0809 8.2368 118.9935 59.0113 29.6707 178.8588 62 G 3.7859 8.2624 105.9077 47.8318 0.0000 175.7486 63 K 3.9645 8.3846 121.4605 59.1006 31.8526 179.1499 64 A 3.9978 7.8315 119.7613 55.6284 18.3652 179.5437 65 T 3.8720 7.8493 113.0794 66.6012 68.7734 176.4790 66 L 4.2613 8.4691 122.3386 57.8269 42.1259 178.4378 67 A 4.2189 8.1283 122.4635 54.3257 18.0958 177.9558 68 P 4.2949 0.0000 0.0000 65.2593 31.6809 177.8883 69 L 4.4477 8.0504 115.9197 55.0369 41.7796 177.4538 70 A 4.7343 7.7735 121.9400 51.1948 20.4961 177.6427 71 K 4.2543 7.6320 121.5309 59.1328 30.5292 176.5763 72 F 4.9262 8.4593 122.4910 57.6450 38.0881 175.2706 73 N 5.3165 8.0699 119.2943 52.4532 39.3575 176.8238 74 Q 4.1159 8.1379 119.1677 58.5378 29.0239 177.9122 75 V 3.7361 7.7900 119.2463 66.0055 31.1136 177.9452 76 Q 4.2614 8.0427 117.2847 59.0168 28.4835 178.6258 77 V 3.5968 7.3485 117.4777 66.0753 31.6456 177.7122 78 E 4.1352 8.3671 117.5086 59.7212 29.5217 179.1529 79 T 4.1737 8.0221 108.3369 63.1284 69.4573 175.4431 80 S 3.8455 7.2151 115.5161 58.2406 63.3175 174.5382 81 S 4.2697 8.2735 118.3661 61.7645 63.6822 174.0335 82 A 4.5319 7.3505 118.2672 50.9384 22.6952 175.1402 83 V 4.5030 8.4555 119.7188 61.1620 34.1038 174.6332 84 I 4.6276 8.7943 129.4910 60.0354 38.5873 174.6760 85 A 4.4393 8.8255 130.8799 50.8290 20.1294 175.8694 86 V 4.5136 8.0521 123.0011 61.8158 33.4775 174.7792 87 F 5.3877 9.3411 125.7272 55.7511 43.8377 173.6306 88 G 4.4017 9.1325 107.8982 44.9378 0.0000 173.2890 89 D 4.6844 8.8047 124.8342 52.5187 44.3605 177.2879 *91 K 4.1194 8.3711 117.6377 56.0124 33.7756 177.5853 92 A 3.8694 8.0212 124.5596 55.6112 18.0942 180.6599 93 I 3.5760 7.5332 117.1205 64.0163 36.9075 177.9632 94 D 4.4001 8.0052 119.2133 56.7014 40.8508 177.6943 95 Q 4.2484 7.9027 117.3981 56.2849 28.9163 177.2878 96 L 3.8925 7.6569 122.8333 58.2327 42.0569 178.4339 97 E 3.8753 8.0380 118.3788 59.3697 29.6454 178.1164 98 N 4.3300 8.1992 115.9608 56.5498 38.6327 177.2935 99 I 3.7468 7.9996 120.9147 64.7696 37.2948 178.2403 100 Y 3.9956 8.6014 117.7557 61.0014 37.6835 177.7616 101 D 4.4584 8.7728 120.3109 57.8849 40.9096 179.2424 102 T 3.8677 8.0591 115.8301 66.4513 68.3934 176.4429 103 A 3.9481 7.9647 122.7700 55.2585 18.3329 179.8489 104 V 3.5196 7.8744 116.3951 66.3602 31.4452 178.1373 105 E 4.0359 8.1075 116.8651 59.1000 29.3824 178.6660 106 K 4.3434 8.0603 115.7567 56.3090 32.3456 177.7759 107 G 3.9000 7.9055 107.7276 45.8878 0.0000 173.8934 108 L 4.4048 7.9975 117.6893 54.2110 41.9339 175.2050 *110 P 4.1947 0.0000 0.0000 61.9170 33.6229 176.6692 111 Q 3.9686 8.6468 122.5489 59.7057 28.7854 178.9099 112 E 3.9757 8.1811 119.4295 59.1965 29.6119 178.7677 113 V 3.5832 7.7359 117.7720 65.9719 31.7053 177.7372 114 R 4.0188 8.0457 118.3970 59.7776 29.7428 178.0334 115 D 4.4015 8.3650 117.7043 57.2376 40.9036 178.4777 116 R 4.1757 7.8338 118.5056 59.0865 30.4226 178.4255 117 Q 4.0859 8.3645 117.8833 58.3396 28.6849 178.6124 118 V 3.2390 7.7157 119.8208 65.4281 31.5634 176.3521 119 P 4.3305 0.0000 0.0000 65.6447 30.8359 178.0808 120 A 3.9448 7.5299 119.6854 55.1726 18.4361 179.4228 121 I 3.8807 7.9419 117.1665 64.5292 37.4963 178.2316 122 Q 4.3510 8.3108 119.2489 58.9748 28.3779 179.8720 123 G 3.6437 8.0146 103.0809 45.9295 0.0000 174.5112 *125 Y 4.3341 7.8089 118.9252 57.4660 40.1476 176.5028 126 E 4.1478 8.3921 119.5948 58.6743 29.7176 177.5000 127 N 4.8192 7.4050 115.6270 53.0799 39.1585 174.8908 128 V 4.3009 7.5278 117.2714 60.0426 34.0444 173.8512 129 P 4.4718 0.0000 0.0000 62.1387 33.2339 177.1795 130 A 4.0631 8.5682 121.9905 55.4293 18.3775 180.3967 131 S 4.0606 8.0578 112.1727 61.4723 63.1117 176.5493 132 A 3.9711 7.9051 123.9163 54.7478 18.2266 179.1094 133 L 3.9574 7.9830 118.9173 58.2277 42.2006 179.0092 134 K 3.9027 8.3859 119.8620 59.6779 32.0897 178.4062 135 D 4.3751 8.0495 118.8240 57.4489 40.7643 178.7029 136 S 4.1299 8.1214 113.5947 61.6059 62.4362 176.3585 137 I 3.8125 8.0508 122.5240 64.0542 36.6702 178.5476 138 L 4.0402 8.0689 120.0993 57.7364 41.4778 179.2137 139 I 3.7445 7.7073 119.7621 64.8741 37.1399 178.2635 140 D 4.5842 8.2413 119.3711 57.5818 40.6395 179.1190 141 S 4.5697 8.5825 115.9948 61.3331 62.5698 176.8561 142 G 3.6833 8.3048 108.1873 47.7353 0.0000 175.2210 143 L 4.2080 7.9168 120.7396 57.7478 41.9728 179.9229 144 V 3.5031 7.8155 118.7685 64.4884 30.9455 179.0305 145 S 4.3787 7.7370 113.3394 58.7536 62.8965 175.0511 *147 Q 4.3003 8.0960 125.0583 56.1479 30.5401 177.2048 148 L 3.9683 7.8915 118.6097 55.4220 42.0237 178.5227 *150 L 4.2134 8.0388 118.7675 54.2642 43.8656 179.3959 151 V 3.5793 8.3704 117.9385 65.8579 31.3708 177.6078 152 A 4.0865 8.2614 120.8763 55.7523 18.1901 179.9483 153 R 4.4706 8.1825 116.6913 58.5096 30.1377 178.7023 154 A 4.2298 8.1085 122.2249 54.5739 18.1034 178.3920 155 H 4.5197 7.9014 111.2510 55.6263 29.1385 176.4463 156 G 3.7010 7.7258 108.8159 46.4832 0.0000 173.0904 157 Y 4.8501 7.5305 117.9548 56.9303 40.7112 173.7009 158 D 5.5230 9.4602 119.8750 53.3514 46.0964 174.5840 159 T 5.7013 8.2245 108.2417 60.1563 73.3599 172.3308 160 N 5.2719 8.5170 120.2422 51.2890 41.9618 171.6052 161 P 4.8701 0.0000 0.0000 62.9437 32.4969 175.9469 162 I 4.5990 8.8182 123.6328 59.9454 39.8952 175.4509 163 G 4.1248 9.2328 115.2232 45.5653 0.0000 174.2463 164 G 3.6066 7.8404 110.4136 43.5326 0.0000 171.9692 165 Y 4.8547 7.0491 120.2347 56.2716 41.4034 176.6002 166 E 4.2804 9.1248 121.7656 54.9524 28.2362 177.7558 167 K 3.8693 7.7975 123.0882 59.0010 32.5791 178.6667 168 D 4.6938 7.9822 115.8507 54.6125 40.0391 177.0722 169 Q 4.5455 7.9866 118.5418 56.4847 29.9467 177.4011 170 I 3.9572 7.6107 118.9990 63.8075 37.8334 177.5670 171 A 4.0216 8.1758 120.3636 55.3161 18.6958 178.6403 172 E 4.0214 8.3196 117.0205 59.4896 29.5199 178.6317 173 A 3.9437 7.9210 119.6740 54.2860 18.3165 178.6216 174 F 4.9407 7.7823 113.8595 56.2459 40.4858 173.6442 175 G 3.5443 7.8149 113.3649 45.1884 0.0000 173.3223 *177 E 4.1446 8.0946 122.2055 55.5976 30.0870 176.6247 178 K 4.2691 8.2573 119.1804 57.2369 33.7913 176.0123 179 D 4.3480 8.6710 116.2739 55.6282 38.4043 175.0209 180 R 4.0555 7.5674 114.9001 56.9809 32.2800 174.4074 181 Y 4.9238 7.6634 115.2395 56.1141 39.6564 175.8494 182 V 4.0518 8.9714 126.5356 61.5567 32.7868 173.5950 183 P 4.1841 0.0000 0.0000 63.1539 31.1555 175.9668 184 V 4.0008 8.4396 124.8514 64.3900 32.9735 175.9825 *186 L 4.0062 7.6409 118.4031 54.4428 43.7420 176.2482 187 L 5.0249 8.4499 122.8820 53.3814 44.8932 175.6830 188 S 4.6262 8.6221 121.7586 58.3678 64.7326 173.1633 189 I 4.7384 7.9592 121.3337 59.5252 41.7809 174.4207 190 G 3.8177 7.8390 113.8248 45.7148 0.0000 171.3543 191 K 4.8698 8.3466 121.4856 55.4127 33.0707 176.7741 192 A 4.3772 8.9372 131.0302 52.8943 18.7547 177.1979 193 V 4.2433 7.9321 114.1394 61.2344 32.7325 175.1130 194 D 4.6318 7.3858 117.5591 51.6966 42.1973 174.9880 195 A 4.0175 8.3470 121.1840 52.5056 19.2617 179.5054 196 G 3.6047 7.4555 102.4693 45.0366 0.0000 172.3593 197 Y 4.8931 8.0388 116.5405 55.4813 41.9016 173.3699 198 P 4.6038 0.0000 0.0000 62.6045 32.3893 175.4175 199 S 4.7556 8.1066 112.7667 56.6822 66.2114 173.7250 200 V 4.2139 8.1116 114.0272 60.4058 32.7361 175.9654 201 R 4.7378 8.0381 120.6316 53.8820 33.0113 176.0579 202 L 4.1705 8.3557 120.9938 53.9356 42.5818 175.6198 203 P 4.4777 0.0000 0.0000 62.7547 32.1801 177.5451 204 I 3.8235 8.4768 121.3698 64.5200 36.8664 178.3413 205 N 4.5664 8.2311 116.3179 55.7069 37.1081 176.3794 206 D 4.6124 7.9353 120.8081 55.9932 41.0455 176.6997 207 I 4.5487 7.7579 109.0955 59.8789 38.7738 174.9762 208 A 4.7013 7.8679 122.7720 50.5783 21.9800 175.1283 209 D 5.1402 8.3185 119.9747 52.2452 44.3374 175.6123 210 W 4.4824 9.1412 123.2392 55.8247 30.3442 176.6387 211 K 4.2599 8.4658 120.7236 56.7087 32.4407 176.1145 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 T 8.16 4.35 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 3 T 7.56 4.36 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 1.04 0.00 0.00 4 Q 8.86 4.40 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 5 T 8.61 4.13 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 1.15 0.00 0.00 6 A 8.95 4.94 1.22 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 0.00 0.00 0.00 7 T 8.46 4.38 4.25 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 1.20 0.00 0.00 8 D 7.98 4.46 0.00 2.79 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 9 F 9.00 4.17 0.00 3.15 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 *11 E 8.21 4.26 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 2.28 2.48 0.00 12 I 7.78 3.61 1.84 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 1.14 0.50 0.84 0.00 0.00 13 V 7.71 3.56 1.64 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 0.84 0.00 0.00 0.10 0.00 0.00 14 K 7.89 3.97 0.00 1.74 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 15 G 7.91 3.70 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 0.00 0.00 0.00 16 R 7.55 3.94 0.00 1.86 1.91 0.00 3.20 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 17 R 8.14 4.71 0.00 1.76 1.78 0.00 3.39 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 18 S 8.60 4.48 0.00 3.90 3.87 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 19 I 8.58 4.28 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.47 0.00 0.00 20 R 8.27 4.40 0.00 1.74 1.94 0.00 3.22 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 21 N 7.29 4.80 0.00 2.68 2.54 0.00 0.00 6.90 7.48 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 22 Y 8.19 5.17 0.00 3.05 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 23 D 9.00 4.60 0.00 2.73 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 24 T 8.57 4.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 N 8.48 4.68 0.00 2.90 2.90 0.00 0.00 6.78 7.19 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 26 V 7.49 4.33 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 0.92 0.00 0.00 1.02 0.00 0.00 27 K 8.45 4.64 0.00 1.72 1.61 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.33 7.81 28 I 7.83 4.33 1.62 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.14 0.70 0.00 0.00 29 S 8.40 4.33 0.00 3.96 3.87 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 30 K 8.70 3.93 0.00 1.69 1.87 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 31 E 8.18 4.04 0.00 2.08 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 2.36 0.00 32 E 8.16 4.03 0.00 2.10 1.89 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 2.34 2.38 0.00 *34 T 8.07 4.18 4.37 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 1.19 0.00 0.00 35 Q 7.99 4.17 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 36 I 7.86 3.53 1.68 0.00 0.00 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 1.13 0.34 0.74 0.00 0.00 37 L 7.62 3.67 0.00 1.66 1.45 0.71 0.14 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 38 E 8.31 3.94 0.00 2.15 2.00 0.00 0.00 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1.85 2.04 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 117 Q 8.36 4.09 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 118 V 7.72 3.24 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 1.00 0.00 0.00 0.69 0.00 0.00 119 P 0.00 4.33 0.00 2.28 2.27 0.00 3.85 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 2.21 2.04 0.00 120 A 7.53 3.94 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 0.00 121 I 7.94 3.88 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.66 1.05 0.00 0.00 122 Q 8.31 4.35 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 123 G 8.01 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 Y 7.81 4.33 0.00 3.13 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 E 8.39 4.15 0.00 2.23 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 2.33 2.39 0.00 127 N 7.40 4.82 0.00 2.75 2.77 0.00 0.00 6.73 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 0.00 128 V 7.53 4.30 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 0.88 0.00 0.00 0.62 0.00 0.00 129 P 0.00 4.47 0.00 2.20 1.95 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 130 A 8.57 4.06 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 0.00 131 S 8.06 4.06 0.00 4.07 4.14 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 0.00 132 A 7.91 3.97 1.40 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 0.00 133 L 7.98 3.96 0.00 1.86 1.88 0.91 0.48 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 0.00 134 K 8.39 3.90 0.00 1.92 1.97 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 135 D 8.05 4.38 0.00 2.97 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 0.00 136 S 8.12 4.13 0.00 3.97 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 0.00 137 I 8.05 3.81 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.93 0.00 0.00 138 L 8.07 4.04 0.00 1.90 1.75 0.94 0.57 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 0.00 139 I 7.71 3.74 2.07 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 1.56 0.76 0.97 0.00 0.00 140 D 8.24 4.58 0.00 2.79 2.91 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 0.00 141 S 8.58 4.57 0.00 4.10 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 0.00 142 G 8.30 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 0.00 0.00 0.00 143 L 7.92 4.21 0.00 2.00 1.83 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.82 3.50 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 0.98 0.00 0.00 0.15 0.00 0.00 145 S 7.74 4.38 0.00 4.06 3.95 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 *147 Q 8.10 4.30 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.15 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 148 L 7.89 3.97 0.00 1.76 1.77 0.68 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *150 L 8.04 4.21 0.00 1.91 1.71 0.91 0.72 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 0.00 151 V 8.37 3.58 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 1.10 0.00 0.00 0.95 0.00 0.00 152 A 8.26 4.09 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 0.00 153 R 8.18 4.47 0.00 1.96 1.96 0.00 3.56 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.56 0.00 154 A 8.11 4.23 1.40 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 0.00 155 H 7.90 4.52 0.00 3.45 3.57 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.73 3.70 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 0.00 0.00 0.00 157 Y 7.53 4.85 0.00 3.07 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 0.00 158 D 9.46 5.52 0.00 2.67 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 0.00 159 T 8.22 5.70 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 1.20 0.00 0.00 160 N 8.52 5.27 0.00 3.17 2.76 0.00 0.00 7.39 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 0.00 161 P 0.00 4.87 0.00 2.14 2.05 0.00 3.80 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 2.02 2.02 0.00 162 I 8.82 4.60 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.85 0.00 0.00 163 G 9.23 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 0.00 164 G 7.84 3.61 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 0.00 0.00 0.00 165 Y 7.05 4.85 0.00 3.16 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 0.00 166 E 9.12 4.28 0.00 2.04 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 2.48 2.45 0.00 167 K 7.80 3.87 0.00 1.60 1.70 0.00 1.39 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.65 7.81 168 D 7.98 4.69 0.00 2.80 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 0.00 169 Q 7.99 4.55 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 170 I 7.61 3.96 2.19 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 1.92 1.83 1.31 0.00 0.00 171 A 8.18 4.02 1.40 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 0.00 172 E 8.32 4.02 0.00 2.12 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 2.38 2.44 0.00 173 A 7.92 3.94 1.20 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 0.00 0.00 174 F 7.78 4.94 0.00 3.03 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 0.00 175 G 7.81 3.54 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 0.00 0.00 0.00 *177 E 8.09 4.14 0.00 2.14 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 2.32 2.29 0.00 178 K 8.26 4.27 0.00 1.98 1.99 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.45 7.81 179 D 8.67 4.35 0.00 2.81 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 0.00 180 R 7.57 4.06 0.00 1.39 1.20 0.00 2.94 0.00 0.00 2.72 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 181 Y 7.66 4.92 0.00 2.80 2.74 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 0.00 182 V 8.97 4.05 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 1.07 0.00 0.00 0.97 0.00 0.00 183 P 0.00 4.18 0.00 1.93 1.99 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 184 V 8.44 4.00 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 0.79 0.00 0.00 1.03 0.00 0.00 *186 L 7.64 4.01 0.00 1.30 1.29 0.40 -0.12 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 0.00 187 L 8.45 5.02 0.00 1.66 1.41 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.62 4.63 0.00 3.84 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 0.00 189 I 7.96 4.74 1.68 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.40 0.68 0.00 0.00 190 G 7.84 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 0.00 0.00 0.00 191 K 8.35 4.87 0.00 2.03 1.83 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.49 7.81 192 A 8.94 4.38 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 0.00 193 V 7.93 4.24 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 0.75 0.00 0.00 0.90 0.00 0.00 194 D 7.39 4.63 0.00 2.56 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 8.35 4.02 1.22 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 0.00 0.00 0.00 196 G 7.46 3.60 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 0.00 197 Y 8.04 4.89 0.00 2.92 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 0.00 198 P 0.00 4.60 0.00 2.21 2.08 0.00 3.88 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 2.04 1.99 0.00 199 S 8.11 4.76 0.00 3.95 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 0.00 200 V 8.11 4.21 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 0.74 0.00 0.00 0.94 0.00 0.00 201 R 8.04 4.74 0.00 1.77 1.81 0.00 3.39 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 202 L 8.36 4.17 0.00 1.65 1.63 0.94 1.11 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 0.00 203 P 0.00 4.48 0.00 2.45 2.20 0.00 3.85 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 2.40 2.01 0.00 204 I 8.48 3.82 2.00 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 1.77 1.24 1.20 0.00 0.00 205 N 8.23 4.57 0.00 2.90 3.01 0.00 0.00 6.05 8.06 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 0.00 206 D 7.94 4.61 0.00 2.91 2.79 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 0.00 0.00 0.00 207 I 7.76 4.55 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.93 0.00 0.00 208 A 7.87 4.70 1.10 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 0.00 209 D 8.32 5.14 0.00 2.64 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 0.00 210 W 9.14 4.48 0.00 3.34 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 0.00 211 K 8.47 4.26 0.00 1.69 1.66 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.