NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.2615 8.1927 115.2926 57.3874 64.4464 175.6474 9 D 3.8750 8.1739 114.0203 56.5350 41.5058 173.1914 10 D 4.6743 7.9947 117.9445 55.9462 42.8723 177.8334 11 E 4.1441 7.9825 118.7160 61.2362 29.4968 184.8112 12 V 3.8516 7.3964 116.5708 66.3302 31.7470 178.2120 13 L 4.0167 7.8877 117.9404 57.1473 41.6498 178.7072 14 E 3.8641 7.9209 118.4980 59.1366 29.6354 178.3205 15 A 4.0004 8.4605 120.8427 55.4667 18.3869 179.5423 16 A 4.1492 8.4113 119.3472 55.6097 18.4493 179.9931 17 T 3.7119 8.0556 114.3753 66.7253 68.0528 176.8296 18 V 3.5903 7.7231 119.8157 66.0702 31.5116 178.3776 19 V 3.6618 7.7169 117.5047 65.6574 31.3769 177.6178 20 L 3.9996 8.4908 122.8100 58.8288 41.6554 179.3965 21 K 3.8571 7.7281 122.1080 60.1992 31.6389 180.1219 22 R 4.3410 7.5384 118.2056 58.6008 30.1113 176.8317 23 C 4.6441 7.7050 108.1339 56.8281 31.3602 174.6527 24 G 4.0798 8.6352 108.1028 44.8469 0.0000 173.0415 25 P 4.1823 0.0000 0.0000 64.6389 31.8512 177.9604 26 I 3.9191 7.6995 119.4642 63.9853 37.2693 176.5294 27 E 4.3099 7.9874 116.2323 56.4343 29.9017 176.2224 28 F 4.2857 7.8623 122.8486 58.1548 39.9833 174.8598 29 T 4.5462 7.4167 116.8728 58.9438 73.1865 174.7216 30 L 3.7999 8.2655 121.6712 57.9377 41.5429 179.8434 31 S 4.1273 7.9481 112.8139 61.2652 62.3392 176.2210 32 G 3.5362 8.1990 108.8104 47.8330 0.0000 175.8664 33 V 3.5334 7.4093 120.1368 65.4751 31.5168 178.0431 34 A 3.9803 8.0798 120.6594 54.9261 17.9894 179.6169 35 K 3.8067 8.1138 116.3304 59.8204 32.3201 178.9529 36 E 4.0454 8.3123 118.3414 58.5407 29.4910 178.2145 37 V 4.2418 7.8027 117.6545 60.9851 32.8406 176.4611 38 G 3.9684 8.9821 107.3678 45.8217 0.0000 172.3886 39 L 4.8956 7.5669 119.2707 52.2058 45.6392 176.4581 40 S 4.7212 8.1453 113.2245 57.2283 66.0739 174.5793 41 R 3.8068 8.5193 123.0719 59.7896 29.6797 178.2551 42 A 3.9431 8.1350 119.5562 55.5097 18.2840 179.2928 43 A 3.9535 7.7251 118.9577 55.3619 18.4053 179.9067 44 L 4.0629 7.9408 117.5222 57.9410 41.6455 179.7305 45 I 3.8145 8.3541 120.5568 64.2612 36.8164 178.2390 46 Q 4.0580 7.6300 116.9018 58.3648 28.7956 178.1459 47 R 3.7764 7.8634 120.3021 58.7339 30.3183 177.0121 48 F 4.7700 8.1390 113.4422 56.6749 39.9430 175.8174 49 T 3.7586 8.2964 121.4616 64.0370 67.6341 171.7571 50 N 5.1008 7.4411 114.8038 50.0128 41.1301 174.9234 51 R 3.9860 8.8716 117.3657 60.0778 29.7600 177.9414 52 D 4.4687 8.1211 117.8370 57.4815 40.4789 178.3940 53 T 3.9109 8.2889 116.3830 66.9176 68.6259 176.2164 54 L 3.7108 7.9276 121.6631 58.0566 41.9641 179.0230 55 L 3.8517 8.1002 119.0806 57.5318 41.4758 179.3379 56 V 3.5412 8.0750 118.5039 65.9984 31.2863 178.3322 57 R 3.9924 7.5109 116.4856 59.1087 30.1871 178.7004 58 M 3.9772 7.7502 118.2633 58.5374 31.8764 178.4864 59 M 3.9558 8.1294 118.3713 58.8101 32.0194 177.9142 60 E 3.6223 8.3151 118.7776 59.5951 29.6131 179.3459 61 R 4.1726 8.1916 118.5502 58.6549 30.2512 178.8600 62 G 3.4803 7.9867 105.9130 47.7817 0.0000 175.6569 63 V 3.6194 8.6634 122.4236 66.0512 31.3501 177.9953 64 E 4.1444 7.9980 119.2609 59.9304 29.2847 179.8761 65 Q 4.2208 8.2407 120.8143 60.2240 28.0427 180.9196 66 V 3.9306 8.0822 118.9334 65.5969 31.2089 178.5140 67 R 3.8246 8.3042 117.6959 59.3307 29.8755 178.1865 68 H 4.2645 7.5862 113.4084 57.8260 29.6082 176.5459 69 Y 4.2792 8.5004 121.8345 61.6804 38.6217 177.4750 70 L 4.0061 9.1483 118.8701 57.6460 41.3689 180.9100 71 N 3.8438 7.9000 118.3717 55.7195 39.0693 176.8619 72 A 4.3203 7.9110 122.7422 54.1256 18.4823 178.2017 73 I 3.6767 7.3383 115.5940 59.4098 35.4551 178.2915 74 P 4.3928 0.0000 0.0000 60.7490 31.9044 176.5257 75 I 3.5753 8.2160 123.2682 61.6484 36.5697 176.0816 76 G 3.8079 8.2279 116.1246 44.4493 0.0000 170.6033 77 A 4.3317 8.5440 122.6788 51.6943 20.0325 178.2712 78 G 4.0118 8.5830 110.4114 44.5269 0.0000 171.5836 79 P 3.8111 0.0000 0.0000 66.1636 30.4194 177.9720 80 Q 4.3680 8.1219 118.5218 58.4262 28.9764 177.8643 81 G 3.6700 7.9717 107.2254 47.6750 0.0000 175.3323 82 L 4.0925 7.8637 122.7588 57.6483 42.2311 178.2617 83 W 4.8602 8.3467 128.1761 61.2004 30.6146 177.3859 84 E 3.6871 8.6030 117.9869 59.4804 28.9740 179.3075 85 F 4.2119 8.5523 120.4193 61.5150 39.5460 177.0079 86 L 3.5916 8.3561 118.8258 57.8017 41.3830 179.5308 87 Q 3.6445 8.1260 118.1646 58.8749 28.4489 179.2993 88 V 3.4681 7.3491 118.9687 65.8597 31.3627 177.7454 89 L 3.7812 7.5490 119.2505 58.0348 42.2023 178.8851 90 V 3.6469 7.6396 118.0523 66.0071 31.3302 178.2940 91 R 3.9045 7.8205 116.8795 58.9822 29.9488 178.6736 92 S 4.2813 7.5608 112.4205 59.1861 62.9652 174.1610 93 M 4.1908 7.2495 123.5278 55.1107 33.1435 174.4070 94 N 4.8411 7.9396 127.2875 53.0220 37.0727 175.8936 *98 D 4.6426 8.2995 113.9480 51.6363 41.4797 174.0213 99 F 4.6062 7.8805 120.5565 57.1548 46.4517 175.6095 100 S 4.9207 8.3148 114.3876 59.3514 63.1557 176.2736 101 V 3.7564 7.8299 123.3523 64.6344 31.2138 177.2853 102 N 4.5890 7.6965 116.3400 55.1839 38.3533 176.7070 103 Y 4.5778 7.4127 118.0917 60.5183 38.2153 177.4735 104 L 4.2860 7.8778 121.3586 58.1797 42.2448 178.9385 105 I 3.7921 8.1999 120.2261 64.6840 36.8288 178.6602 106 S 4.4023 8.3461 115.2345 61.0296 62.4749 176.1260 107 W 4.3413 8.4235 131.5079 60.5424 30.3535 177.1900 108 Y 3.3890 8.0431 118.7379 59.7805 38.1475 177.0748 109 E 3.8812 8.2265 118.9518 58.8752 29.6009 178.3851 110 L 4.2000 7.0439 115.4863 55.6338 42.0825 178.1596 111 Q 3.9673 7.3517 118.2069 55.9079 29.0983 175.5828 112 V 4.0225 6.7818 119.8332 60.3363 32.3694 173.8249 113 P 4.1748 0.0000 0.0000 66.0259 31.2451 178.0044 114 E 3.9207 8.0867 117.3246 58.8017 29.4926 178.7500 115 L 4.0775 8.3477 119.6445 57.5380 41.8072 178.9798 116 R 3.8220 7.8705 118.1215 59.8184 29.9195 178.1968 117 T 3.8318 8.1337 115.6659 66.9021 68.5182 176.2884 118 L 4.1153 7.5301 118.4565 56.7402 41.8504 179.3418 119 A 3.9223 8.1913 121.5445 55.1783 18.2400 179.3494 120 I 3.6450 7.8454 118.5025 65.0551 37.2945 178.7130 121 Q 4.0038 8.1869 118.4338 58.7517 28.4353 178.8129 122 R 3.9153 7.9019 120.0589 59.2287 30.0054 178.2692 123 N 4.2998 8.2254 115.9158 56.4507 38.7882 177.6562 124 R 3.8849 7.5955 119.2957 59.3604 30.2921 178.5372 125 A 4.0030 7.9396 120.2010 55.3940 17.8831 179.9156 126 V 3.6521 7.7689 116.6721 65.9426 31.6290 178.3601 127 V 3.6121 8.5060 118.7092 65.8809 31.3468 177.5360 128 E 4.0218 8.6961 119.5715 59.4284 29.3238 179.1828 129 G 3.6845 7.8540 103.7356 47.3579 0.0000 175.6196 130 I 4.1004 7.5315 121.5416 65.2685 37.1392 177.4424 131 R 3.6013 8.4608 116.5438 59.8571 29.5122 178.5746 132 K 4.2701 8.0855 121.0570 59.1363 32.6239 178.0233 133 R 4.4115 7.3808 115.5908 55.3916 30.2952 176.5981 134 L 4.3114 10.1563 120.3830 53.1862 41.0818 174.6276 135 P 4.2340 0.0000 0.0000 61.2889 32.0043 174.3832 136 P 4.2234 0.0000 0.0000 64.1381 31.7109 176.6817 137 G 3.8830 8.5086 105.5835 46.3443 0.0000 171.9792 138 A 4.8507 7.7893 125.7771 49.2715 22.1196 175.0514 139 P 4.3031 0.0000 0.0000 62.1388 32.0417 176.2790 140 A 3.9876 8.4948 122.9499 53.9319 18.8709 177.0149 141 A 4.0357 8.8669 121.1594 52.8576 16.7755 179.1444 142 A 4.0217 7.8224 122.7900 57.0782 18.3960 180.4151 143 E 3.9099 8.2521 115.2660 59.6473 29.4493 179.3363 144 L 3.9958 7.8461 119.2780 57.4139 41.9735 178.8272 145 L 3.9515 7.9663 120.2205 58.3785 42.0460 179.0392 146 L 4.0499 8.6949 119.2456 58.1274 41.5111 179.0733 147 H 4.2910 8.1848 117.9194 59.1981 29.7251 177.6298 148 S 4.0911 8.3373 117.2870 61.4639 62.5983 176.7370 149 V 3.6061 7.7115 120.6567 65.9952 31.2528 177.9198 150 I 3.9008 7.6215 118.7732 64.3878 37.0019 177.9467 151 A 4.1301 7.9614 121.4447 55.3707 18.2486 179.9817 152 G 3.5196 8.5260 104.1107 48.0471 0.0000 175.8776 153 A 4.1781 8.9430 124.8337 54.8060 18.2714 179.7307 154 T 3.9839 8.0372 114.4757 67.2496 68.6016 176.4368 155 M 4.1901 8.1494 121.6742 57.9662 31.9999 178.4350 156 Q 3.9604 8.1417 118.0644 59.1310 29.0363 179.5773 157 W 3.8426 8.4456 128.4758 60.4309 30.5404 177.6516 158 A 3.5661 8.3355 119.8370 55.1732 17.7567 179.5942 159 V 3.6677 7.4855 115.7023 64.9667 33.1147 176.2829 160 D 4.5723 7.4695 115.7919 51.7640 41.0293 172.7543 161 P 3.7992 0.0000 0.0000 61.7035 32.3341 177.7211 162 D 4.4483 8.0135 119.8306 53.1589 40.1658 175.5172 163 G 3.9633 8.6603 115.0680 45.1809 0.0000 170.9461 164 E 4.6211 8.5717 118.6407 54.9200 32.2954 176.7077 165 L 2.4400 7.5681 122.4327 57.8861 42.0174 179.1477 166 A 3.8593 7.6698 119.9329 55.4987 18.2619 179.2280 167 D 4.5168 7.9866 116.5879 57.3540 40.6467 178.4571 168 H 4.2272 7.5750 118.4534 59.1016 30.3275 177.1500 169 V 3.7575 7.9082 120.1093 66.2205 31.4689 178.0972 170 L 4.2152 8.6203 118.6115 57.5951 41.4486 179.2884 171 A 4.1022 8.0660 120.5093 54.7965 18.2152 179.1075 172 Q 4.2065 8.0480 115.8569 57.8284 29.4358 178.3474 173 I 3.7737 7.7133 120.4646 64.1088 37.1648 178.0834 174 A 3.1966 8.1773 121.4278 54.7921 18.0675 179.2547 175 A 3.8711 7.7496 119.2366 55.6240 18.3269 179.7823 176 I 3.6192 8.1761 117.2305 63.8828 38.0543 177.8582 177 L 3.7729 8.0698 120.3815 58.0768 40.9539 179.2564 178 C 4.3819 8.1684 116.6737 62.8950 27.8007 176.2457 179 L 3.9724 7.3994 119.8430 58.1520 41.2941 179.2429 180 M 3.9148 7.8040 117.5815 56.8712 33.1597 176.9760 181 F 4.9958 7.9585 116.9918 55.1718 39.7140 173.6691 182 P 4.7447 0.0000 0.0000 64.3947 32.0439 178.6236 183 E 4.1205 7.9230 117.6951 59.3516 29.6687 177.0984 184 H 3.9769 8.3735 118.8414 56.9189 30.3944 174.6290 185 D 4.5600 7.9881 124.8961 52.4590 40.7421 177.4864 186 D 4.5347 8.3611 119.8928 53.4542 40.3687 176.8562 187 F 4.3001 8.6844 122.5181 57.3089 39.9720 175.8135 188 Q 5.0016 8.6801 122.8832 55.3572 32.4316 174.2553 189 L 4.4894 8.1469 117.4332 54.8210 43.7059 176.4328 190 L 4.3061 8.5961 116.4920 56.9436 41.6936 176.6319 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 8 S 8.19 4.26 0.00 3.88 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 9 D 8.17 3.87 0.00 2.87 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 10 D 7.99 4.67 0.00 2.82 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 11 E 7.98 4.14 0.00 1.98 1.94 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 2.24 2.18 0.00 12 V 7.40 3.85 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 1.26 0.00 0.00 1.06 0.00 0.00 13 L 7.89 4.02 0.00 1.72 1.65 0.99 0.70 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 14 E 7.92 3.86 0.00 2.21 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 0.00 2.31 2.32 0.00 15 A 8.46 4.00 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 16 A 8.41 4.15 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.06 3.71 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 1.14 0.00 0.00 18 V 7.72 3.59 2.27 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 1.11 0.00 0.00 0.97 0.00 0.00 19 V 7.72 3.66 2.37 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 0.96 0.00 0.00 0.94 0.00 0.00 20 L 8.49 4.00 0.00 1.45 1.64 0.54 0.59 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 21 K 7.73 3.86 0.00 1.90 1.76 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.36 7.81 22 R 7.54 4.34 0.00 2.04 2.01 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 23 C 7.71 4.64 0.00 3.12 2.95 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 24 G 8.64 4.08 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 0.00 0.00 0.00 25 P 0.00 4.18 0.00 1.08 1.85 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 26 I 7.70 3.92 1.92 0.00 0.00 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 1.57 0.95 1.00 0.00 0.00 27 E 7.99 4.31 0.00 2.16 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 2.30 2.24 0.00 28 F 7.86 4.29 0.00 3.06 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 29 T 7.42 4.55 4.13 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 0.00 0.00 0.00 1.23 0.00 0.00 30 L 8.27 3.80 0.00 1.66 1.74 1.03 0.70 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 31 S 7.95 4.13 0.00 3.84 3.78 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 32 G 8.20 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 33 V 7.41 3.53 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 1.00 0.00 0.00 0.60 0.00 0.00 34 A 8.08 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.11 3.81 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 36 E 8.31 4.05 0.00 2.02 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 0.00 2.53 2.38 0.00 37 V 7.80 4.24 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 0.93 0.00 0.00 0.96 0.00 0.00 38 G 8.98 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.57 4.90 0.00 1.60 1.59 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.15 4.72 0.00 4.03 3.97 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 0.00 0.00 0.00 41 R 8.52 3.81 0.00 1.88 1.98 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 42 A 8.14 3.94 1.32 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 0.00 0.00 0.00 43 A 7.73 3.95 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 44 L 7.94 4.06 0.00 1.90 1.80 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.35 3.81 2.02 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 1.59 0.78 0.92 0.00 0.00 46 Q 7.63 4.06 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 47 R 7.86 3.78 0.00 1.89 1.83 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.23 0.00 48 F 8.14 4.77 0.00 3.06 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 49 T 8.30 3.76 4.31 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 1.24 0.00 0.00 50 N 7.44 5.10 0.00 2.93 2.92 0.00 0.00 5.68 7.66 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 51 R 8.87 3.99 0.00 1.95 2.08 0.00 3.52 0.00 0.00 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0.00 0.00 0.00 2.55 2.55 0.00 60 E 8.32 3.62 0.00 2.29 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 2.34 2.38 0.00 61 R 8.19 4.17 0.00 2.07 2.11 0.00 3.21 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 62 G 7.99 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.66 3.62 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 1.03 0.00 0.00 0.95 0.00 0.00 64 E 8.00 4.14 0.00 2.21 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 2.35 2.49 0.00 65 Q 8.24 4.22 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 66 V 8.08 3.93 2.25 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 1.09 0.00 0.00 0.95 0.00 0.00 67 R 8.30 3.82 0.00 1.99 1.99 0.00 3.19 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 68 H 7.59 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4.19 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.36 0.00 94 N 7.94 4.84 0.00 2.57 1.71 0.00 0.00 7.21 8.47 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 *98 D 8.30 4.64 0.00 2.99 2.71 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 99 F 7.88 4.61 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 0.00 100 S 8.31 4.92 0.00 4.32 4.31 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 0.00 101 V 7.83 3.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 102 N 7.70 4.59 0.00 2.18 2.59 0.00 0.00 6.86 7.03 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 0.00 103 Y 7.41 4.58 0.00 3.31 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 0.00 104 L 7.88 4.29 0.00 1.83 1.90 1.03 1.38 0.00 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0.00 0.00 0.00 0.99 0.00 0.00 0.59 0.00 0.00 113 P 0.00 4.17 0.00 2.14 2.08 0.00 3.55 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 2.07 2.11 0.00 114 E 8.09 3.92 0.00 2.05 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 2.45 0.00 115 L 8.35 4.08 0.00 1.88 1.65 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.87 3.82 0.00 1.84 1.96 0.00 3.12 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 117 T 8.13 3.83 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 1.20 0.00 0.00 118 L 7.53 4.12 0.00 1.86 1.69 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.19 3.92 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 0.00 120 I 7.85 3.65 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.53 4.10 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.03 1.06 0.00 0.00 131 R 8.46 3.60 0.00 2.08 1.91 0.00 3.13 0.00 0.00 3.17 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 132 K 8.09 4.27 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.75 7.81 133 R 7.38 4.41 0.00 1.66 1.85 0.00 2.77 0.00 0.00 2.59 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.41 0.00 134 L 10.16 4.31 0.00 1.75 1.73 1.02 1.09 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 0.00 135 P 0.00 4.23 0.00 2.18 1.96 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.71 0.00 136 P 0.00 4.22 0.00 2.10 2.06 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 137 G 8.51 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 0.00 0.00 0.00 138 A 7.79 4.85 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 0.00 139 P 0.00 4.30 0.00 2.12 1.93 0.00 3.46 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 140 A 8.49 3.99 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 0.00 141 A 8.87 4.04 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 0.00 142 A 7.82 4.02 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 0.00 143 E 8.25 3.91 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 144 L 7.85 4.00 0.00 1.89 1.78 0.93 0.55 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 0.00 145 L 7.97 3.95 0.00 1.99 1.84 0.92 0.44 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 0.00 146 L 8.69 4.05 0.00 1.77 1.78 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.18 4.29 0.00 3.40 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.34 4.09 0.00 4.10 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 0.00 149 V 7.71 3.61 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 1.05 0.00 0.00 1.01 0.00 0.00 150 I 7.62 3.90 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 1.46 0.54 0.90 0.00 0.00 151 A 7.96 4.13 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 0.00 152 G 8.53 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.94 4.18 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 0.00 154 T 8.04 3.98 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 155 M 8.15 4.19 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.52 0.00 156 Q 8.14 3.96 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 157 W 8.45 3.84 0.00 3.16 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 0.00 158 A 8.34 3.57 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 0.00 159 V 7.49 3.67 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 0.91 0.00 0.00 160 D 7.47 4.57 0.00 2.51 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 0.00 0.00 0.00 0.00 161 P 0.00 3.80 0.00 1.12 0.49 0.00 3.11 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 162 D 8.01 4.45 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.66 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 0.00 164 E 8.57 4.62 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 165 L 7.57 2.44 0.00 0.27 1.02 0.46 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.67 3.86 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 0.00 167 D 7.99 4.52 0.00 2.89 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 0.00 168 H 7.57 4.23 0.00 3.26 3.49 0.00 5.96 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 0.00 169 V 7.91 3.76 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 0.99 0.00 0.00 1.00 0.00 0.00 170 L 8.62 4.22 0.00 1.83 1.97 0.79 0.61 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 0.00 171 A 8.07 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.05 4.21 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 173 I 7.71 3.77 2.13 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 1.80 0.88 1.15 0.00 0.00 174 A 8.18 3.20 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 0.00 175 A 7.75 3.87 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 0.00 176 I 8.18 3.62 1.83 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 1.44 1.49 0.94 0.00 0.00 177 L 8.07 3.77 0.00 0.65 0.47 0.32 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 178 C 8.17 4.38 0.00 3.09 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 0.00 179 L 7.40 3.97 0.00 1.64 1.66 0.88 0.88 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 0.00 180 M 7.80 3.91 0.00 0.77 1.80 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 181 F 7.96 5.00 0.00 3.42 3.13 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 0.00 0.00 0.00 0.00 182 P 0.00 4.74 0.00 2.20 2.20 0.00 3.42 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 183 E 7.92 4.12 0.00 2.12 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 0.00 2.41 2.44 0.00 184 H 8.37 3.98 0.00 3.16 3.14 0.00 5.92 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 D 7.99 4.56 0.00 2.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 D 8.36 4.53 0.00 2.68 2.54 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 0.00 187 F 8.68 4.30 0.00 1.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 8.68 5.00 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.67 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 189 L 8.15 4.49 0.00 1.60 1.32 0.92 0.87 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 0.00 190 L 8.60 4.31 0.00 1.63 1.61 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.