NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4118 0.0000 0.0000 62.4410 33.8030 178.1083 4 L 3.8142 7.8261 119.3755 56.3326 41.8189 177.5646 5 T 3.8720 7.8527 110.2314 65.0899 69.1359 176.1724 6 V 3.6623 7.9242 123.0436 63.9462 31.2350 177.3273 7 Y 4.1089 8.2382 121.3761 61.2142 38.8613 178.4639 8 K 4.3250 8.3464 124.3110 60.2674 31.7885 180.5965 9 N 4.6457 8.1602 117.6813 56.1176 38.3210 177.3744 10 S 4.3361 8.2768 117.3520 60.7226 63.0318 176.3497 11 V 3.4684 8.1279 122.8441 65.3435 31.2417 178.2204 12 K 3.9485 8.1328 118.9511 59.6959 31.9287 178.9011 13 Q 4.0435 8.0241 118.3694 58.7770 28.6218 178.3571 14 Q 3.9603 8.8084 121.2161 59.1793 29.1251 178.2294 15 I 3.9731 8.1251 121.0669 63.9880 37.0504 177.9123 16 D 4.4402 8.1193 119.7794 56.6373 40.9640 178.8240 17 S 4.0103 8.3692 113.7389 61.2521 61.9419 175.6889 18 A 3.9738 8.2441 123.9294 55.5455 17.9974 179.4606 19 D 4.2624 8.0428 116.8456 57.3789 40.9937 178.3546 20 L 3.9080 8.3228 121.3095 58.3261 41.9659 178.8202 21 L 3.8924 7.8189 119.6609 58.2751 42.0869 179.0184 22 V 3.5823 7.4784 116.9547 66.0729 31.5561 177.8026 23 A 4.0782 8.4417 120.7900 55.1092 18.2280 179.0422 24 N 4.4056 8.1488 115.5771 56.6294 38.8003 176.8368 25 L 3.9960 7.8761 120.6462 57.1707 41.6935 178.9977 26 V 3.7909 7.9720 117.8890 66.4508 31.5414 177.7055 27 N 4.4927 8.1236 115.8212 57.1571 38.7557 176.6407 28 E 4.0560 8.1501 119.5869 59.3146 29.2838 178.8517 29 N 4.3150 8.9197 117.7194 56.4531 39.2145 176.7905 30 F 4.2191 8.3615 119.5675 60.4704 39.1183 177.3901 31 V 3.9368 7.8971 119.0013 65.6080 31.2602 178.2301 32 L 4.0031 8.0121 118.3405 57.8907 41.5076 179.4211 33 S 4.1335 8.0750 113.3833 61.1195 62.0074 176.1121 34 E 3.9952 8.1277 119.9734 59.4997 28.6806 179.1227 35 K 3.9582 8.2154 119.5754 58.4622 32.0883 178.7451 36 L 4.3993 7.7555 120.4914 57.4106 41.7787 178.1248 37 D 4.3313 8.1762 118.1797 57.4707 40.6899 178.0846 38 T 3.9284 8.0875 113.3901 64.6308 67.2086 176.3021 39 K 4.0274 7.5256 120.9853 59.1789 31.8755 178.9477 40 A 4.0441 8.0075 120.8717 54.8770 18.1726 179.5598 41 T 4.0131 7.6054 107.8358 64.6216 69.3672 177.1201 42 E 4.2627 7.8397 121.8281 58.2680 29.2809 179.2706 43 I 3.7097 7.9464 119.1299 63.8633 38.2146 177.7042 44 K 3.8983 7.7138 120.1491 59.6637 32.1071 178.8017 45 Q 3.9983 8.1705 118.2130 58.9387 28.5814 178.6416 46 L 4.9043 7.9365 121.3440 57.4094 41.6507 179.2285 47 Q 3.9512 8.3888 119.8129 59.1378 28.8801 178.7326 48 K 3.9383 7.9152 118.8305 59.5816 32.1391 179.1766 49 Q 3.9950 8.0842 118.2349 59.1462 28.5827 179.1830 50 I 3.6797 7.9975 120.7733 64.5609 37.2289 178.0981 51 D 4.3593 8.0291 119.5319 57.5437 40.4379 179.1463 52 S 4.1104 7.9972 114.3018 61.7028 63.2121 176.4367 53 L 4.1351 8.1853 121.8207 57.7752 41.2603 179.3293 54 N 4.2706 8.4600 116.3631 56.4315 38.5670 177.0516 55 A 3.9707 7.9215 121.8878 55.3209 18.1677 179.5761 56 Q 3.8418 7.9413 117.8759 59.2942 29.3803 178.1761 57 V 3.5698 7.7537 118.6283 66.0831 31.6969 177.8110 58 K 3.9110 8.1502 118.0052 59.6580 31.9757 178.9506 59 E 3.9731 8.2930 119.3440 59.2973 29.5580 178.8498 60 L 4.0639 8.2893 119.2779 57.5214 41.7253 179.5901 61 K 4.0772 7.9313 118.7007 59.2369 31.9237 179.5689 62 T 3.9177 7.8399 109.8518 64.9882 69.0180 176.8708 63 Q 4.1182 8.0120 121.2455 58.8412 28.8261 178.8152 64 T 4.2098 7.8426 115.3755 64.6401 67.4921 176.6105 65 S 4.2610 8.0823 116.6176 61.0926 62.9336 176.7070 66 Q 4.0112 8.2919 121.6094 59.0193 28.2212 178.4939 67 Q 4.0032 8.0226 118.4404 58.7558 28.6302 178.5047 68 A 4.0720 7.8929 121.4014 55.2476 18.4202 179.3136 69 E 3.9119 7.9253 116.4323 59.7439 29.5994 179.2647 70 N 4.3114 7.9953 115.8023 56.7408 38.6122 177.4447 71 S 4.1696 8.2131 116.2646 61.7492 62.9081 176.8264 72 E 3.9481 8.5343 121.3997 59.3604 29.1868 179.2724 73 V 3.5956 7.8111 118.1226 66.2910 31.5121 177.9361 74 I 3.7623 7.8545 119.1483 64.3964 36.9111 178.4459 75 K 4.0006 8.3526 119.3248 59.8566 31.8799 178.8753 76 D 4.3989 8.6830 119.2956 57.4535 40.7451 178.7770 77 L 4.0744 8.2569 120.7218 58.5959 42.1138 178.3843 78 Y 3.9719 8.2876 116.6131 61.3166 37.7666 178.5786 79 E 3.8433 8.5312 120.0951 59.5979 29.4636 178.4041 80 Y 4.2439 7.5125 114.9530 59.7918 38.0992 176.6662 81 L 4.5501 7.8659 119.7756 55.4415 43.4175 176.3853 82 C 4.8706 8.5969 114.0377 58.4777 29.8887 173.6375 83 N 4.8657 8.5746 115.8278 52.4809 36.0411 173.6615 84 V 5.0469 7.4757 114.9773 60.1511 34.7716 174.4718 85 R 4.5196 9.0791 124.4739 54.3934 33.3128 174.2923 86 V 4.4123 8.1456 125.9663 62.2358 31.6338 175.2453 87 H 4.3516 8.8281 126.0026 58.5369 28.9075 175.5381 88 K 4.6745 7.6651 116.7783 55.8264 35.9671 173.6408 89 S 4.9663 7.9892 113.2932 57.8300 65.6360 173.2026 90 Y 4.8873 7.8675 120.3388 56.3872 42.1856 174.6453 91 E 5.4270 8.9190 119.4448 54.1087 31.0943 174.4906 92 D 4.5954 8.9007 122.4861 52.7164 39.7541 178.8971 93 D 4.0427 8.8407 127.8428 55.6491 41.5059 174.6805 94 S 4.3715 8.9988 116.7508 60.2245 62.9956 173.1088 95 G 4.3256 8.8949 116.2009 44.9752 0.0000 171.3114 96 L 5.3498 7.9448 122.3128 53.2280 43.4195 175.2445 97 W 6.0174 7.8450 118.4061 54.0039 34.0322 174.1814 98 F 5.3720 8.6170 119.9707 54.7594 42.7289 174.0239 99 D 5.0665 8.8278 123.3118 54.4754 42.4429 175.3807 100 I 5.0306 8.8032 121.7276 59.7408 42.0257 174.6290 101 S 4.9826 9.0295 121.1395 57.0358 65.6924 172.8844 102 Q 4.9119 9.5160 126.2050 55.5317 31.8607 173.1742 103 G 3.7265 8.4138 115.8440 44.7111 0.0000 175.7292 *116 M 4.2789 9.0855 126.4922 55.4009 34.2669 173.4004 117 D 5.1265 8.7236 126.5565 54.3115 42.9669 175.2691 118 Y 5.4466 8.1851 119.5819 56.3810 41.9645 172.8563 119 K 5.3656 8.8475 119.7374 54.7855 35.6739 175.3100 120 L 5.2534 9.2107 124.8276 53.0312 45.2340 175.6774 121 G 3.0783 8.7258 110.5095 43.8547 0.0000 172.1641 122 F 4.9956 8.2818 121.1498 55.6596 41.5206 175.5645 123 V 4.0661 8.2314 124.0916 63.7931 34.0829 175.5026 *130 T 4.4265 7.7554 108.2928 61.8784 69.8263 172.9220 131 E 4.6802 8.1048 121.8025 55.4073 33.9204 173.8540 132 V 4.1809 8.2739 123.2366 60.9127 35.5142 174.3141 133 I 4.7601 7.6697 124.7537 59.7581 40.8087 174.5914 134 Y 5.0367 8.1234 127.6217 56.8107 41.2998 174.1840 135 A 4.2568 7.0508 117.4246 50.0238 21.0521 173.2472 136 P 4.2568 0.0000 0.0000 63.7663 32.4093 176.2697 137 V 4.2423 8.7785 123.1280 60.8465 33.0399 174.7118 138 L 4.8598 8.1165 128.3491 54.2546 42.9217 178.1947 139 K 4.0226 8.3426 122.7583 59.2383 32.2204 176.6176 140 Q 4.3923 7.6037 115.6678 54.8111 30.8222 174.4240 141 R 4.3197 8.4894 119.3207 55.2047 33.2450 174.8289 142 S 4.1348 8.4020 120.7026 59.2858 63.5931 175.7353 143 T 3.9369 8.9891 116.6018 65.2515 68.1840 175.6637 144 E 4.0765 8.4229 119.5696 59.5545 29.1594 179.1615 145 E 3.9618 8.6029 119.4555 59.1658 29.8813 178.9052 146 L 3.6726 8.0184 119.4618 57.7641 41.7834 177.7426 147 Y 4.3326 7.8005 115.1813 59.5676 38.8205 177.5282 148 S 4.1741 7.9667 113.9961 61.6502 62.4069 176.4243 149 L 4.2075 8.8482 122.4239 57.7391 41.1931 179.3777 150 Q 4.1269 7.5579 115.5333 58.6047 28.5345 178.0712 151 S 4.3780 7.7318 115.9436 60.5639 63.5170 175.8564 152 K 4.2863 7.5661 119.4779 56.2038 32.3840 176.7765 153 L 4.5142 7.5306 119.3190 51.7972 43.2863 174.5291 154 P 4.1135 0.0000 0.0000 63.3885 31.9827 176.8881 155 E 3.9735 8.7660 122.9610 59.8872 29.6716 179.2169 156 Y 4.7086 7.7441 115.3259 58.7031 38.0629 177.2346 157 L 4.5349 7.4868 119.6238 55.5111 41.5021 177.0664 158 F 4.8995 8.2552 116.3936 57.0334 39.3461 175.0074 159 E 4.8514 8.2333 120.3388 54.3055 33.1909 175.0948 160 T 4.1213 8.5439 118.2372 64.5976 69.4354 173.1154 161 L 5.0111 8.3720 122.5521 53.6582 47.0327 175.2743 162 S 4.9889 8.5490 113.3495 58.1477 64.9853 173.2819 163 F 5.1576 7.5014 121.2112 54.3541 41.8876 172.2584 164 P 4.7340 0.0000 0.0000 62.0607 32.2745 177.0004 165 L 4.0487 8.6191 120.9139 58.7242 41.6341 179.4098 166 S 4.2980 8.1956 113.5668 61.1533 63.0259 175.7318 167 S 4.4799 8.1052 116.3454 58.9116 62.8916 175.5505 168 L 3.9739 8.1879 124.7103 58.4008 41.8431 177.9781 169 N 4.2790 8.3189 116.0714 57.1410 38.5280 176.7052 170 Q 3.9908 7.9906 117.7900 59.0498 29.1869 177.7893 171 F 4.0265 8.1298 121.5057 61.4754 39.2616 176.1563 172 Y 4.1025 8.4982 118.8680 61.1741 38.5219 178.4597 173 N 4.2690 8.3514 116.9508 56.2001 38.4334 177.2856 174 K 3.7778 7.8834 120.9596 59.5030 32.3290 178.9814 175 I 3.4053 7.1137 119.3866 63.8848 36.8214 178.0778 176 A 3.7530 7.2139 120.6858 55.1261 18.2984 179.6008 177 K 3.9580 7.8514 115.7271 59.4888 32.1104 179.2161 178 S 4.3122 7.5131 114.1508 60.0150 63.0294 174.7812 179 L 4.3481 7.3893 125.3221 54.7425 41.7275 176.1495 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 3 P 0.00 4.41 0.00 2.21 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 4 L 7.83 3.81 0.00 1.77 1.64 0.55 0.27 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 5 T 7.85 3.87 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 1.25 0.00 0.00 6 V 7.92 3.66 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 7 Y 8.24 4.11 0.00 2.99 3.08 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 8 K 8.35 4.33 0.00 1.82 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 N 8.16 4.65 0.00 2.98 2.92 0.00 0.00 6.81 6.78 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 10 S 8.28 4.34 0.00 3.98 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 0.00 11 V 8.13 3.47 2.21 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 1.13 0.00 0.00 0.84 0.00 0.00 12 K 8.13 3.95 0.00 2.12 1.90 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 13 Q 8.02 4.04 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 14 Q 8.81 3.96 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 15 I 8.13 3.97 2.02 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 1.53 0.92 0.92 0.00 0.00 16 D 8.12 4.44 0.00 2.71 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 17 S 8.37 4.01 0.00 3.93 3.88 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 18 A 8.24 3.97 1.42 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 0.00 0.00 0.00 19 D 8.04 4.26 0.00 2.79 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 20 L 8.32 3.91 0.00 1.70 1.81 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.82 3.89 0.00 1.82 1.78 0.92 0.92 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 22 V 7.48 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 0.97 0.00 0.00 0.99 0.00 0.00 23 A 8.44 4.08 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 24 N 8.15 4.41 0.00 3.04 2.89 0.00 0.00 7.12 6.69 0.00 0.00 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 L 7.88 4.00 0.00 1.91 1.64 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.97 3.79 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 1.28 0.00 0.00 1.01 0.00 0.00 27 N 8.12 4.49 0.00 3.03 2.88 0.00 0.00 7.32 7.28 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 28 E 8.15 4.06 0.00 2.29 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 2.59 0.00 29 N 8.92 4.32 0.00 2.46 2.78 0.00 0.00 7.26 6.90 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 30 F 8.36 4.22 0.00 3.27 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 31 V 7.90 3.94 2.12 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 1.42 0.00 0.00 1.06 0.00 0.00 32 L 8.01 4.00 0.00 1.74 1.70 0.91 0.75 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 33 S 8.07 4.13 0.00 3.94 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 E 8.13 4.00 0.00 2.26 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 0.00 2.56 2.42 0.00 35 K 8.22 3.96 0.00 2.05 1.92 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.58 7.81 36 L 7.76 4.40 0.00 1.80 1.84 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.18 4.33 0.00 2.95 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 38 T 8.09 3.93 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 1.30 0.00 0.00 39 K 7.53 4.03 0.00 2.13 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.60 7.81 40 A 8.01 4.04 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 41 T 7.61 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 1.22 0.00 0.00 42 E 7.84 4.26 0.00 2.20 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 2.33 2.18 0.00 43 I 7.95 3.71 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 1.41 1.63 0.96 0.00 0.00 44 K 7.71 3.90 0.00 2.07 1.79 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 45 Q 8.17 4.00 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 46 L 7.94 4.90 0.00 1.84 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.39 3.95 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 48 K 7.92 3.94 0.00 2.04 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.78 7.81 49 Q 8.08 4.00 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 50 I 8.00 3.68 2.01 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 0.80 0.91 0.00 0.00 51 D 8.03 4.36 0.00 2.86 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 52 S 8.00 4.11 0.00 3.98 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 53 L 8.19 4.14 0.00 1.79 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.46 4.27 0.00 2.90 2.87 0.00 0.00 6.86 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 55 A 7.92 3.97 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 56 Q 7.94 3.84 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 57 V 7.75 3.57 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 1.02 0.00 0.00 0.93 0.00 0.00 58 K 8.15 3.91 0.00 1.93 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 E 8.29 3.97 0.00 2.04 2.12 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 2.31 2.35 0.00 60 L 8.29 4.06 0.00 1.98 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.93 4.08 0.00 2.04 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 62 T 7.84 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 63 Q 8.01 4.12 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 64 T 7.84 4.21 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 1.27 0.00 0.00 65 S 8.08 4.26 0.00 4.13 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 66 Q 8.29 4.01 0.00 2.31 2.14 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 2.38 2.57 0.00 67 Q 8.02 4.00 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 68 A 7.89 4.07 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 69 E 7.93 3.91 0.00 2.34 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 2.35 2.54 0.00 70 N 8.00 4.31 0.00 2.95 2.88 0.00 0.00 7.08 7.02 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 71 S 8.21 4.17 0.00 4.01 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 72 E 8.53 3.95 0.00 2.22 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 2.34 2.48 0.00 73 V 7.81 3.60 2.29 0.00 0.00 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 1.00 0.00 0.00 74 I 7.85 3.76 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.45 1.12 0.00 0.00 75 K 8.35 4.00 0.00 2.04 1.87 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 76 D 8.68 4.40 0.00 2.94 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 77 L 8.26 4.07 0.00 1.79 1.88 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.29 3.97 0.00 3.19 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 79 E 8.53 3.84 0.00 1.89 1.65 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 2.01 2.23 0.00 80 Y 7.51 4.24 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.87 4.55 0.00 1.60 1.67 0.91 0.53 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 82 C 8.60 4.87 0.00 3.24 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 83 N 8.57 4.87 0.00 2.92 3.03 0.00 0.00 7.10 7.68 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 84 V 7.48 5.05 2.35 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 0.83 0.00 0.00 1.04 0.00 0.00 85 R 9.08 4.52 0.00 1.77 1.66 0.00 2.94 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.38 0.00 86 V 8.15 4.41 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 0.81 0.00 0.00 0.82 0.00 0.00 87 H 8.83 4.35 0.00 3.14 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.67 4.67 0.00 1.76 1.43 0.00 1.81 0.00 0.00 2.04 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.38 7.81 89 S 7.99 4.97 0.00 3.63 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 90 Y 7.87 4.89 0.00 2.95 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 91 E 8.92 5.43 0.00 1.82 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 2.16 2.13 0.00 92 D 8.90 4.60 0.00 2.83 2.77 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 93 D 8.84 4.04 0.00 2.78 2.53 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 94 S 9.00 4.37 0.00 3.90 3.83 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 95 G 8.89 4.33 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 0.00 96 L 7.94 5.35 0.00 1.48 1.70 0.87 1.21 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 97 W 7.85 6.02 0.00 3.47 3.20 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 0.00 149 L 8.85 4.21 0.00 1.83 1.93 1.01 0.71 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 0.00 150 Q 7.56 4.13 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 151 S 7.73 4.38 0.00 4.02 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 0.00 152 K 7.57 4.29 0.00 1.81 2.07 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 153 L 7.53 4.51 0.00 1.87 1.38 0.52 0.70 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 0.00 154 P 0.00 4.11 0.00 1.27 1.82 0.00 3.40 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 1.96 2.06 0.00 155 E 8.77 3.97 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 2.44 2.40 0.00 156 Y 7.74 4.71 0.00 3.23 3.35 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 0.00 157 L 7.49 4.53 0.00 1.05 1.33 0.54 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.26 4.90 0.00 3.17 3.03 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 0.00 159 E 8.23 4.85 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 2.38 2.56 0.00 160 T 8.54 4.12 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 1.31 0.00 0.00 161 L 8.37 5.01 0.00 1.74 1.65 1.29 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.55 4.99 0.00 3.72 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 0.00 163 F 7.50 5.16 0.00 3.00 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 0.00 164 P 0.00 4.73 0.00 2.28 2.24 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 165 L 8.62 4.05 0.00 1.85 1.78 1.12 0.99 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 0.00 166 S 8.20 4.30 0.00 3.90 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 0.00 167 S 8.11 4.48 0.00 4.05 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 0.00 168 L 8.19 3.97 0.00 1.99 1.84 1.23 0.57 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 0.00 169 N 8.32 4.28 0.00 2.84 2.86 0.00 0.00 7.02 6.94 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 0.00 170 Q 7.99 3.99 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 171 F 8.13 4.03 0.00 2.41 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 0.00 172 Y 8.50 4.10 0.00 3.20 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 0.00 173 N 8.35 4.27 0.00 2.98 2.85 0.00 0.00 6.72 7.89 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 0.00 174 K 7.88 3.78 0.00 1.69 1.55 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.43 7.81 175 I 7.11 3.41 1.72 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.20 0.69 0.00 0.00 176 A 7.21 3.75 0.96 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 0.00 177 K 7.85 3.96 0.00 1.64 1.83 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.59 7.81 178 S 7.51 4.31 0.00 3.67 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 0.00 179 L 7.39 4.35 0.00 1.74 1.51 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.