NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9088 8.3431 109.7354 45.6673 0.0000 172.8199 10 G 3.8463 8.2261 107.8247 43.8916 0.0000 170.6977 11 A 4.6263 9.2917 125.5390 52.2096 23.7589 174.0490 12 I 4.5575 7.8691 116.0839 61.0875 38.0738 175.0684 13 C 4.8211 8.4792 120.9417 53.9112 42.8287 172.6796 14 A 4.5073 8.1481 120.6819 50.6529 19.4041 178.1614 15 I 3.4941 8.6230 123.9688 64.6624 37.8829 177.3997 16 A 4.1554 8.2272 122.7069 55.5199 18.2111 179.7805 17 V 3.9346 7.3989 112.5162 63.5526 31.4401 177.9825 *19 I 4.3541 7.9778 120.5082 61.1492 38.8721 178.2143 20 T 3.9978 7.8034 108.6081 64.7648 69.1169 175.7581 21 I 3.8568 7.8966 123.0689 64.3680 37.0583 179.1300 22 V 3.8818 7.5187 116.6441 63.4076 30.5707 177.6920 *24 G 3.8916 8.0822 109.0082 45.1225 0.0000 174.8284 25 N 4.3262 7.8579 116.2859 54.4243 38.6237 176.2892 26 G 3.8900 7.7220 104.8631 46.0329 0.0000 173.8085 27 N 4.6010 8.0498 117.2456 54.8791 39.5280 176.4427 28 V 4.0044 7.4094 110.0518 61.0272 32.3766 176.3883 29 R 4.0416 9.1119 124.8315 58.7350 30.3105 177.4209 30 T 4.0313 8.6060 108.2749 61.7916 69.1227 174.2587 31 N 4.6888 8.6289 122.8489 51.6284 40.1595 175.9170 32 Q 3.9137 8.6162 120.0689 59.6552 28.8108 178.3421 33 A 4.1376 8.1122 120.9783 55.1681 18.3569 179.6863 34 G 3.4898 8.5596 104.1776 47.9848 0.0000 176.0260 35 L 3.9503 8.1119 121.8377 57.3649 41.5455 179.4040 36 E 4.0462 8.7908 119.0052 59.2536 29.5411 179.1708 37 L 3.9307 8.0899 120.2702 58.3044 42.2616 179.0636 38 I 3.7691 7.9820 119.9375 64.2756 37.0094 178.7794 39 G 3.4158 8.7197 106.9382 47.9555 0.0000 175.6379 40 N 4.4105 8.2035 117.9575 55.5495 38.5547 177.0076 41 A 4.1630 7.6377 121.1761 55.4689 18.5855 179.2376 42 E 4.1843 7.8951 115.0524 56.8962 30.2740 178.4536 43 G 3.9012 8.7210 105.9753 44.9453 0.0000 170.8456 44 C 5.3449 8.1610 117.0740 54.7601 42.6213 172.8841 45 R 4.9706 8.6881 124.0677 54.9218 33.5893 176.3498 46 R 4.0656 9.1030 123.5641 58.1528 31.5030 176.2003 47 D 5.0047 7.9589 118.9230 51.7683 42.0999 174.3659 48 P 5.4033 0.0000 0.0000 62.0957 31.9105 174.8987 49 Y 5.0952 8.3309 123.1403 57.0019 41.3793 175.1510 *51 C 4.5718 8.6432 115.8170 58.5042 30.1662 170.9751 52 P 4.3959 0.0000 0.0000 63.5838 31.9652 176.2607 53 A 3.4337 8.5556 122.8310 52.6110 15.0013 178.2740 54 G 3.9805 7.7730 108.5058 44.3228 0.0000 171.7387 55 V 4.2729 7.6788 124.7451 58.4521 34.1029 175.7397 56 W 4.4807 8.7523 123.6620 57.6412 29.7312 175.4633 57 T 4.8137 8.7779 119.0587 61.8937 71.8844 172.8486 58 D 5.2090 9.8611 124.5597 51.6173 45.5316 180.9677 59 G 3.7993 8.2619 110.0152 46.9973 0.0000 176.1952 60 I 4.7128 7.7482 119.5636 58.9341 35.8212 174.7376 61 G 4.0095 8.2166 108.7084 46.2086 0.0000 170.5846 62 N 4.7028 8.1875 118.6869 52.8170 39.6457 175.3205 63 T 4.7637 8.4564 113.0591 61.3097 69.7175 172.5267 64 H 4.7980 8.1586 121.7601 55.7039 31.4277 174.2633 65 G 3.6796 8.4832 114.2121 46.6543 0.0000 173.4971 66 V 4.1827 7.8405 118.9220 59.5655 33.1453 174.7585 67 T 4.3051 8.0607 118.7900 58.9603 69.2744 170.9406 68 P 3.4076 0.0000 0.0000 64.1004 31.5288 176.8563 69 G 3.6579 8.3676 109.4519 45.4533 0.0000 173.2442 70 V 4.0225 7.3300 119.8153 60.8710 31.7315 174.7538 71 R 4.7660 8.2531 128.4160 55.0769 30.6090 175.7584 72 K 4.5668 8.5270 125.5107 55.0971 34.1580 176.5230 73 T 3.9614 8.5656 119.1812 64.3605 69.3873 174.9637 74 D 4.3445 8.8208 123.0698 57.7399 40.8967 178.9848 75 Q 4.0141 8.0244 119.6284 59.0581 29.0724 177.7006 76 Q 4.0152 8.0878 120.6256 58.9792 29.1609 177.9819 77 I 3.7974 7.8141 113.5433 63.6281 37.6734 178.1527 78 A 4.2552 7.9919 122.8524 54.7367 18.2395 179.3034 79 A 3.9652 8.2787 119.4492 55.5772 18.5835 179.3773 80 D 4.4385 8.3898 117.4343 57.4295 40.9044 179.1513 81 W 4.5012 8.3161 128.5928 60.5206 30.7034 177.2315 82 E 3.7936 8.7708 119.8360 59.4684 29.0722 178.7657 83 K 3.9039 8.2136 119.1847 59.7616 32.3189 178.4866 84 N 4.3566 8.2867 116.5760 56.2006 38.3869 177.4354 85 I 3.8770 8.3018 121.7159 64.6000 37.1308 178.5099 86 L 4.0588 8.2134 119.8613 57.6584 41.5002 179.5557 87 I 3.6825 7.7675 119.5000 64.4158 37.1003 178.2985 88 A 4.0179 7.9007 120.9632 55.2249 18.1890 179.5164 89 E 3.8664 8.6048 117.5650 59.5307 29.4769 179.4981 90 R 3.9417 8.4498 119.1701 59.4307 30.0389 177.7151 91 C 4.3754 8.0481 117.8494 59.9506 42.2371 175.7440 92 I 3.9089 7.6446 120.8573 64.3995 36.6079 178.3372 93 N 4.5493 8.5730 117.4148 56.6912 38.2800 177.6756 94 Q 4.1145 8.4167 118.3849 58.2704 28.8714 176.8158 95 H 4.8160 8.4321 113.5670 55.4515 30.6031 174.1867 96 F 4.8161 8.0621 116.7158 56.4821 40.5355 174.8148 97 R 3.9804 8.4525 117.7203 56.9074 27.4735 178.6675 98 G 4.0500 8.4849 106.8617 48.1170 0.0000 175.7178 99 K 4.0134 8.0883 118.0031 58.7321 32.2999 176.6487 100 D 4.7289 7.8017 118.8005 54.0299 41.3214 174.8090 *102 P 4.0952 0.0000 0.0000 61.9793 33.9543 176.5383 103 D 4.3424 8.2542 117.9315 57.7385 40.6842 178.9512 104 N 4.3022 8.0759 116.1693 56.2137 38.4452 177.1229 105 A 3.9586 7.8216 120.2963 55.1578 18.6122 178.8665 106 F 4.0453 8.1668 118.1565 61.6342 39.7327 177.2443 107 S 4.2310 8.6346 114.9519 61.2196 62.5480 176.4663 108 A 3.8690 7.8038 120.6982 53.1112 17.7909 179.2056 *110 T 3.9548 7.8440 119.2194 65.0574 70.8441 176.5132 111 S 3.9884 7.8823 115.1162 61.2115 62.0874 176.0386 112 A 3.9386 7.7361 122.1507 55.2299 18.2070 179.2451 113 A 3.9839 7.7751 118.7662 55.0238 18.2535 179.4072 114 F 4.0923 8.3814 119.0830 61.2587 39.5710 176.0327 115 N 4.7270 8.0486 113.3848 53.6851 39.1350 174.6355 *117 G 3.7533 7.2145 107.7426 45.6274 0.0000 174.6035 118 C 4.2133 8.6382 120.0695 59.6047 37.8630 175.6972 119 N 4.2867 8.1727 117.6188 56.5779 37.9836 177.2111 120 S 4.4149 7.5621 114.4453 60.6418 63.0487 175.8330 121 L 3.8685 7.5731 120.3191 55.9946 41.8503 178.4260 122 R 4.5008 7.8823 118.0322 57.2215 30.5496 175.8926 123 T 5.4032 7.2364 105.6155 60.4218 72.4501 172.4794 124 Y 5.0410 8.6143 118.8701 55.4216 42.0550 173.6647 125 Y 4.2544 8.7478 122.0611 57.0459 40.1853 174.4457 126 S 4.5455 7.6742 122.6316 57.1654 62.5130 174.7211 127 K 4.1482 8.7212 128.3603 59.1549 31.9182 178.9113 128 A 4.1230 7.8783 120.1740 55.1114 18.5663 179.1584 129 R 4.1382 7.8696 113.9368 55.6823 31.0049 176.5244 130 G 3.6342 7.8802 106.7880 46.5472 0.0000 173.9741 *132 R 4.1783 7.7367 115.7123 55.8996 31.7226 176.5550 133 V 4.4340 8.0187 114.7543 58.8990 36.4323 174.5332 134 E 4.5420 8.8387 123.5849 57.0602 30.0044 177.0668 135 T 4.5514 8.8085 116.4599 61.3764 70.0898 175.8468 136 S 4.0423 8.7521 118.9866 61.7630 62.8202 176.8110 137 I 3.9715 8.0145 121.0128 64.4114 37.7706 177.3261 138 H 4.4591 8.5770 118.8484 59.1154 29.8423 177.2149 139 K 3.8499 8.1033 120.3883 59.5339 31.8574 179.3540 140 W 4.4332 8.3461 118.8717 59.4486 28.9390 178.4339 141 A 4.3362 8.4119 120.8899 55.7036 17.7381 179.8237 142 Q 3.9756 8.0670 114.8931 58.6978 28.8150 178.4640 143 K 4.2419 7.7563 116.8829 56.0670 32.3225 177.4337 144 G 2.6890 7.4976 107.1938 46.0683 0.0000 174.9867 145 E 4.1158 7.4855 121.7405 53.9146 28.0620 176.8699 146 W 4.3852 7.3973 121.8787 59.6499 30.1756 178.2324 147 V 3.7848 7.9693 117.7887 66.1464 30.8512 178.5876 148 N 3.9709 7.3739 114.3560 53.9446 37.7984 176.2576 *150 C 4.5716 8.3510 117.7122 57.3800 41.9821 175.5582 151 N 4.4553 8.1700 113.5184 54.7066 38.2802 175.8451 152 H 4.7306 7.7549 117.4353 55.6503 29.4334 176.5151 153 L 4.2162 7.8786 122.7041 57.5616 41.3848 177.1885 154 P 4.5153 0.0000 0.0000 64.1819 31.2907 177.6617 155 D 4.3011 8.2257 118.6304 55.7353 41.9568 176.9713 156 F 4.6945 7.6475 119.4339 56.1926 37.6923 175.7389 157 V 4.4779 7.5377 111.3089 60.7206 33.4135 175.0310 158 N 5.3101 8.0675 117.0891 51.5521 40.5769 174.2100 159 S 4.6093 9.0657 116.2675 57.8411 65.1211 173.8054 160 N 3.9435 9.9463 124.6497 54.4095 36.0298 174.0310 161 G 3.9115 8.6424 100.2179 46.2639 0.0000 174.3696 162 V 4.4244 7.6580 118.6103 59.9640 34.7744 172.1962 163 P 4.9484 0.0000 0.0000 62.6127 32.1352 175.3645 164 L 4.6910 8.7521 122.2009 52.7522 43.8579 177.1406 165 R 3.9846 8.9927 123.6223 59.9223 29.8120 178.8358 166 G 3.6279 8.0692 104.5795 47.8158 0.0000 175.4511 167 L 4.1111 7.7944 120.6930 57.0848 41.7639 179.3368 168 K 3.9157 8.3994 119.0197 59.6010 32.0911 179.0863 169 I 3.6747 8.0129 120.2138 64.5524 37.0332 178.5063 170 R 3.9010 8.1703 119.2647 59.6363 29.9315 178.8139 171 R 4.1219 8.4877 118.2436 59.1355 29.9782 178.7128 172 E 4.0004 8.2714 119.4040 59.0047 29.6566 178.8812 173 K 3.9938 8.1804 118.6406 59.3961 32.0634 179.1998 174 E 3.9098 8.3856 118.9182 59.4149 29.4809 179.1942 175 R 3.9224 8.3355 119.1159 59.7590 29.8570 178.5583 176 Q 4.0110 8.0030 116.6448 58.6510 28.9826 178.2459 177 L 4.0602 7.9077 121.3834 58.3123 41.9956 177.8463 178 C 4.2455 8.2449 117.4483 59.9103 43.0417 175.1215 179 L 4.1136 7.8574 118.2155 54.7401 41.5459 176.5692 180 T 4.1340 7.2811 115.1770 63.0408 67.6633 174.5727 181 G 4.0273 8.3523 115.3132 45.2683 0.0000 173.7466 182 L 4.5362 7.8556 118.1100 54.9902 43.0433 176.4111 183 V 4.4962 7.3097 109.4801 58.5971 35.5553 174.3703 184 N 4.2860 8.6834 119.3746 54.0443 38.6414 174.7127 185 E 4.0689 9.0811 128.2268 59.3089 29.9319 177.4923 *186 H 4.4901 8.6936 120.7331 54.5292 29.0502 178.6239 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 9 G 8.34 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 0.00 0.00 0.00 10 G 8.23 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.29 4.63 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 12 I 7.87 4.56 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.92 0.00 0.00 13 C 8.48 4.82 0.00 2.95 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 14 A 8.15 4.51 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 15 I 8.62 3.49 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.88 0.00 0.00 16 A 8.23 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 17 V 7.40 3.93 2.22 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 0.97 0.00 0.00 0.94 0.00 0.00 *19 I 7.98 4.35 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.22 1.01 0.00 0.00 20 T 7.80 4.00 4.27 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 1.33 0.00 0.00 21 I 7.90 3.86 1.96 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 1.22 0.93 0.96 0.00 0.00 22 V 7.52 3.88 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 0.73 0.00 0.00 1.03 0.00 0.00 *24 G 8.08 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 25 N 7.86 4.33 0.00 2.96 2.90 0.00 0.00 7.12 7.62 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 26 G 7.72 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 27 N 8.05 4.60 0.00 2.88 2.86 0.00 0.00 7.12 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.41 4.00 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 0.57 0.00 0.00 0.82 0.00 0.00 29 R 9.11 4.04 0.00 1.56 1.95 0.00 2.75 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 30 T 8.61 4.03 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 1.32 0.00 0.00 31 N 8.63 4.69 0.00 3.02 3.00 0.00 0.00 6.44 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.62 3.91 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 33 A 8.11 4.14 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 34 G 8.56 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 35 L 8.11 3.95 0.00 1.84 1.76 0.78 0.34 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 36 E 8.79 4.05 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 37 L 8.09 3.93 0.00 1.89 1.77 0.91 0.82 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 38 I 7.98 3.77 1.89 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.40 0.00 0.00 39 G 8.72 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.20 4.41 0.00 2.79 2.89 0.00 0.00 7.05 7.00 0.00 0.00 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 A 7.64 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.90 4.18 0.00 1.94 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 2.61 2.67 0.00 43 G 8.72 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 44 C 8.16 5.34 0.00 2.78 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 45 R 8.69 4.97 0.00 1.99 2.04 0.00 3.30 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 1.52 1.53 0.00 46 R 9.10 4.07 0.00 1.92 1.98 0.00 3.11 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 47 D 7.96 5.00 0.00 2.73 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 48 P 0.00 5.40 0.00 1.64 1.99 0.00 3.60 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 49 Y 8.33 5.10 0.00 3.03 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 C 8.64 4.57 0.00 2.86 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 52 P 0.00 4.40 0.00 2.02 1.95 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 53 A 8.56 3.43 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 54 G 7.77 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.68 4.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 56 W 8.75 4.48 0.00 3.19 3.14 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 57 T 8.78 4.81 3.14 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 1.04 0.00 0.00 58 D 9.86 5.21 0.00 2.77 2.56 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 59 G 8.26 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 0.00 0.00 0.00 60 I 7.75 4.71 1.05 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.47 0.28 0.00 0.00 61 G 8.22 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 62 N 8.19 4.70 0.00 2.93 2.85 0.00 0.00 6.75 6.54 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 63 T 8.46 4.76 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 64 H 8.16 4.80 0.00 3.10 3.21 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.48 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.84 4.18 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 0.85 0.00 0.00 1.05 0.00 0.00 67 T 8.06 4.31 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 68 P 0.00 3.41 0.00 1.58 0.74 0.00 3.50 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.44 0.00 69 G 8.37 3.66 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 0.00 0.00 0.00 70 V 7.33 4.02 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 0.74 0.00 0.00 0.88 0.00 0.00 71 R 8.25 4.77 0.00 1.84 1.80 0.00 3.09 0.00 0.00 3.71 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 72 K 8.53 4.57 0.00 1.68 1.72 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.45 7.81 73 T 8.57 3.96 4.44 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 1.22 0.00 0.00 74 D 8.82 4.34 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.02 4.01 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 76 Q 8.09 4.02 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 77 I 7.81 3.80 1.89 0.00 0.00 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 1.53 0.57 0.97 0.00 0.00 78 A 7.99 4.26 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 79 A 8.28 3.97 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 80 D 8.39 4.44 0.00 3.08 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.32 4.50 0.00 3.58 3.39 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 82 E 8.77 3.79 0.00 2.21 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 2.31 2.30 0.00 83 K 8.21 3.90 0.00 1.91 2.02 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81 84 N 8.29 4.36 0.00 3.19 2.62 0.00 0.00 7.05 6.95 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 85 I 8.30 3.88 1.84 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.78 0.00 0.00 86 L 8.21 4.06 0.00 1.82 1.73 0.92 1.04 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 87 I 7.77 3.68 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.89 0.00 0.00 88 A 7.90 4.02 1.52 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 89 E 8.60 3.87 0.00 2.23 2.33 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 2.33 2.59 0.00 90 R 8.45 3.94 0.00 2.08 2.12 0.00 3.12 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 91 C 8.05 4.38 0.00 3.14 3.37 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 92 I 7.64 3.91 1.68 0.00 0.00 0.57 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 0.35 0.83 0.00 0.00 93 N 8.57 4.55 0.00 2.91 2.93 0.00 0.00 7.04 7.25 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 94 Q 8.42 4.11 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 95 H 8.43 4.82 0.00 3.23 2.87 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.06 4.82 0.00 3.22 3.12 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 97 R 8.45 3.98 0.00 2.41 2.32 0.00 3.25 0.00 0.00 3.71 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 98 G 8.48 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 0.00 0.00 0.00 99 K 8.09 4.01 0.00 1.78 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.48 7.81 100 D 7.80 4.73 0.00 3.15 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 *102 P 0.00 4.10 0.00 2.09 1.96 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 103 D 8.25 4.34 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.08 4.30 0.00 2.72 3.10 0.00 0.00 6.99 7.29 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 0.00 105 A 7.82 3.96 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 0.00 106 F 8.17 4.05 0.00 2.95 3.22 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 0.00 107 S 8.63 4.23 0.00 4.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.80 3.87 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 *110 T 7.84 3.95 4.09 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 1.08 0.00 0.00 111 S 7.88 3.99 0.00 3.82 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.10 3.85 0.00 1.65 1.35 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.67 7.81 140 W 8.35 4.43 0.00 3.45 3.34 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 0.00 141 A 8.41 4.34 1.80 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 0.00 0.00 142 Q 8.07 3.98 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 143 K 7.76 4.24 0.00 2.01 1.88 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 144 G 7.50 2.69 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 0.00 0.00 0.00 145 E 7.49 4.12 0.00 2.34 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 2.43 2.72 0.00 146 W 7.40 4.39 0.00 3.30 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 0.00 147 V 7.97 3.78 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 0.94 0.00 0.00 0.97 0.00 0.00 148 N 7.37 3.97 0.00 2.10 1.42 0.00 0.00 7.04 7.54 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 *150 C 8.35 4.57 0.00 3.26 3.21 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 0.00 151 N 8.17 4.46 0.00 2.86 2.79 0.00 0.00 7.04 7.81 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 0.00 152 H 7.75 4.73 0.00 3.21 3.63 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.88 4.22 0.00 1.90 1.80 0.99 1.11 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 0.00 154 P 0.00 4.52 0.00 2.00 2.10 0.00 3.81 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 2.03 2.19 0.00 155 D 8.23 4.30 0.00 1.74 1.96 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 0.00 156 F 7.65 4.69 0.00 3.07 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 0.00 157 V 7.54 4.48 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 0.91 0.00 0.00 0.91 0.00 0.00 158 N 8.07 5.31 0.00 2.73 2.74 0.00 0.00 6.74 7.57 0.00 0.00 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 S 9.07 4.61 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 N 9.95 3.94 0.00 2.86 2.84 0.00 0.00 7.09 7.65 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 0.00 161 G 8.64 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 0.00 0.00 0.00 162 V 7.66 4.42 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 0.98 0.00 0.00 0.94 0.00 0.00 163 P 0.00 4.95 0.00 2.22 2.13 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 164 L 8.75 4.69 0.00 1.73 1.61 0.93 0.61 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 0.00 165 R 8.99 3.98 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 166 G 8.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.79 4.11 0.00 1.86 1.77 0.93 1.06 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 0.00 168 K 8.40 3.92 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 169 I 8.01 3.67 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 1.41 1.07 0.92 0.00 0.00 170 R 8.17 3.90 0.00 1.95 2.07 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 171 R 8.49 4.12 0.00 1.89 2.10 0.00 3.63 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 172 E 8.27 4.00 0.00 2.16 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 2.31 2.39 0.00 173 K 8.18 3.99 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 174 E 8.39 3.91 0.00 2.20 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 2.43 0.00 175 R 8.34 3.92 0.00 1.97 2.13 0.00 3.10 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 176 Q 8.00 4.01 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 177 L 7.91 4.06 0.00 1.77 1.81 0.95 0.84 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 0.00 178 C 8.24 4.25 0.00 3.17 3.32 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 0.00 179 L 7.86 4.11 0.00 1.77 1.69 0.96 0.64 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 0.00 180 T 7.28 4.13 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 1.33 0.00 0.00 181 G 8.35 4.03 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 0.00 0.00 0.00 182 L 7.86 4.54 0.00 1.80 1.78 1.10 0.91 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 0.00 183 V 7.31 4.50 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 0.71 0.00 0.00 1.00 0.00 0.00 184 N 8.68 4.29 0.00 2.68 2.75 0.00 0.00 6.98 7.65 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 0.00 185 E 9.08 4.07 0.00 1.98 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 2.38 0.00 *186 H 8.69 4.49 0.00 2.85 2.75 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.