NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *56 R 4.2725 8.2549 119.0739 55.1079 30.3190 175.0630 57 P 4.3175 0.0000 0.0000 59.5451 31.3257 174.8206 58 R 4.5715 8.4883 119.8946 53.8356 32.8464 175.2805 59 G 3.9167 8.6357 111.3780 44.1446 0.0000 170.8234 60 P 4.6044 0.0000 0.0000 62.9556 32.6146 175.7242 61 R 5.1833 8.5966 119.0168 54.7416 34.8313 173.8124 62 A 5.2351 9.1714 122.8711 50.1792 23.3231 175.1409 63 V 4.9717 8.4735 119.1731 60.0034 34.3694 174.7160 64 F 5.0040 9.4045 121.9320 55.7240 42.4705 174.1810 65 I 5.0522 8.9590 123.6899 59.5458 40.6571 174.4064 66 L 4.5963 9.1906 130.9381 53.5848 42.8590 173.2758 67 P 4.9915 0.0000 0.0000 61.2723 33.4001 175.1616 68 V 4.9608 8.7778 124.5570 61.1593 34.6679 175.5617 69 T 4.7520 9.0809 117.4221 59.9211 69.8158 175.2523 70 A 3.8945 8.5213 124.5973 55.5463 18.2065 178.6461 71 Q 4.1863 8.0458 111.6751 55.9571 29.2408 175.7891 72 G 3.8090 8.2538 106.9645 46.8508 0.0000 172.9124 73 E 5.0873 7.8832 117.6137 54.0833 32.5315 175.7802 74 A 4.6513 8.8483 125.6273 51.5508 20.5015 176.9407 75 V 4.0098 8.6453 122.7617 61.6997 31.7922 175.3240 76 L 4.8787 8.7969 128.8918 53.1861 44.5532 175.4270 77 I 5.1099 8.7706 113.0582 59.3377 41.4874 174.6602 78 R 5.0779 9.0098 122.9849 54.6945 32.4954 174.7003 79 Q 5.1693 8.5794 125.6874 53.6857 31.9989 174.4612 80 F 4.6535 9.0319 129.3561 58.7112 40.2810 174.3548 81 R 4.4246 8.2610 124.9049 54.3060 32.7215 175.8681 82 Y 3.9246 8.8891 125.5721 60.2589 38.9618 176.3366 83 P 4.3092 0.0000 0.0000 64.3381 31.5843 176.8356 84 L 4.2291 7.7001 117.1436 54.1777 42.3458 176.6115 85 R 3.5638 7.1693 115.9017 56.0550 28.4578 175.1797 86 A 4.8275 6.7123 115.7857 51.2023 22.9264 176.5878 87 T 4.7318 8.4373 109.6456 61.5550 70.7422 173.9776 88 I 4.6342 8.2295 121.2018 59.7641 42.0557 173.8720 89 T 4.6077 8.5120 125.4023 63.8003 68.8797 173.6580 90 E 4.9488 9.4407 125.6983 54.4201 34.6218 175.3640 91 I 4.3646 8.3653 115.9916 59.9696 39.6644 175.5049 92 V 4.0096 8.1619 121.8948 63.3010 32.2686 174.7017 93 A 4.6787 7.3917 126.5549 52.0795 22.4370 175.4440 94 G 4.2251 6.9577 104.5635 45.7273 0.0000 173.2668 95 G 4.1175 8.7043 107.9637 46.0197 0.0000 173.2328 96 V 4.1700 8.3702 123.0509 61.5269 32.5133 176.1468 97 E 4.2135 9.7231 127.9301 55.5818 30.1193 177.4499 98 K 3.7412 8.6369 121.1152 59.6715 31.9921 178.8906 99 G 4.1054 7.7873 105.4644 45.3172 0.0000 172.4094 100 E 4.5046 7.8329 120.7951 53.8387 31.4669 174.8755 101 D 4.4462 8.2758 124.5806 53.5551 43.5632 177.0313 102 L 3.9055 8.2313 124.1517 57.8379 41.7688 179.8655 103 G 3.3533 7.9137 104.8495 47.8039 0.0000 175.3482 104 A 3.8731 7.6855 122.3580 54.5148 18.5031 179.2460 105 A 4.0934 8.3783 120.7407 54.5489 18.3821 179.5995 106 A 3.7951 7.7906 118.8197 55.3067 18.3534 179.7038 107 A 4.1599 7.3118 118.6147 55.2415 18.4576 179.6574 108 R 3.8048 7.8679 117.2105 59.6404 30.2497 178.3301 109 E 3.8800 8.3206 119.0558 59.1474 29.6731 178.3724 110 L 3.9866 8.1573 120.4345 58.0631 42.1496 178.6305 111 L 4.2129 8.2269 121.8039 57.8933 41.8857 178.8909 112 E 3.9819 8.4275 117.3843 59.3826 29.4685 178.8375 113 E 4.2611 8.4981 117.9703 58.2470 29.8621 177.8435 114 V 4.3280 7.1940 107.2044 59.8254 34.1312 175.1222 115 G 3.8295 8.3024 108.5545 46.8995 0.0000 173.5674 116 G 4.5573 8.0376 105.0691 44.1282 0.0000 173.3236 117 A 5.0839 8.6755 121.3593 49.8766 22.9650 174.9394 118 A 4.9055 8.5438 121.1047 50.0437 20.8616 176.9106 119 S 4.3340 8.7009 115.6440 60.7427 64.7148 173.8689 120 E 4.7613 7.7040 119.5023 54.1869 33.2474 173.8226 121 W 5.1515 8.8791 124.7649 54.8263 32.3727 174.9875 122 V 4.4330 9.0842 124.5517 60.4496 33.3615 173.0147 123 P 4.9223 0.0000 0.0000 62.6118 32.0882 175.6798 124 L 5.0074 8.5540 122.0968 51.8457 45.6796 174.7037 125 P 4.3565 0.0000 0.0000 62.5425 31.5675 177.1350 126 G 3.8178 8.6727 110.9531 46.8608 0.0000 172.2085 127 F 4.9189 8.2904 115.3756 55.4313 41.9187 172.6832 128 Y 4.7670 8.3510 118.2932 56.2878 37.9380 174.3210 129 P 4.5089 0.0000 0.0000 65.6171 32.4220 177.3051 130 Q 4.6596 7.3700 117.1747 54.3946 30.2758 173.0457 131 P 4.5785 0.0000 0.0000 63.6086 32.3120 178.7981 132 S 4.2337 8.0180 114.2453 60.3707 63.2753 174.8121 133 I 4.3689 7.5718 110.9552 60.2699 38.6225 175.1394 134 S 4.5548 8.1430 115.8957 56.8880 65.3124 174.0538 135 G 4.0113 8.6392 114.7338 45.5760 0.0000 174.0853 136 V 3.9826 7.5700 120.4397 61.8086 32.1845 175.7449 137 V 4.1068 8.2603 123.3121 61.0585 34.1323 173.9938 138 F 5.3861 8.3000 126.6290 56.1314 41.0783 174.2609 139 Y 4.8533 9.0082 122.6443 55.7181 39.5772 173.1768 140 P 5.3768 0.0000 0.0000 62.1839 33.5792 175.0474 141 L 5.3789 9.5878 121.8528 53.0012 46.2792 175.1647 142 L 4.8664 9.2010 125.2330 54.1749 43.6247 174.8965 143 A 4.5103 8.7954 128.9412 50.1611 21.0604 175.7323 144 L 4.7334 8.4839 122.5334 52.5988 45.6625 176.5864 145 G 4.0425 8.4443 104.8879 45.7480 0.0000 173.9036 146 V 4.1010 7.7944 120.3649 62.5764 32.7092 174.9294 147 T 4.7117 8.6684 117.7987 59.9763 71.8688 173.2984 148 L 5.0015 8.3292 122.1330 53.4482 44.2578 176.4127 149 G 3.5636 8.7214 111.3024 48.5253 0.0000 174.7834 *158 T 4.6272 8.0009 116.2775 62.7524 70.5061 173.5692 159 I 5.0437 7.6719 120.5873 59.3894 40.1814 174.1479 160 E 4.6518 8.9387 126.7718 54.1606 32.5169 174.7235 161 R 4.5372 8.7072 127.6732 56.3202 31.3401 175.7877 162 V 4.2678 9.0134 125.6343 61.3534 34.5832 174.0949 163 V 4.6873 8.4493 128.7928 61.4786 32.5032 174.8507 164 L 4.9237 8.4482 127.5642 51.8940 45.8046 174.4957 165 P 4.4674 0.0000 0.0000 63.1000 32.0649 177.5414 166 L 4.0724 8.7811 123.1973 57.9078 41.5325 179.9423 167 A 4.0326 7.9872 120.4023 55.0894 18.2731 179.1617 168 E 3.8784 8.1064 117.3989 59.2602 29.7811 178.8513 169 V 3.4538 7.6804 118.2017 66.4476 31.5965 177.7092 170 Y 3.6757 8.2207 116.1130 60.3418 37.6263 178.2539 171 R 3.8765 8.1237 120.0834 59.5841 30.2304 178.1464 172 M 3.9563 8.1707 118.8446 58.4396 32.1353 178.2487 173 L 3.7759 7.9264 120.4790 58.5373 41.9018 179.0746 174 E 4.1970 8.0058 116.4935 59.2008 29.5221 178.6897 175 A 4.2399 7.9319 119.1074 52.9695 17.7346 178.4270 176 G 3.9545 8.0370 105.8706 45.3670 0.0000 175.1586 177 E 4.0750 8.0039 118.7725 57.8979 29.6592 177.2951 178 I 4.1714 6.8183 117.0872 60.1149 35.9679 175.4086 179 Q 4.1525 8.2862 123.7699 56.7959 29.4521 176.5641 180 D 4.5687 8.0403 118.4450 53.6831 41.8592 176.3033 181 G 3.6381 8.7557 114.4632 47.6791 0.0000 172.8686 182 P 4.4149 0.0000 0.0000 65.2331 31.3276 178.9576 183 S 4.2543 8.5384 113.9305 61.7566 62.7894 176.9284 184 S 4.0786 8.3458 118.0595 61.5078 62.5099 176.5526 185 L 4.0776 8.3207 123.4717 58.3810 41.6890 179.1496 186 T 3.9673 7.9413 115.7974 66.5503 68.1620 176.6330 187 L 3.9945 7.7054 119.9385 57.5304 42.0241 179.2880 188 W 4.4880 8.1987 118.7748 60.1568 28.8731 178.7295 189 Q 4.1682 8.3966 116.3654 58.6371 28.4504 178.0469 190 A 4.3098 8.4451 120.8454 53.5388 18.6705 179.3917 191 R 3.7380 8.0840 117.9023 59.0850 30.0838 178.6389 192 G 3.6034 8.0862 105.0358 47.8254 0.0000 174.7077 193 E 3.9324 8.2734 121.9928 59.1959 29.5613 178.9711 194 L 4.0231 7.9416 118.5632 57.8467 41.6026 179.7688 195 T 4.1199 7.7732 117.2371 66.1254 68.2039 176.9634 196 R 3.9503 7.8952 118.8914 59.3301 30.2331 178.6863 197 R 4.2293 7.8296 114.7058 56.0869 30.2175 177.2989 198 G 3.9225 7.7118 106.6958 46.2659 0.0000 175.0183 199 L 4.1212 8.0071 121.7701 55.8863 42.0169 176.9874 200 L 4.2114 7.7050 124.6346 54.9281 42.1952 175.5987 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 *56 R 8.25 4.27 0.00 1.85 1.84 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 57 P 0.00 4.32 0.00 2.13 2.06 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 58 R 8.49 4.57 0.00 1.87 1.87 0.00 3.04 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 59 G 8.64 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 0.00 0.00 0.00 60 P 0.00 4.60 0.00 2.20 2.24 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 61 R 8.60 5.18 0.00 1.83 2.05 0.00 3.16 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 62 A 9.17 5.24 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.47 4.97 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 0.65 0.00 0.00 1.02 0.00 0.00 64 F 9.40 5.00 0.00 2.94 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.96 5.05 1.99 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 1.55 1.49 1.09 0.00 0.00 66 L 9.19 4.60 0.00 1.82 1.65 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.99 0.00 2.07 1.88 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 68 V 8.78 4.96 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 1.02 0.00 0.00 0.94 0.00 0.00 69 T 9.08 4.75 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 1.23 0.00 0.00 70 A 8.52 3.89 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 71 Q 8.05 4.19 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 72 G 8.25 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.88 5.09 0.00 1.94 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 2.23 2.22 0.00 74 A 8.85 4.65 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 75 V 8.65 4.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 76 L 8.80 4.88 0.00 1.70 1.70 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.77 5.11 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.27 0.91 0.00 0.00 78 R 9.01 5.08 0.00 1.76 1.90 0.00 3.07 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 79 Q 8.58 5.17 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 80 F 9.03 4.65 0.00 3.09 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 81 R 8.26 4.42 0.00 1.51 1.70 0.00 3.37 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 82 Y 8.89 3.92 0.00 3.12 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 83 P 0.00 4.31 0.00 2.06 2.10 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 84 L 7.70 4.23 0.00 1.70 1.59 0.87 1.17 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 85 R 7.17 3.56 0.00 1.88 2.04 0.00 3.40 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 86 A 6.71 4.83 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 87 T 8.44 4.73 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 1.41 0.00 0.00 88 I 8.23 4.63 1.85 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 1.24 1.25 0.96 0.00 0.00 89 T 8.51 4.61 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 1.19 0.00 0.00 90 E 9.44 4.95 0.00 1.84 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 2.28 2.44 0.00 91 I 8.37 4.36 2.15 0.00 0.00 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 1.33 0.74 0.94 0.00 0.00 92 V 8.16 4.01 2.23 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 0.97 0.00 0.00 0.93 0.00 0.00 93 A 7.39 4.68 -0.22 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 94 G 6.96 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 0.00 0.00 0.00 0.00 95 G 8.70 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.37 4.17 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 0.74 0.00 0.00 0.94 0.00 0.00 97 E 9.72 4.21 0.00 2.18 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 2.31 2.23 0.00 98 K 8.64 3.74 0.00 1.70 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 99 G 7.79 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 0.00 100 E 7.83 4.50 0.00 2.00 1.77 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 2.14 2.16 0.00 101 D 8.28 4.45 0.00 2.76 2.41 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 0.00 102 L 8.23 3.91 0.00 1.56 1.49 0.70 0.01 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 0.00 103 G 7.91 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 0.00 0.00 0.00 104 A 7.69 3.87 1.23 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 0.00 0.00 0.00 105 A 8.38 4.09 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 0.00 106 A 7.79 3.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.31 4.16 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 0.00 108 R 7.87 3.80 0.00 1.93 2.05 0.00 3.34 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 109 E 8.32 3.88 0.00 2.25 2.03 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 2.20 2.29 0.00 110 L 8.16 3.99 0.00 2.12 2.01 0.93 0.41 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 0.00 111 L 8.23 4.21 0.00 1.92 1.85 0.94 0.71 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 0.00 112 E 8.43 3.98 0.00 1.92 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 2.34 2.59 0.00 113 E 8.50 4.26 0.00 2.07 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 2.31 2.50 0.00 114 V 7.19 4.33 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 0.72 0.00 0.00 0.98 0.00 0.00 115 G 8.30 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 0.00 0.00 0.00 116 G 8.04 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.68 5.08 1.23 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 0.00 0.00 0.00 118 A 8.54 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.70 4.33 0.00 3.90 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.70 4.76 0.00 1.98 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 121 W 8.88 5.15 0.00 3.18 3.11 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 0.00 122 V 9.08 4.43 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 1.11 0.00 0.00 0.97 0.00 0.00 123 P 0.00 4.92 0.00 2.05 2.03 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 124 L 8.55 5.01 0.00 1.77 1.78 1.04 1.02 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 0.00 125 P 0.00 4.36 0.00 2.11 2.06 0.00 3.78 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 2.08 2.14 0.00 126 G 8.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.29 4.92 0.00 3.01 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 0.00 128 Y 8.35 4.77 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.51 0.00 1.94 1.55 0.00 3.52 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 130 Q 7.37 4.66 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 131 P 0.00 4.58 0.00 1.96 1.88 0.00 3.35 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 132 S 8.02 4.23 0.00 3.97 3.99 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 0.00 133 I 7.57 4.37 1.86 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 1.28 0.70 0.90 0.00 0.00 134 S 8.14 4.55 0.00 3.81 3.74 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 0.00 135 G 8.64 4.01 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 0.00 0.00 0.00 136 V 7.57 3.98 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 0.45 0.00 0.00 1.12 0.00 0.00 137 V 8.26 4.11 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 -0.01 0.00 0.00 0.66 0.00 0.00 138 F 8.30 5.39 0.00 1.51 1.91 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 0.00 139 Y 9.01 4.85 0.00 2.93 2.92 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 0.00 140 P 0.00 5.38 0.00 2.32 2.45 0.00 3.92 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 141 L 9.59 5.38 0.00 1.93 1.96 1.05 0.76 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 0.00 142 L 9.20 4.87 0.00 1.82 1.74 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.80 4.51 0.34 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 0.00 144 L 8.48 4.73 0.00 1.45 1.48 0.89 0.54 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 0.00 145 G 8.44 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 0.00 146 V 7.79 4.10 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 0.88 0.00 0.00 0.88 0.00 0.00 147 T 8.67 4.71 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 1.19 0.00 0.00 148 L 8.33 5.00 0.00 1.48 1.57 0.91 0.91 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 0.00 149 G 8.72 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 T 8.00 4.63 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 0.00 159 I 7.67 5.04 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 1.25 0.63 0.92 0.00 0.00 160 E 8.94 4.65 0.00 2.02 1.77 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 2.19 2.22 0.00 161 R 8.71 4.54 0.00 1.86 1.81 0.00 3.23 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 162 V 9.01 4.27 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 0.96 0.00 0.00 0.98 0.00 0.00 163 V 8.45 4.69 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 0.85 0.00 0.00 0.92 0.00 0.00 164 L 8.45 4.92 0.00 1.60 1.48 0.90 0.90 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 0.00 165 P 0.00 4.47 0.00 2.07 1.99 0.00 3.60 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 2.11 2.13 0.00 166 L 8.78 4.07 0.00 1.74 1.83 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.99 4.03 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 0.00 168 E 8.11 3.88 0.00 2.09 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 2.36 2.40 0.00 169 V 7.68 3.45 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 0.72 0.00 0.00 0.90 0.00 0.00 170 Y 8.22 3.68 0.00 3.06 2.90 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 0.00 171 R 8.12 3.88 0.00 1.99 2.06 0.00 3.12 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 1.63 1.68 0.00 172 M 8.17 3.96 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 173 L 7.93 3.78 0.00 1.36 1.46 0.72 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.01 4.20 0.00 2.09 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 0.00 2.55 2.43 0.00 175 A 7.93 4.24 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 0.00 176 G 8.04 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 0.00 0.00 0.00 177 E 8.00 4.07 0.00 2.07 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 2.34 2.28 0.00 178 I 6.82 4.17 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.88 0.00 0.00 179 Q 8.29 4.15 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 180 D 8.04 4.57 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 G 8.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.41 0.00 2.08 1.82 0.00 4.05 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 183 S 8.54 4.25 0.00 3.95 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 0.00 184 S 8.35 4.08 0.00 4.04 4.05 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 0.00 185 L 8.32 4.08 0.00 1.45 1.24 0.77 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 186 T 7.94 3.97 4.49 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 1.36 0.00 0.00 187 L 7.71 3.99 0.00 1.49 1.13 0.67 0.66 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 0.00 188 W 8.20 4.49 0.00 3.58 3.24 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 0.00 189 Q 8.40 4.17 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 190 A 8.45 4.31 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 0.00 191 R 8.08 3.74 0.00 2.18 2.10 0.00 3.03 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 0.00 192 G 8.09 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.27 3.93 0.00 2.11 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 0.00 2.41 2.49 0.00 194 L 7.94 4.02 0.00 1.60 1.61 0.99 0.68 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 0.00 195 T 7.77 4.12 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 1.16 0.00 0.00 196 R 7.90 3.95 0.00 1.91 2.00 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 197 R 7.83 4.23 0.00 1.80 1.95 0.00 3.25 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 198 G 7.71 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 0.00 0.00 0.00 199 L 8.01 4.12 0.00 1.75 1.71 0.89 0.70 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 0.00 200 L 7.70 4.21 0.00 1.49 1.27 0.78 0.05 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 * Residues marked with a * may have inaccurate shift predictions.