NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5644 8.4645 120.5287 54.0749 42.2928 175.1271 7 L 4.7205 8.0615 122.3409 51.5137 44.3151 173.3949 8 I 4.0612 8.0980 121.6557 60.4707 38.6549 174.3933 9 P 4.3008 0.0000 0.0000 62.3581 31.7305 175.9266 10 A 3.1549 8.3199 124.0559 51.1310 18.6055 175.9815 11 P 4.2576 0.0000 0.0000 61.5668 32.4147 174.6120 12 P 4.3625 0.0000 0.0000 62.4090 30.4982 177.8607 13 L 3.9522 8.5912 123.6032 59.5335 40.5009 180.2076 14 S 4.3147 8.0401 116.8227 60.7754 62.7113 179.2393 15 K 4.0788 7.8444 122.2716 58.4279 31.5478 183.4440 16 V 3.9081 6.9866 117.4345 59.3625 31.5562 176.1436 17 P 4.4608 0.0000 0.0000 61.2019 32.0087 175.1883 18 L 4.4261 8.2044 124.8156 54.2004 43.1276 175.6214 19 Q 4.3412 8.2285 128.9938 56.2731 29.8736 176.2089 20 Q 4.1619 8.7630 128.4005 56.4160 29.5546 173.8758 21 N 4.1463 8.8609 118.3735 54.4831 33.8838 174.7314 *22 F 4.2321 7.9132 122.4142 58.9388 38.9309 176.1498 23 Q 4.3160 7.9740 121.8395 56.3693 29.1275 172.8191 24 D 4.7566 8.3883 130.3908 56.5392 47.3800 175.6943 25 N 4.7359 8.1387 115.9142 51.6644 38.0660 176.6391 *28 Q 4.5703 8.4327 121.9691 55.1959 29.5533 173.8981 29 G 4.2773 7.4074 106.0759 46.4555 0.0000 172.3406 30 K 4.8746 7.4694 126.4644 52.3637 35.2408 177.1707 31 W 4.9186 9.1919 127.3303 54.6784 33.5069 174.9689 *32 Y 4.7491 8.4686 122.1595 56.5311 40.7847 175.4889 33 V 4.2621 8.3234 126.1851 61.1986 29.4639 175.0837 34 V 3.8951 9.1734 128.2728 63.2746 33.0245 174.9877 35 G 4.2989 8.0461 107.0589 46.0342 0.0000 172.6191 36 L 5.1737 8.2860 121.2012 53.6428 44.8578 175.5426 37 A 4.7918 9.8873 126.1615 48.5885 22.5187 175.5136 38 G 4.0035 8.0367 111.2861 45.1595 0.0000 173.0963 39 N 4.3685 7.5385 117.9638 54.3730 37.6460 175.5952 40 A 4.8042 7.7915 124.5368 52.2322 20.1325 177.5822 41 I 4.6068 7.3875 116.2481 60.6356 36.3863 178.1632 42 L 4.1328 7.7514 122.5257 56.3025 41.7818 178.8099 *49 Q 4.3304 7.6575 118.3877 56.6421 30.4278 178.6667 50 K 5.2682 8.4882 115.9804 55.9613 36.5252 175.4043 51 M 4.8059 8.3755 117.7034 54.8375 33.7094 172.2961 52 Y 3.7260 9.4610 127.4730 57.1514 37.3260 168.4272 53 A 4.8850 7.6297 126.8917 51.5246 22.4432 176.3738 54 T 4.0747 6.0681 115.3656 61.0602 71.6517 171.9877 55 I 5.0163 8.5612 128.2784 58.9917 37.5965 172.6740 56 Y 4.8507 9.7340 126.8896 56.2776 41.0501 175.8252 57 E 4.8043 9.5328 121.3801 53.8507 32.9155 173.2841 58 L 3.8968 8.8638 128.0643 54.3102 42.6619 177.1098 59 K 4.4557 8.7421 130.6616 57.0911 32.9223 177.2659 60 E 4.3817 8.6411 118.3686 55.9542 28.1278 178.4937 61 D 4.6222 7.9050 119.2231 53.7699 40.0727 175.8956 62 K 3.5545 7.9376 125.6031 56.0521 28.8080 176.7611 *64 Y 4.6974 7.9473 122.3695 55.7855 40.3198 174.5232 65 N 4.2642 8.3762 115.7149 54.5223 37.0689 173.2340 66 V 3.6333 8.0754 120.3724 62.8726 33.6996 175.5543 67 T 4.6157 8.8376 123.4002 62.0070 72.5029 172.9340 68 S 4.7291 8.0030 124.4799 57.0045 66.3765 174.3277 69 V 4.8051 7.9698 121.5384 59.4022 35.5264 173.4263 70 L 5.0310 8.8733 126.4301 53.9751 44.5117 176.7419 *71 F 4.6322 8.8538 121.0640 55.7096 37.3663 176.2826 72 R 4.4954 8.0538 126.8644 54.7731 32.0027 175.3491 73 K 4.0259 8.7763 128.1313 55.1145 31.0268 173.2163 *76 C 4.4719 8.0678 116.5983 57.3828 35.9140 173.1519 77 D 5.0466 8.7735 125.8593 52.5243 41.5224 171.6819 78 Y 5.3010 8.8263 122.2598 55.4721 40.2239 175.5910 79 W 5.3836 8.8327 121.7077 55.7840 31.8703 174.1874 80 I 4.8776 8.6965 123.4951 58.7916 37.3979 172.2042 81 R 4.9931 9.0327 125.5399 53.7658 34.4959 175.1435 82 T 4.8291 8.5009 111.1884 60.2629 70.1892 174.1300 83 F 4.4095 8.7511 130.0703 56.7199 40.5835 174.0513 *89 P 4.2393 0.0000 0.0000 63.8484 31.0723 176.0229 90 G 4.0363 7.9874 116.3369 45.3647 0.0000 170.6812 91 E 4.5224 8.2106 117.0558 54.8696 31.4662 175.3937 92 F 4.8119 8.4920 120.0155 55.9082 41.0730 175.4188 93 T 4.3364 8.9691 116.8522 61.9275 66.8701 177.1498 94 L 4.6859 8.9562 115.4641 53.4626 45.3046 173.6585 95 G 3.8908 9.2007 115.2329 45.9673 0.0000 172.9799 96 N 4.1744 8.7267 119.4747 54.5708 36.3881 174.8325 97 I 3.8221 7.6246 124.2361 64.6844 38.2009 179.8618 98 K 4.1797 8.1220 121.0784 57.1902 31.8401 181.4814 99 S 4.1819 7.4816 112.0911 61.3619 62.9394 174.4729 100 Y 4.2476 7.6486 119.4828 56.6627 37.7599 174.7282 101 P 4.3805 0.0000 0.0000 65.2399 31.3363 177.3599 102 G 3.4584 7.1651 109.7969 43.8501 0.0000 173.8525 103 L 3.9790 8.1674 119.1427 53.1822 41.3041 176.9883 104 T 4.5665 8.1579 107.3621 63.7352 70.8311 175.2412 105 S 4.7225 7.9893 116.3137 57.6743 65.3025 172.8547 106 Y 5.0525 8.3946 124.6539 57.3511 41.5483 174.3224 107 L 4.9683 9.0595 130.9885 53.7423 45.4916 173.0389 108 V 4.6797 8.3495 122.3019 60.0532 35.7056 175.1522 109 R 4.6570 8.8429 125.0375 55.8070 34.0239 174.5360 110 V 4.3336 8.3403 122.9173 60.4677 33.7291 177.2953 111 V 3.8997 8.7489 128.9667 62.3758 31.6853 173.9158 112 S 4.5458 7.4359 115.6763 57.9712 66.7099 175.8323 113 T 4.5687 8.3862 119.4179 59.3885 69.5635 173.3616 114 N 4.4188 9.0489 128.8784 54.5464 37.9597 174.8396 *115 Y 3.6976 8.3430 117.5563 58.3770 34.2752 175.5997 116 N 4.4495 8.1718 114.0389 53.6521 42.3124 176.4342 *119 A 4.0163 7.4213 120.2572 54.3407 20.2400 175.7866 120 M 2.9131 8.3970 120.9747 57.0439 29.3179 176.9615 121 V 4.5082 7.9512 119.8512 59.9478 34.9016 178.2378 *122 F 4.7449 8.8224 127.8617 56.2128 39.3710 171.3248 123 F 5.2508 10.1356 122.8294 56.2877 43.6349 175.3228 124 K 5.0205 8.6039 123.4726 54.5437 36.0400 175.5697 125 K 4.9750 8.8994 124.4959 54.1457 36.6157 175.7325 126 V 4.6556 8.1305 123.7576 62.7838 33.5405 175.5969 127 S 4.7877 8.7548 121.8009 58.8552 66.5867 173.5255 128 Q 4.4104 9.0882 125.6005 53.3974 27.5917 171.7331 129 N 4.3362 8.7116 124.0123 52.4405 36.4454 175.1615 130 R 4.4632 7.6521 111.1744 55.0171 32.2935 173.2194 131 E 5.1810 8.4059 119.0050 54.8242 31.6295 172.9686 132 Y 3.9637 8.9385 124.2899 57.9056 34.3385 167.7819 133 F 5.3922 9.1912 120.3995 56.0413 41.7953 174.4312 134 K 4.5877 9.3071 124.7585 54.9884 36.8433 176.0674 135 I 5.2208 9.1460 120.6843 59.4785 39.5379 175.4785 136 T 5.0088 8.8803 119.4061 59.6331 71.8688 174.3827 137 L 4.5397 9.0555 129.2638 54.5255 42.0985 176.5183 *138 Y 4.8587 7.9732 126.8066 53.9269 38.3631 174.5670 139 G 4.4852 9.0522 113.5317 47.0313 0.0000 175.7825 140 R 3.8422 9.0181 124.7541 59.7260 30.2078 177.6924 141 T 4.3247 7.5557 109.1404 59.7623 69.4598 177.2348 142 K 4.1220 8.5468 121.2775 60.9485 32.2287 178.6246 143 E 4.3942 8.0036 116.3764 56.0470 30.7918 179.3585 144 L 4.5794 7.8051 116.7884 55.7234 44.5565 174.6969 145 T 3.9753 8.6484 115.1517 64.9112 69.2717 177.7151 *156 S 4.5953 8.0305 117.9989 56.8365 64.3860 175.4835 157 K 4.6516 7.3756 120.7282 55.3694 35.0838 177.1993 158 S 3.6933 8.8414 122.6476 59.0311 60.9979 172.6433 159 L 3.9694 6.6460 116.1766 56.3887 41.7552 178.5484 160 G 4.1454 7.4746 111.4596 45.9614 0.0000 171.2921 161 L 3.6876 8.6526 116.6495 54.1746 36.7108 168.7099 162 P 4.3159 0.0000 0.0000 63.9381 32.8907 177.2390 163 E 3.6106 8.8780 115.4967 56.5618 26.1767 180.4303 164 N 4.9739 7.4716 121.2559 52.0135 39.6911 178.4021 *168 F 4.7871 7.3821 118.4536 55.3593 39.3084 173.8682 169 P 4.6266 0.0000 0.0000 63.4735 32.2004 177.0190 170 V 3.9876 8.0819 122.8662 60.3711 32.2677 173.1973 171 P 4.4985 0.0000 0.0000 62.2906 31.8754 175.9888 172 I 4.6423 8.3018 124.6787 60.7209 41.4765 176.2346 173 D 4.8780 8.2885 124.7461 50.4338 38.7014 176.2114 174 Q 4.4727 7.9328 117.6771 55.3604 32.5239 175.4421 175 C 4.4783 9.3482 126.6780 56.9084 38.7270 174.9809 176 I 3.6918 7.5574 110.4399 63.5331 37.3145 176.2504 177 D 4.4531 7.8190 120.2276 54.5046 41.5111 176.4604 178 G 4.0020 8.6198 108.7266 45.8970 0.0000 173.5420 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 D 8.46 4.56 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.06 4.72 0.00 1.70 1.39 0.92 0.58 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 8 I 8.10 4.06 2.07 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 1.47 0.96 1.12 0.00 0.00 9 P 0.00 4.30 0.00 2.12 2.04 0.00 3.81 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 1.97 1.96 0.00 10 A 8.32 3.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 1.84 1.84 0.00 2.60 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 12 P 0.00 4.36 0.00 2.12 1.93 0.00 3.52 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 13 L 8.59 3.95 0.00 1.79 1.90 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.04 4.31 0.00 3.65 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 15 K 7.84 4.08 0.00 1.81 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.26 7.81 16 V 6.99 3.91 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 0.87 0.00 0.00 0.93 0.00 0.00 17 P 0.00 4.46 0.00 2.15 1.97 0.00 3.52 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 18 L 8.20 4.43 0.00 1.61 1.54 0.90 0.74 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 19 Q 8.23 4.34 0.00 2.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 20 Q 8.76 4.16 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.33 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 21 N 8.86 4.15 0.00 2.90 2.76 0.00 0.00 6.57 7.43 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 *22 F 7.91 4.23 0.00 2.20 2.32 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 23 Q 7.97 4.32 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 24 D 8.39 4.76 0.00 2.62 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 25 N 8.14 4.74 0.00 2.78 2.60 0.00 0.00 6.64 7.46 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 *28 Q 8.43 4.57 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 29 G 7.41 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.47 4.87 0.00 1.50 1.57 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.00 7.81 31 W 9.19 4.92 0.00 3.24 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 *32 Y 8.47 4.75 0.00 1.93 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 0.00 0.00 0.00 33 V 8.32 4.26 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 0.80 0.00 0.00 0.93 0.00 0.00 34 V 9.17 3.90 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 0.64 0.00 0.00 0.93 0.00 0.00 35 G 8.05 4.30 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 0.00 36 L 8.29 5.17 0.00 1.39 1.40 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.89 4.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 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 0.00 0.00 0.00 39 N 7.54 4.37 0.00 2.85 2.92 0.00 0.00 6.71 7.14 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 40 A 7.79 4.80 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 41 I 7.39 4.61 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 1.27 0.79 0.91 0.00 0.00 42 L 7.75 4.13 0.00 1.66 1.59 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *49 Q 7.66 4.33 0.00 1.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.64 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 50 K 8.49 5.27 0.00 1.62 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 51 M 8.38 4.81 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 52 Y 9.46 3.73 0.00 3.32 3.31 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 53 A 7.63 4.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 6.07 4.07 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 1.21 0.00 0.00 55 I 8.56 5.02 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 1.23 0.62 1.00 0.00 0.00 56 Y 9.73 4.85 0.00 2.79 2.81 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 57 E 9.53 4.80 0.00 1.63 1.70 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 2.15 1.96 0.00 58 L 8.86 3.90 0.00 1.94 1.67 0.92 0.62 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 59 K 8.74 4.46 0.00 1.77 1.80 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.49 7.81 60 E 8.64 4.38 0.00 2.22 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 2.10 1.85 0.00 61 D 7.91 4.62 0.00 2.78 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 62 K 7.94 3.55 0.00 1.95 1.76 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *64 Y 7.95 4.70 0.00 3.20 3.05 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 65 N 8.38 4.26 0.00 2.84 2.99 0.00 0.00 6.96 7.71 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 66 V 8.08 3.63 1.70 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 0.26 0.00 0.00 -0.48 0.00 0.00 67 T 8.84 4.62 4.15 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 1.19 0.00 0.00 68 S 8.00 4.73 0.00 2.72 2.91 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 69 V 7.97 4.81 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 0.82 0.00 0.00 0.93 0.00 0.00 70 L 8.87 5.03 0.00 1.85 2.04 0.92 0.54 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 *71 F 8.85 4.63 0.00 2.31 2.16 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 72 R 8.05 4.50 0.00 1.77 1.70 0.00 3.38 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 73 K 8.78 4.03 0.00 1.93 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *76 C 8.07 4.47 0.00 2.98 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.77 5.05 0.00 2.33 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 78 Y 8.83 5.30 0.00 2.90 2.91 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 79 W 8.83 5.38 0.00 3.45 3.23 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 80 I 8.70 4.88 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 1.34 0.80 0.91 0.00 0.00 81 R 9.03 4.99 0.00 1.91 2.06 0.00 3.21 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 82 T 8.50 4.83 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 1.21 0.00 0.00 83 F 8.75 4.41 0.00 3.11 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 *89 P 0.00 4.24 0.00 2.25 2.21 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 90 G 7.99 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 91 E 8.21 4.52 0.00 2.06 1.95 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 2.17 2.43 0.00 92 F 8.49 4.81 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.97 4.34 4.52 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 1.34 0.00 0.00 94 L 8.96 4.69 0.00 1.41 1.47 -0.22 0.85 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 95 G 9.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.73 4.17 0.00 3.05 2.84 0.00 0.00 7.17 7.82 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 97 I 7.62 3.82 1.87 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 1.35 1.21 0.91 0.00 0.00 98 K 8.12 4.18 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 99 S 7.48 4.18 0.00 3.69 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.65 4.25 0.00 3.29 2.93 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 0.00 101 P 0.00 4.38 0.00 2.07 2.15 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 102 G 7.17 3.46 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 0.00 103 L 8.17 3.98 0.00 1.76 1.66 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.16 4.57 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 1.21 0.00 0.00 105 S 7.99 4.72 0.00 3.97 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 0.00 106 Y 8.39 5.05 0.00 2.91 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 0.00 107 L 9.06 4.97 0.00 1.27 1.44 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.35 4.68 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 0.88 0.00 0.00 0.93 0.00 0.00 109 R 8.84 4.66 0.00 1.40 1.74 0.00 3.20 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 110 V 8.34 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 0.69 0.00 0.00 0.93 0.00 0.00 111 V 8.75 3.90 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 1.07 0.00 0.00 0.93 0.00 0.00 112 S 7.44 4.55 0.00 3.36 3.69 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 0.00 0.00 0.00 0.00 113 T 8.39 4.57 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 1.21 0.00 0.00 114 N 9.05 4.42 0.00 3.16 2.95 0.00 0.00 6.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *115 Y 8.34 3.70 0.00 2.60 2.34 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 0.00 116 N 8.17 4.45 0.00 2.67 2.65 0.00 0.00 6.86 7.46 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 *119 A 7.42 4.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 8.40 2.91 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 121 V 7.95 4.51 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 0.93 0.00 0.00 *122 F 8.82 4.74 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 10.14 5.25 0.00 3.02 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 0.00 124 K 8.60 5.02 0.00 1.40 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.28 1.24 7.81 125 K 8.90 4.98 0.00 2.02 1.77 0.00 1.39 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.48 7.81 126 V 8.13 4.66 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 0.94 0.00 0.00 0.93 0.00 0.00 127 S 8.75 4.79 0.00 3.62 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 0.00 128 Q 9.09 4.41 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.86 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 129 N 8.71 4.34 0.00 2.85 2.91 0.00 0.00 6.98 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 0.00 130 R 7.65 4.46 0.00 1.61 1.84 0.00 2.78 0.00 0.00 2.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 131 E 8.41 5.18 0.00 2.19 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 2.17 2.26 0.00 132 Y 8.94 3.96 0.00 3.50 2.97 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 0.00 133 F 9.19 5.39 0.00 3.32 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 0.00 134 K 9.31 4.59 0.00 1.40 1.64 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.26 7.81 135 I 9.15 5.22 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 1.28 0.67 0.91 0.00 0.00 136 T 8.88 5.01 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 1.37 0.00 0.00 137 L 9.06 4.54 0.00 1.30 1.62 0.92 0.93 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 *138 Y 7.97 4.86 0.00 2.07 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 0.00 0.00 0.00 139 G 9.05 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 0.00 0.00 0.00 0.00 140 R 9.02 3.84 0.00 1.71 1.80 0.00 2.81 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 0.00 141 T 7.56 4.32 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 1.21 0.00 0.00 142 K 8.55 4.12 0.00 1.74 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 143 E 8.00 4.39 0.00 1.99 1.76 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 2.22 1.87 0.00 144 L 7.81 4.58 0.00 1.61 1.40 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.65 3.98 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 1.21 0.00 0.00 *156 S 8.03 4.60 0.00 3.67 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.38 4.65 0.00 1.81 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.41 7.81 158 S 8.84 3.69 0.00 4.03 3.25 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 0.00 159 L 6.65 3.97 0.00 2.27 1.66 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.47 4.15 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 0.00 161 L 8.65 3.69 0.00 1.86 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.32 0.00 2.19 2.23 0.00 3.85 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 1.99 1.97 0.00 163 E 8.88 3.61 0.00 2.19 1.95 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 2.11 1.86 0.00 164 N 7.47 4.97 0.00 2.68 2.59 0.00 0.00 6.84 7.43 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 *168 F 7.38 4.79 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.63 0.00 2.13 2.26 0.00 3.76 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 2.25 2.20 0.00 170 V 8.08 3.99 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 0.69 0.00 0.00 0.93 0.00 0.00 171 P 0.00 4.50 0.00 1.94 2.03 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 172 I 8.30 4.64 1.89 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 1.29 0.78 0.95 0.00 0.00 173 D 8.29 4.88 0.00 2.68 2.47 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 0.00 174 Q 7.93 4.47 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 5.94 0.00 0.00 0.00 0.00 0.00 2.17 1.92 0.00 175 C 9.35 4.48 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.56 3.69 1.87 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 1.57 0.53 0.91 0.00 0.00 177 D 7.82 4.45 0.00 2.86 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 0.00 178 G 8.62 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.