NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5196 8.4449 120.3913 55.8641 31.9439 173.3141 *2 R 4.4908 7.4788 117.1611 56.1649 31.7889 174.3385 3 T 5.0388 9.5536 113.0264 59.8272 71.6677 172.8452 4 L 4.9895 9.0039 127.0526 53.2417 44.9825 174.9780 5 A 4.9475 8.8403 128.6931 51.1307 21.0359 176.0443 6 V 4.8401 8.5642 120.1262 61.2749 35.1254 174.1653 7 I 4.6707 8.9366 129.4505 59.7681 38.9790 174.4473 8 S 5.0873 8.9892 122.5329 56.0291 64.9140 173.8844 9 A 4.7793 8.1434 127.4088 51.6161 19.7259 176.7627 10 G 3.7677 8.2904 106.7059 47.0166 0.0000 174.1070 11 L 4.5969 8.3073 118.8048 55.1821 44.0132 177.6261 12 S 4.5261 7.9136 113.6968 58.0273 63.7376 173.5911 13 T 4.5090 8.0233 111.2036 59.2937 70.4193 172.2373 14 P 4.3494 0.0000 0.0000 62.5494 32.1353 176.0161 15 S 4.6568 8.2908 113.4982 56.7581 63.9938 174.8955 16 S 4.4313 8.5632 127.4149 61.4065 62.6494 176.6507 17 T 3.8124 7.8435 117.9161 66.8198 68.2006 176.4904 18 R 3.9924 8.0926 121.7507 58.6059 29.5005 178.4100 19 Q 3.9659 8.2664 118.4944 59.2039 28.8169 178.8220 20 I 3.7847 8.0218 119.1666 63.8111 38.0197 177.6380 21 A 4.0851 8.2078 121.9708 55.2097 18.1453 179.4374 22 D 4.4577 8.2050 118.8628 56.9740 40.9557 178.8489 23 S 4.0836 8.1583 115.9215 61.8168 62.7866 177.0704 24 I 3.6512 8.1725 122.7072 64.4548 36.7798 178.7368 25 S 4.1248 8.1670 115.0981 61.3648 62.7221 176.3525 26 E 3.9026 8.7261 122.3199 59.2321 29.2543 179.1094 27 A 3.9661 7.9497 120.7768 55.2164 18.3739 179.8946 28 V 3.5767 8.0862 117.1255 66.2932 31.5779 178.4984 29 T 3.8557 8.0951 115.4877 66.4571 68.2738 176.5092 30 A 3.9844 8.1769 122.5545 55.1516 18.2662 179.5991 31 A 3.9632 8.0738 119.3298 55.1950 18.4071 180.0582 32 V 3.6145 8.0331 116.8086 65.7077 31.5411 178.3789 33 S 4.8344 8.4270 114.4235 60.9440 62.0847 175.9584 34 A 4.2735 7.8220 122.0930 54.7397 18.0449 178.6930 35 R 4.4106 7.4141 114.7705 56.0349 30.2896 177.4697 36 G 3.9127 8.5044 106.9375 45.4743 0.0000 172.9814 37 E 4.6948 8.4322 118.5188 54.1515 33.1977 174.2593 38 A 4.9258 8.2846 122.2385 50.5296 20.7050 176.0005 39 L 4.8554 8.3326 123.5182 53.2854 44.5920 175.3891 40 S 4.6969 9.2972 122.6236 56.9465 63.7950 172.9136 41 V 4.7123 8.3707 127.7845 60.2382 33.0323 175.2143 42 S 4.6175 8.9041 121.6913 56.9335 63.6975 172.6243 43 T 5.0547 8.4115 124.1375 62.1837 70.2852 174.4079 44 I 4.4326 8.8623 126.2525 59.5154 40.5373 174.3423 45 E 4.6779 8.6059 126.8221 54.8835 30.2650 177.2812 46 L 3.9395 8.9998 126.9106 57.6415 41.8979 179.7102 47 S 4.2011 8.0738 111.6202 60.3136 62.9504 174.4320 48 E 4.5112 7.9751 119.4873 56.2950 29.6577 176.1123 49 L 4.7240 8.0564 118.5156 54.3818 42.7348 178.1297 50 I 3.7335 8.0129 120.6296 64.0876 37.1483 175.3970 51 P 4.4091 0.0000 0.0000 65.9799 31.3483 177.3097 52 D 4.5137 8.1248 118.3712 57.1178 40.9199 177.6194 53 L 4.2363 7.7812 117.7084 55.6045 41.0466 178.2441 *55 T 4.3738 8.1027 117.1651 63.7535 70.2631 177.2117 56 A 4.3515 7.8996 124.4194 51.5649 17.2362 178.0313 *58 T 4.2274 7.9064 107.4932 62.2498 70.2783 173.7999 59 T 4.2089 7.5737 115.9140 63.1885 72.2377 174.5905 60 R 3.8246 8.8062 124.5169 58.4237 29.5268 177.0023 61 V 3.8642 7.4485 118.3547 62.1577 32.3669 174.8488 62 H 4.6905 8.3585 124.1456 54.8617 29.9898 175.6769 63 T 4.1751 8.1521 113.1772 61.8414 70.7503 175.7309 64 T 3.8797 8.2835 117.4417 66.5132 68.3486 176.8896 65 K 3.9059 8.0276 121.1728 59.4899 32.2316 178.4525 66 L 3.9836 7.9235 120.4917 58.0228 41.9813 178.3936 67 E 3.9082 8.3596 119.3904 59.3773 29.5255 178.7249 68 E 4.0414 8.2773 118.6772 59.1588 29.5627 179.3308 69 I 3.7649 7.6221 120.0811 64.5962 37.1388 178.6272 70 T 3.9575 8.0489 110.6991 64.7714 68.7038 176.9409 71 S 4.0553 7.9589 117.5060 61.2386 62.6271 176.4408 72 A 3.9810 7.8642 122.3620 55.0693 18.3697 178.8550 73 L 4.0082 7.9647 118.7350 58.9019 41.9150 179.4252 74 S 4.2158 8.2137 113.9118 61.5288 62.8728 176.2358 75 A 4.2377 7.6237 121.2651 52.9621 18.5908 177.8922 76 S 4.4755 7.2441 112.7295 58.4327 63.5430 173.9024 77 D 4.7171 8.6307 121.7508 56.1933 41.6909 177.0815 78 G 4.3586 7.8453 103.4003 44.6060 0.0000 171.2877 79 L 5.4038 8.8700 121.1118 53.2378 46.1795 175.0557 80 V 4.9017 8.7928 124.4969 61.2151 34.8211 174.4534 81 V 5.1834 8.8291 120.2055 59.6146 35.1003 174.5181 82 A 5.5271 9.1500 125.7742 49.5191 22.6712 174.7159 83 T 4.3106 7.8362 113.7710 60.0087 71.0852 171.3227 84 P 4.7161 0.0000 0.0000 62.1265 32.8777 175.9120 85 V 4.4037 7.7626 120.4294 61.7082 32.5505 174.9844 86 F 5.1989 8.8996 127.5429 57.0472 41.2080 176.3236 87 K 4.1114 9.6668 123.8094 57.8435 29.4481 174.4344 88 A 3.4228 7.9676 112.7230 52.7773 16.6413 177.3372 89 S 4.3945 7.3589 112.9430 59.5969 66.2071 174.4540 90 Y 4.5611 7.8308 118.5796 56.7584 38.6369 175.9674 91 T 4.3389 8.1767 117.9867 63.1662 70.1499 176.2197 92 G 3.8440 8.9595 111.7421 48.1221 0.0000 175.4028 93 L 4.2067 8.0322 121.2135 57.7510 42.0309 178.3489 94 F 4.4090 8.2248 120.1521 61.1328 39.3691 178.5337 95 K 3.5706 8.2643 118.4835 56.5917 32.5451 178.1283 *97 F 4.4105 8.0607 120.6897 57.6644 41.1850 176.9461 98 F 3.9351 7.6647 118.4550 60.2649 38.9971 177.4199 99 D 4.4044 8.4149 120.4957 57.4558 40.6156 177.9961 100 I 3.8064 6.9818 116.9237 63.1336 37.2463 176.5222 101 L 4.1106 7.0362 120.3026 53.7730 42.4002 176.6547 102 D 4.5508 8.2413 120.8526 54.3553 41.6205 177.5535 103 T 3.8318 8.6722 119.2475 66.8449 68.1642 174.8375 104 D 4.7903 8.1856 117.4660 52.2181 39.7199 177.8419 105 A 4.0118 7.9684 125.3056 55.0616 18.3444 179.1931 106 L 4.7423 7.6620 112.1433 54.4651 42.5175 176.4441 107 T 3.5487 7.5001 116.2955 65.2179 68.6179 169.7182 108 G 3.6159 8.7789 122.3998 44.4011 0.0000 170.7913 *110 P 4.4562 0.0000 0.0000 62.2908 33.1864 176.1024 111 T 5.3461 8.8631 119.3739 62.2015 73.7498 172.6686 112 I 4.8028 8.8046 125.8693 59.4970 40.0184 174.4977 113 I 4.8295 8.4034 120.3252 59.5241 39.8487 174.4978 114 A 5.7964 9.3332 125.9818 49.7455 23.0704 174.4849 115 A 4.8899 8.1500 118.9173 51.1589 22.9918 175.2454 116 T 4.5553 8.0773 113.3717 60.4701 71.4940 172.4129 117 A 4.0457 8.1195 126.2325 51.2693 23.2615 176.6218 118 G 3.6339 8.7665 106.2299 48.7882 0.0000 176.2186 119 S 4.7506 7.7287 116.0190 56.4320 65.6203 173.7799 120 A 4.7460 8.1825 120.7792 51.9723 19.0121 178.7091 121 R 3.9797 7.6656 114.7650 59.0056 29.8553 177.3130 122 H 4.9459 7.7832 115.6632 55.5209 29.4562 176.2853 123 S 2.0000 7.3620 118.2985 60.3414 62.5968 175.3560 124 L 4.1918 7.5973 121.2774 55.9375 41.5157 178.9350 125 V 3.7409 7.6077 120.0512 64.5078 31.1976 178.3599 126 L 4.0441 7.9478 120.0425 57.7545 41.2996 178.6905 127 D 4.4348 7.8772 116.0957 55.4928 41.3231 177.2385 128 Y 4.7620 7.7105 114.5852 57.9463 38.5658 175.1835 129 A 4.5535 8.0097 121.6505 53.0564 21.5046 178.6581 130 L 4.2349 8.0152 114.3382 57.5735 41.8304 179.7106 131 R 3.8757 8.1769 118.6965 59.1405 30.0353 176.8360 132 P 4.2914 0.0000 0.0000 65.3353 31.0615 178.3417 133 L 3.9922 7.5806 118.5207 58.3905 42.3795 178.9352 134 L 4.1152 8.1560 118.8979 57.6315 41.2491 179.8550 135 S 4.1788 8.1204 114.9442 61.2953 63.0194 177.1528 136 Y 4.3449 8.1150 123.3537 57.3245 38.9490 176.5336 *138 R 4.3118 7.9257 113.7497 55.4772 32.6357 175.5970 139 A 4.7045 8.2953 120.9147 51.6146 19.9749 178.9778 140 V 4.0525 8.2353 120.1399 60.3284 32.7075 175.0097 141 V 4.4598 8.1944 126.8494 61.9302 31.9106 176.1922 142 V 3.7707 8.5051 122.1814 61.0512 31.6963 174.8270 143 P 4.2292 0.0000 0.0000 66.0213 31.2871 177.1287 144 T 4.1143 8.4837 116.9473 63.0626 67.4283 174.3796 145 G 4.0609 8.3528 113.8291 45.2853 0.0000 171.6290 146 V 4.5486 8.6950 122.0217 60.8671 33.8412 174.2380 147 F 5.0954 9.2279 130.4469 56.3086 41.3803 174.4686 148 A 3.9031 8.7153 130.3033 51.1472 19.6343 176.2010 149 A 4.6184 7.8625 125.4354 51.2421 19.5705 177.3332 150 T 2.5306 8.3873 119.8786 67.4101 68.6902 177.0860 151 E 3.8719 7.7705 118.6447 58.6979 29.4856 177.4595 152 D 4.8014 7.7228 117.8617 53.9254 41.0970 176.5270 153 F 4.8057 7.3848 118.2701 58.0858 40.0345 176.6208 154 G 4.0421 8.8033 107.4759 46.8201 0.0000 175.1974 155 G 4.1844 8.3369 108.1067 44.3632 0.0000 171.9269 156 P 4.2633 0.0000 0.0000 65.9118 31.1103 178.1128 157 E 4.1032 8.3482 116.6715 59.6358 29.4422 179.3376 158 G 3.9044 8.1937 105.0883 48.2328 0.0000 175.3979 159 A 4.0862 8.2989 122.9155 54.6523 18.4576 179.2901 160 E 3.9912 8.5035 118.2302 58.9080 29.6132 178.8490 161 F 4.2924 8.5940 121.4153 61.5128 39.6327 176.9781 162 N 4.1106 8.4344 116.0981 56.0221 38.2145 177.3365 163 K 3.9195 7.7474 121.4097 59.3083 32.2492 178.9226 164 R 3.8177 7.7322 118.8730 59.4642 29.9755 178.4936 165 I 3.5373 7.5680 119.5081 64.2547 36.9353 178.3002 166 A 3.9351 7.8346 121.5290 54.9495 18.1749 179.6453 167 R 3.7677 7.8579 117.0289 59.5676 30.2142 178.6164 168 A 3.9580 8.4122 120.7485 55.0482 18.3685 179.3809 169 A 4.0138 8.3494 119.8567 55.2304 18.3815 180.1029 170 G 3.5311 8.4222 104.5495 47.9109 0.0000 175.5689 171 E 3.9591 8.0839 121.3299 59.0715 29.4757 179.3692 172 L 3.8943 7.8732 119.7442 58.1635 42.2562 178.5695 173 A 4.0008 8.4690 121.0473 55.5212 18.0164 179.7650 174 S 4.0923 8.2057 112.7363 61.8333 62.7306 176.7072 175 L 4.1554 7.8186 121.1942 57.6365 41.3538 179.6927 176 I 3.7549 8.0794 120.2977 64.4276 36.9585 178.3993 177 V 3.9854 7.6186 110.0138 62.6236 31.5577 177.5163 178 E 4.1513 7.5695 118.9226 57.6519 29.8728 176.8234 179 E 4.0324 7.3490 117.5047 56.3600 30.0781 176.7998 180 S 4.3441 8.5850 117.0224 58.3541 62.4941 173.4725 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 H 8.44 4.52 0.00 3.09 3.41 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 7.48 4.49 0.00 2.02 1.88 0.00 3.20 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 3 T 9.55 5.04 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 1.22 0.00 0.00 4 L 9.00 4.99 0.00 1.72 1.53 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.84 4.95 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 6 V 8.56 4.84 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 0.97 0.00 0.00 0.93 0.00 0.00 7 I 8.94 4.67 1.90 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.41 0.00 0.00 8 S 8.99 5.09 0.00 3.84 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 9 A 8.14 4.78 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 10 G 8.29 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 11 L 8.31 4.60 0.00 1.76 1.79 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.91 4.53 0.00 3.99 3.84 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 13 T 8.02 4.51 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 1.23 0.00 0.00 14 P 0.00 4.35 0.00 2.21 2.11 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 15 S 8.29 4.66 0.00 4.09 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 16 S 8.56 4.43 0.00 3.90 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 17 T 7.84 3.81 4.20 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 1.16 0.00 0.00 18 R 8.09 3.99 0.00 2.00 2.06 0.00 3.19 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 19 Q 8.27 3.97 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 20 I 8.02 3.78 1.99 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 1.00 0.00 0.00 21 A 8.21 4.09 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 22 D 8.21 4.46 0.00 2.93 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 23 S 8.16 4.08 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.17 3.65 2.00 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 1.52 0.89 0.89 0.00 0.00 25 S 8.17 4.12 0.00 4.04 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 26 E 8.73 3.90 0.00 2.22 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 2.31 2.31 0.00 27 A 7.95 3.97 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 28 V 8.09 3.58 2.20 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 1.02 0.00 0.00 1.02 0.00 0.00 29 T 8.10 3.86 4.39 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 1.20 0.00 0.00 30 A 8.18 3.98 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 31 A 8.07 3.96 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 32 V 8.03 3.61 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 1.10 0.00 0.00 0.99 0.00 0.00 33 S 8.43 4.83 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.82 4.27 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 35 R 7.41 4.41 0.00 1.87 1.95 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 G 8.50 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.43 4.69 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 38 A 8.28 4.93 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 39 L 8.33 4.86 0.00 1.62 1.53 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.30 4.70 0.00 3.88 3.72 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 41 V 8.37 4.71 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 0.74 0.00 0.00 0.92 0.00 0.00 42 S 8.90 4.62 0.00 3.91 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 43 T 8.41 5.05 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 1.18 0.00 0.00 44 I 8.86 4.43 1.69 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 1.16 0.67 0.75 0.00 0.00 45 E 8.61 4.68 0.00 2.04 1.86 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 2.32 2.26 0.00 46 L 9.00 3.94 0.00 1.67 1.71 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 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0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.21 4.22 0.00 3.86 3.92 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 0.00 0.00 0.00 75 A 7.62 4.24 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 76 S 7.24 4.48 0.00 3.96 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 77 D 8.63 4.72 0.00 2.76 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 78 G 7.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.87 5.40 0.00 1.78 1.65 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.79 4.90 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 1.03 0.00 0.00 0.94 0.00 0.00 81 V 8.83 5.18 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 1.03 0.00 0.00 1.19 0.00 0.00 82 A 9.15 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0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 126 L 7.95 4.04 0.00 1.81 1.79 1.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 127 D 7.88 4.43 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.71 4.76 0.00 3.07 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 0.00 129 A 8.01 4.55 1.09 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 0.00 0.00 0.00 130 L 8.02 4.23 0.00 1.99 1.82 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.18 3.88 0.00 2.08 2.05 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 132 P 0.00 4.29 0.00 2.27 2.14 0.00 3.85 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 2.24 2.23 0.00 133 L 7.58 3.99 0.00 1.77 1.89 0.89 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.16 4.12 0.00 1.69 1.72 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.12 4.18 0.00 4.13 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 0.00 136 Y 8.12 4.34 0.00 2.99 3.22 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 *138 R 7.93 4.31 0.00 1.78 1.92 0.00 3.08 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 139 A 8.30 4.70 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.24 4.05 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 0.76 0.00 0.00 0.94 0.00 0.00 141 V 8.19 4.46 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 0.87 0.00 0.00 0.95 0.00 0.00 142 V 8.51 3.77 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 0.71 0.00 0.00 1.07 0.00 0.00 143 P 0.00 4.23 0.00 2.03 2.12 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 144 T 8.48 4.11 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 1.27 0.00 0.00 145 G 8.35 4.06 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 0.00 0.00 0.00 146 V 8.69 4.55 2.13 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 0.97 0.00 0.00 0.90 0.00 0.00 147 F 9.23 5.10 0.00 3.13 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 0.00 148 A 8.72 3.90 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 0.00 149 A 7.86 4.62 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.39 2.53 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 151 E 7.77 3.87 0.00 1.93 1.93 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 2.28 2.18 0.00 152 D 7.72 4.80 0.00 2.50 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 0.00 153 F 7.38 4.81 0.00 2.98 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 0.00 154 G 8.80 4.04 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 0.00 0.00 0.00 155 G 8.34 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 0.00 0.00 0.00 0.00 156 P 0.00 4.26 0.00 2.19 2.15 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 157 E 8.35 4.10 0.00 2.05 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 2.44 2.41 0.00 158 G 8.19 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 0.00 159 A 8.30 4.09 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 0.00 160 E 8.50 3.99 0.00 2.39 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 2.34 2.50 0.00 161 F 8.59 4.29 0.00 3.31 3.37 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 0.00 162 N 8.43 4.11 0.00 2.77 2.80 0.00 0.00 6.73 6.50 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 0.00 163 K 7.75 3.92 0.00 2.03 1.95 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.48 7.81 164 R 7.73 3.82 0.00 2.06 1.93 0.00 3.26 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 165 I 7.57 3.54 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.17 0.78 0.00 0.00 166 A 7.83 3.94 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 0.00 167 R 7.86 3.77 0.00 2.01 2.04 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 168 A 8.41 3.96 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 0.00 169 A 8.35 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 0.00 170 G 8.42 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 0.00 0.00 0.00 171 E 8.08 3.96 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 2.33 2.66 0.00 172 L 7.87 3.89 0.00 1.78 1.80 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.47 4.00 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 0.00 174 S 8.21 4.09 0.00 3.99 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 0.00 175 L 7.82 4.16 0.00 1.91 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 176 I 8.08 3.75 2.01 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 1.53 1.29 0.91 0.00 0.00 177 V 7.62 3.99 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 0.76 0.00 0.00 1.03 0.00 0.00 178 E 7.57 4.15 0.00 2.18 2.20 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 2.31 2.34 0.00 179 E 7.35 4.03 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 180 S 8.59 4.34 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.