NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 F 4.6084 8.3244 119.4239 57.7497 40.5429 173.6465 7 E 4.5801 8.3237 121.4571 55.1986 33.1069 172.3757 8 T 4.7166 9.3830 125.2751 63.0843 69.0728 174.4923 9 I 4.1272 9.2636 129.6993 63.9874 37.9697 177.0723 10 S 4.6824 7.8380 114.6268 57.2758 66.0333 173.2764 11 S 5.4535 8.6450 118.6077 56.0924 65.4130 173.2159 12 E 4.6071 8.8587 123.9834 54.8109 32.9247 174.2580 13 T 4.4877 8.6852 124.2812 63.7368 68.4895 174.4696 14 L 4.4154 8.8703 127.4490 56.9630 43.0338 176.6938 15 H 4.6436 7.6614 114.7248 55.7933 33.2469 173.1742 16 T 4.7636 8.3675 120.5673 61.8862 70.9068 173.4719 17 G 4.0553 8.6389 118.4705 43.7839 0.0000 171.9971 18 A 4.1044 8.5534 121.6483 54.9953 18.3865 179.0005 19 I 4.3941 7.1020 105.0919 60.5794 38.9071 174.5768 20 F 3.5528 6.4814 114.8292 55.6360 41.1981 172.5352 21 A 5.2508 8.4652 120.4794 50.1387 22.5064 174.6521 22 L 5.0623 9.2410 123.5043 53.6205 44.1274 175.3693 23 R 5.1329 9.1948 125.9229 54.5286 34.3555 173.5453 24 R 5.1521 9.0716 124.5951 54.7543 32.4639 173.9996 25 D 5.8500 9.0147 125.4258 51.9617 44.9422 174.8407 26 Q 5.0327 8.5019 118.9920 54.4052 31.1078 174.8903 27 V 4.6828 8.7636 124.1487 62.7125 34.2535 178.0224 28 R 2.9148 9.4971 122.9406 58.5172 31.8448 176.4156 *34 I 4.7904 7.2516 118.8589 61.4165 38.1537 175.3066 35 V 4.6153 7.9634 117.7327 59.6141 35.6866 175.0773 36 T 4.6093 8.5224 120.7070 63.5414 69.6042 174.7204 37 R 4.4980 9.0467 124.3630 54.6191 33.7326 173.9142 38 E 4.7838 8.8027 124.1084 55.5207 30.8004 176.4192 39 V 4.5533 9.3999 124.8972 61.0578 35.1965 174.4732 40 V 4.4618 8.8855 128.3992 61.5931 32.5824 174.5867 41 E 4.7978 9.3763 129.6833 56.5173 30.3631 175.8465 42 H 4.8005 9.4375 123.9708 54.0718 32.9120 173.5805 43 F 4.4649 8.4233 120.8557 59.5382 39.2072 176.6483 44 G 4.1069 9.8537 105.1244 45.1267 0.0000 171.2329 45 A 5.2314 8.7317 119.1552 50.9423 23.5959 175.3631 46 V 5.0379 8.9804 110.6258 59.9652 36.1622 175.2076 47 A 5.3237 9.0145 123.7108 50.5100 23.2588 174.9530 48 I 4.9578 8.5171 119.2192 59.6530 40.8064 175.8123 49 V 4.0587 9.0542 127.7380 61.5182 32.6868 174.5452 50 A 4.8498 8.2964 131.3621 50.6717 19.8543 174.6994 51 M 4.9705 8.3824 122.1164 55.4394 33.6066 176.2107 52 D 4.7232 9.3091 129.1608 52.7837 41.2623 177.2429 *53 D 4.6341 8.4981 116.1719 54.9502 39.5646 173.0031 54 N 4.9185 8.7081 115.0667 53.7719 39.5891 175.0714 55 G 3.9233 8.3995 105.8675 45.9961 0.0000 172.8768 56 N 5.6947 8.2824 116.4207 51.3106 41.4503 173.9067 57 I 5.7624 9.2568 115.3295 57.5419 41.1962 172.4883 58 P 4.5097 0.0000 0.0000 62.1175 32.4994 174.9101 59 M 5.0717 9.3404 121.5964 53.8283 36.5118 174.8121 60 V 4.6581 9.1472 114.7444 60.0979 35.0633 174.5933 61 Y 4.4171 8.3189 124.9753 55.7151 38.9690 173.7607 62 Q 4.5534 8.2512 127.0524 53.5821 31.6554 173.7469 63 Y 4.3711 8.4717 127.3500 57.7366 40.4612 174.3949 64 R 4.2989 8.2691 125.9231 54.4065 31.9543 176.0093 65 H 3.9160 8.8395 125.3015 59.1305 30.1627 176.3110 66 T 3.6913 7.7312 108.4128 64.2124 68.1803 174.1448 67 Y 4.4422 7.3617 116.3395 56.8967 39.0482 176.1950 68 G 3.9300 8.8122 107.8635 45.6913 0.0000 172.9020 69 R 4.7155 7.0256 114.8345 54.9654 33.1580 173.3723 70 R 4.4091 8.3000 118.2129 55.1857 31.0756 176.3582 71 L 4.8846 8.4954 123.0596 52.5532 45.6016 175.5382 72 W 4.9776 8.8329 121.6922 56.4823 30.1241 175.5138 73 E 4.8789 9.7403 123.3732 54.7640 34.2292 174.4336 74 L 4.6824 8.3882 120.2004 53.3566 43.2959 175.5006 75 P 4.5006 0.0000 0.0000 63.2749 32.3100 175.2457 76 A 5.0903 8.5092 123.6293 51.4924 22.3728 175.2658 77 G 4.2804 8.8495 105.1213 44.9210 0.0000 172.8199 78 L 4.8055 8.4779 120.8111 53.7994 42.5498 177.9615 79 L 4.3432 8.4701 124.1745 53.8316 40.1971 176.7488 80 D 3.3700 7.3095 114.1687 52.3621 40.1794 177.8074 81 V 3.9188 7.0775 120.9755 60.5747 31.0169 173.5981 82 A 3.9567 8.3101 127.8140 53.8161 18.3765 177.9276 83 G 3.8781 8.9160 110.3409 45.5929 0.0000 172.4913 84 E 4.3489 8.0177 120.7985 54.0010 30.7619 174.8333 85 P 4.4028 0.0000 0.0000 61.6785 32.9803 175.2915 86 P 4.3987 0.0000 0.0000 66.4024 31.4578 178.6099 87 H 3.3541 8.1377 112.8284 57.9950 28.3726 177.2505 88 L 3.6262 7.1366 122.9185 57.9840 41.9956 178.6969 89 T 3.8431 7.8071 115.5293 66.5868 68.3842 176.2838 90 A 4.0487 8.3459 122.7257 55.2764 18.3829 179.5594 91 A 3.8718 7.7963 119.4693 55.0722 18.2790 179.8755 92 R 3.7843 8.0039 117.3018 59.4967 30.1554 178.3431 93 E 3.9223 8.2337 119.1457 59.1775 29.6452 178.4294 94 L 3.9925 8.2644 120.4728 58.2343 42.1579 178.8196 95 R 4.0031 8.0786 118.4848 59.6464 29.8906 178.2215 96 E 3.9819 8.6352 117.6025 59.4256 29.5706 178.9526 97 E 4.1453 8.6572 118.4411 58.7609 29.9292 177.8987 98 V 4.2731 7.5593 108.8607 60.1534 32.5341 175.9654 99 G 4.1016 8.3644 108.1119 46.9647 0.0000 173.4008 100 L 5.3517 7.9632 116.4557 52.5601 45.5350 176.5246 101 Q 4.9538 9.3067 123.2968 54.2805 32.1803 173.9549 102 A 5.3507 8.8615 126.3075 50.2713 21.0290 176.3007 103 S 4.4524 9.2577 116.6148 60.5262 64.8530 174.2046 104 T 5.0075 8.1779 117.4925 61.2857 71.1061 173.5119 105 W 5.1631 8.9492 125.2123 55.0954 32.2880 174.6126 106 Q 4.7996 9.0490 122.3253 54.1768 33.7693 173.9862 107 V 4.0128 8.8448 121.2169 62.5792 32.2993 175.4581 108 L 4.3466 8.7627 131.1115 56.2281 42.8466 176.6486 109 V 4.4092 7.1883 116.1832 60.6769 34.5353 171.3631 110 D 5.2693 8.5816 123.3307 52.5488 43.6719 175.1844 111 L 4.7669 9.1076 121.8680 54.2594 44.3390 175.3266 112 D 5.0486 8.7033 122.0510 53.0719 40.7710 176.4671 113 T 3.8622 8.1432 114.3158 64.1970 69.2619 175.2332 114 A 4.5144 7.1577 125.1215 47.8984 18.6143 174.2083 115 P 4.1673 0.0000 0.0000 64.8128 32.0278 178.5790 116 G 3.8532 7.9373 105.8571 47.4884 0.0000 174.0289 117 F 4.9261 7.5025 110.7600 56.0623 39.8507 173.7363 118 S 4.8475 7.4897 115.1902 56.8420 65.2598 172.7035 119 D 4.7311 8.2668 123.7736 53.1094 39.0221 176.1354 120 E 4.0957 7.9734 121.9598 56.9440 30.8582 175.6266 121 S 5.1022 8.6904 119.6796 56.6381 66.8124 172.3539 122 V 5.1122 9.3745 125.2560 61.2201 34.8196 173.8728 123 R 4.3376 8.0635 127.9289 53.7645 31.7409 174.6929 124 V 4.6997 8.4297 126.9821 61.5555 33.4786 174.5077 125 Y 4.9887 9.0033 126.0413 56.7712 40.7833 174.3985 126 L 5.1137 9.0399 123.3560 53.4915 44.7148 174.7561 127 A 4.6614 8.4794 129.0646 50.1808 21.3953 175.4383 128 T 4.7814 8.1594 111.7446 59.6253 73.1436 173.0632 129 G 4.2094 8.0872 106.9902 45.9115 0.0000 172.9651 130 L 4.9107 7.4330 117.7523 54.3781 43.8126 178.0776 131 R 4.5906 9.1415 122.2531 54.6565 33.6863 173.8280 132 E 4.7374 9.0655 126.1797 56.5346 29.7765 176.3303 133 V 4.2598 8.5847 117.8748 59.9682 34.8046 176.6996 134 G 3.6187 8.1200 106.6463 45.9797 0.0000 174.1645 135 R 3.9256 8.5015 122.3812 57.0248 28.9176 175.7359 *146 T 4.4097 8.0827 114.7843 61.8606 70.6959 172.3185 147 M 5.4744 8.4985 118.7666 54.4071 35.1811 173.7794 148 G 4.3439 9.5198 104.4370 45.0936 0.0000 171.9323 149 W 5.3718 8.5828 120.9623 55.1177 31.0075 175.3884 150 Y 4.7855 9.3849 121.8704 55.3105 41.4205 173.6691 151 P 5.1299 0.0000 0.0000 61.9596 32.4595 177.2771 152 I 3.7079 8.8915 123.7766 64.8166 37.0377 178.7296 153 A 3.8895 8.0015 120.8263 55.0214 18.1731 179.1526 154 E 3.8340 8.1511 117.1656 59.2913 29.8717 178.6161 155 A 3.7493 8.1766 120.6460 55.1725 18.5289 179.4234 156 A 3.8604 8.1371 119.3785 55.4103 18.2001 180.1267 157 R 3.9045 7.9014 116.5500 59.2524 30.1240 179.4283 158 R 3.9757 8.0985 118.2527 58.8930 29.8315 179.2401 159 V 3.4923 7.5214 118.1527 65.9931 31.4986 177.8499 160 L 4.1381 7.5681 115.5594 56.0950 41.5232 178.0812 161 R 4.4702 7.4049 117.7695 55.2320 30.6639 176.2530 162 G 3.8951 8.0328 105.7082 46.9114 0.0000 174.4645 163 E 4.2018 8.4868 119.3077 56.9341 29.8830 176.5680 164 I 4.5311 7.5428 118.6332 59.7642 39.1106 174.9998 165 V 4.1757 8.2653 118.2525 61.2468 33.9110 176.6541 166 N 4.1933 8.2474 118.2997 54.1686 39.5447 175.1762 167 S 4.0954 8.8468 123.0874 61.7536 62.9268 176.7162 168 I 3.7124 8.0726 123.1465 64.0226 36.8663 178.2256 169 A 3.9717 8.1646 121.1781 55.0795 18.2599 179.3975 170 I 3.5616 8.0014 118.3623 64.4965 37.1888 178.4147 171 A 4.0494 7.9489 121.3914 55.1590 18.1744 179.9295 172 G 3.4890 8.1784 104.2196 47.8493 0.0000 175.9642 173 V 3.5659 8.1587 121.4132 65.8349 31.5652 178.1842 174 L 4.0212 8.1394 118.5108 57.5140 41.3972 179.5343 175 A 3.9941 8.2212 121.2088 55.2055 18.4156 180.1652 176 V 3.6538 8.1257 117.9487 64.9203 31.4004 178.1554 177 H 4.2288 8.4922 120.3330 58.6665 29.7516 177.0607 178 A 4.0160 8.1762 122.7115 55.0427 18.1008 179.9193 179 V 4.3838 8.0910 118.4458 65.9857 31.2038 178.5076 180 T 3.9601 8.6034 109.8826 64.3616 68.3451 175.5157 181 T 4.3176 7.8153 110.5883 61.5619 69.3494 175.6420 182 G 3.9580 8.0609 110.3152 45.6454 0.0000 174.5287 183 F 4.1277 7.7762 120.5639 60.2499 39.8485 174.7432 184 A 4.6857 8.2333 121.6824 50.4944 22.3297 174.3727 185 Q 4.9690 8.1598 117.4184 53.3341 31.6038 174.2556 186 P 4.6251 0.0000 0.0000 62.7113 32.7520 175.1844 187 R 4.7795 8.8897 119.6311 53.4634 34.2485 173.7527 188 P 4.6302 0.0000 0.0000 62.4766 31.9211 178.0242 189 L 4.0994 8.8772 123.4557 58.0962 41.7005 177.9674 190 D 4.7549 8.0370 114.9505 53.5923 39.5577 176.4249 191 T 3.9746 7.9116 117.8085 63.7803 68.9193 173.9167 192 E 4.1063 8.7184 123.7761 56.1903 29.8924 176.8450 193 W 4.7760 8.5533 132.4662 55.4146 30.2616 175.9629 194 I 3.7750 8.6441 125.4661 64.0267 36.7130 177.7219 195 D 4.7819 7.8716 117.0454 53.5916 41.2320 176.3936 196 R 2.5100 6.6459 119.4156 55.1608 30.0790 174.7523 197 P 4.4049 0.0000 0.0000 63.2025 32.1105 175.9739 198 T 4.5567 8.1998 106.3919 61.5076 72.3587 175.7172 199 A 3.9655 8.3278 123.2228 55.4321 18.5990 178.8598 200 F 4.1873 8.2057 117.8704 61.3427 39.4614 177.0485 201 A 4.0977 8.1310 119.7823 55.0815 18.0363 179.2561 202 A 4.0476 8.0031 118.7673 55.1272 18.4130 179.9131 203 R 3.8244 7.4101 115.5800 58.6899 30.6903 178.3685 204 R 3.5545 7.1789 113.0750 57.0978 28.7966 177.4384 205 A 4.3243 7.4212 117.0413 51.1859 17.0064 176.9843 206 E 4.5740 7.2155 118.5023 55.3706 33.3781 176.0528 207 R 4.1714 8.5752 118.6639 56.7486 30.7572 175.7571 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 6 F 8.32 4.61 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.32 4.58 0.00 2.16 1.75 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 2.30 2.49 0.00 8 T 9.38 4.72 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 1.23 0.00 0.00 9 I 9.26 4.13 1.96 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 1.41 0.75 0.92 0.00 0.00 10 S 7.84 4.68 0.00 3.86 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 11 S 8.64 5.45 0.00 3.76 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.86 4.61 0.00 2.01 1.74 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 2.21 2.29 0.00 13 T 8.69 4.49 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 1.27 0.00 0.00 14 L 8.87 4.42 0.00 1.68 1.76 1.00 0.99 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 15 H 7.66 4.64 0.00 3.23 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.37 4.76 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 1.23 0.00 0.00 17 G 8.64 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 18 A 8.55 4.10 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 19 I 7.10 4.39 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 0.99 0.00 0.00 20 F 6.48 3.55 0.00 2.90 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 21 A 8.47 5.25 1.53 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 22 L 9.24 5.06 0.00 1.88 1.66 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.19 5.13 0.00 1.90 1.72 0.00 3.10 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 24 R 9.07 5.15 0.00 1.89 1.74 0.00 3.10 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 25 D 9.01 5.85 0.00 2.62 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 26 Q 8.50 5.03 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 27 V 8.76 4.68 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 1.23 0.00 0.00 0.97 0.00 0.00 28 R 9.50 2.91 0.00 1.88 2.12 0.00 2.97 0.00 0.00 2.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 *34 I 7.25 4.79 1.88 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 1.43 1.07 0.94 0.00 0.00 35 V 7.96 4.62 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 0.79 0.00 0.00 0.99 0.00 0.00 36 T 8.52 4.61 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 37 R 9.05 4.50 0.00 1.68 1.82 0.00 3.29 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 38 E 8.80 4.78 0.00 1.86 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 2.30 2.31 0.00 39 V 9.40 4.55 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 1.01 0.00 0.00 0.98 0.00 0.00 40 V 8.89 4.46 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 0.34 0.00 0.00 0.97 0.00 0.00 41 E 9.38 4.80 0.00 2.11 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 0.00 2.36 2.29 0.00 42 H 9.44 4.80 0.00 2.94 3.05 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.42 4.46 0.00 3.12 3.17 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 0.00 0.00 0.00 0.00 44 G 9.85 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 0.00 0.00 0.00 45 A 8.73 5.23 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 46 V 8.98 5.04 2.39 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 1.04 0.00 0.00 1.14 0.00 0.00 47 A 9.01 5.32 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 48 I 8.52 4.96 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.74 0.00 0.00 49 V 9.05 4.06 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 0.93 0.00 0.00 0.95 0.00 0.00 50 A 8.30 4.85 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 51 M 8.38 4.97 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0.00 0.00 0.00 0.00 126 L 9.04 5.11 0.00 1.69 1.50 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.48 4.66 0.05 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 0.00 0.00 0.00 0.00 0.00 128 T 8.16 4.78 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 1.21 0.00 0.00 129 G 8.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.43 4.91 0.00 1.60 1.70 1.18 0.85 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 0.00 131 R 9.14 4.59 0.00 1.86 1.76 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 132 E 9.07 4.74 0.00 1.94 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 0.00 2.41 2.38 0.00 133 V 8.58 4.26 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 0.76 0.00 0.00 0.98 0.00 0.00 134 G 8.12 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 0.00 135 R 8.50 3.93 0.00 1.83 2.36 0.00 3.34 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 *146 T 8.08 4.41 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 147 M 8.50 5.47 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 148 G 9.52 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 0.00 0.00 0.00 0.00 149 W 8.58 5.37 0.00 3.07 3.09 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 0.00 150 Y 9.38 4.79 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 5.13 0.00 2.21 1.99 0.00 3.95 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 152 I 8.89 3.71 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.98 0.00 0.00 153 A 8.00 3.89 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 0.00 154 E 8.15 3.83 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 155 A 8.18 3.75 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.14 3.86 1.15 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 0.00 0.00 157 R 7.90 3.90 0.00 1.99 1.94 0.00 3.11 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 158 R 8.10 3.98 0.00 1.83 1.80 0.00 3.05 0.00 0.00 2.69 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 159 V 7.52 3.49 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 1.08 0.00 0.00 0.90 0.00 0.00 160 L 7.57 4.14 0.00 1.64 1.67 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.40 4.47 0.00 1.84 2.06 0.00 3.64 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 162 G 8.03 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 0.00 163 E 8.49 4.20 0.00 1.94 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 2.32 2.25 0.00 164 I 7.54 4.53 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.89 0.00 0.00 165 V 8.27 4.18 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 0.69 0.00 0.00 0.81 0.00 0.00 166 N 8.25 4.19 0.00 2.77 2.75 0.00 0.00 6.97 7.63 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 0.00 167 S 8.85 4.10 0.00 4.08 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 0.00 168 I 8.07 3.71 2.06 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 1.46 0.56 0.92 0.00 0.00 169 A 8.16 3.97 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 0.00 0.00 0.00 0.00 0.00 170 I 8.00 3.56 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.89 0.00 0.00 171 A 7.95 4.05 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 0.00 172 G 8.18 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.16 3.57 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 0.96 0.00 0.00 0.90 0.00 0.00 174 L 8.14 4.02 0.00 1.76 1.69 0.89 0.63 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 0.00 175 A 8.22 3.99 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 0.00 176 V 8.13 3.65 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 0.91 0.00 0.00 0.94 0.00 0.00 177 H 8.49 4.23 0.00 3.38 3.56 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 8.18 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 8.09 4.38 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 1.06 0.00 0.00 1.01 0.00 0.00 180 T 8.60 3.96 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 0.00 181 T 7.82 4.32 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 1.05 0.00 0.00 182 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 7.78 4.13 0.00 3.04 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.23 4.69 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 0.00 185 Q 8.16 4.97 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 186 P 0.00 4.63 0.00 2.20 1.99 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 187 R 8.89 4.78 0.00 1.80 1.80 0.00 3.11 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 188 P 0.00 4.63 0.00 2.21 1.99 0.00 3.62 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 2.12 2.13 0.00 189 L 8.88 4.10 0.00 1.67 1.79 0.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.04 4.75 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 7.91 3.97 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 0.00 192 E 8.72 4.11 0.00 2.14 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 2.32 2.36 0.00 193 W 8.55 4.78 0.00 3.32 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 0.00 194 I 8.64 3.77 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.93 0.00 0.00 195 D 7.87 4.78 0.00 2.81 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 0.00 196 R 6.65 2.51 0.00 0.67 1.22 0.00 3.14 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 197 P 0.00 4.40 0.00 2.31 1.99 0.00 3.32 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 198 T 8.20 4.56 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 199 A 8.33 3.97 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 0.00 0.00 0.00 0.00 0.00 200 F 8.21 4.19 0.00 2.94 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 0.00 201 A 8.13 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.00 4.05 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 0.00 203 R 7.41 3.82 0.00 1.61 1.75 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 204 R 7.18 3.55 0.00 1.89 1.91 0.00 3.14 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 205 A 7.42 4.32 1.11 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 0.00 0.00 206 E 7.22 4.57 0.00 2.02 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 2.14 2.27 0.00 207 R 8.58 4.17 0.00 1.92 2.06 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.