NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8143 8.1676 115.8742 57.1229 40.2918 177.1246 11 H 4.0165 5.2900 117.9819 54.0592 28.9538 170.3509 12 E 4.3132 9.4672 122.5454 57.4909 30.0263 176.8017 13 M 4.5807 7.1507 114.3016 55.0035 32.4129 176.3609 14 R 4.5642 7.7298 116.8714 55.6087 32.5215 175.5782 15 E 4.0823 8.0170 117.3810 55.0012 30.2445 174.5303 16 P 4.0007 0.0000 0.0000 62.4155 32.3816 175.0375 17 R 4.1633 7.2829 112.8982 55.6189 32.9424 173.7412 18 I 4.2849 8.5532 122.0245 60.7071 38.1785 174.8963 19 E 4.4973 8.7454 129.1554 54.4565 31.3026 172.0350 20 K 4.4913 8.7486 132.3118 55.3699 34.1396 174.4993 21 V 4.5331 7.8538 119.6757 61.2402 34.7213 174.0340 22 V 4.5116 8.3141 129.1573 61.7484 33.1199 175.0499 23 V 5.1216 8.4217 122.9423 59.3577 33.2626 174.5573 24 H 5.1653 8.5481 124.9545 54.5391 33.4332 172.1124 25 M 4.3189 8.5649 124.7586 53.3551 33.1310 175.2155 26 G 4.0912 7.9641 112.3012 46.1924 0.0000 171.4376 27 I 4.1434 7.6488 126.7110 60.4156 39.6019 176.3174 28 G 4.0476 7.7975 111.5956 45.4040 0.0000 172.5207 29 H 4.6378 7.8676 116.3211 55.3970 30.0690 173.9288 *35 A 4.2143 7.0485 123.3212 52.1407 19.0483 176.6149 36 N 4.4855 8.8688 111.5079 56.5822 36.5963 176.6354 37 A 3.7183 8.0153 122.3115 54.5855 18.3113 178.8855 38 E 3.9247 8.6799 118.1273 60.1642 29.4686 179.1447 39 D 4.4472 7.5349 118.4939 57.6531 40.8717 179.6853 40 I 3.7531 7.7453 112.7866 63.9940 37.6288 177.9890 41 L 4.0981 7.7318 120.9615 57.4923 41.4138 179.6051 42 G 3.6546 8.4407 106.0457 47.8359 0.0000 175.5408 43 E 4.0687 7.7739 120.0054 58.9954 29.7661 178.7641 44 I 3.9154 8.1866 118.3680 63.3959 38.0337 176.6850 45 T 4.5597 7.9469 108.6419 63.8238 69.9743 174.8288 46 G 3.9058 7.2583 109.3593 44.1395 0.0000 173.2924 47 Q 4.5803 7.7696 115.1618 54.3112 31.5480 174.0865 48 M 3.8064 8.5118 118.8063 55.5605 32.5008 174.7126 49 P 4.8485 0.0000 0.0000 61.7660 33.4991 175.1296 50 V 4.4920 8.2586 120.1936 60.8657 34.4818 175.3344 51 R 4.3952 8.6736 125.2495 56.9991 31.2453 176.7955 52 T 4.4926 8.7057 118.0477 61.4448 70.2108 174.0225 53 K 5.3735 8.7706 124.7866 55.7244 33.2887 175.6391 54 A 4.8861 8.7210 122.6534 50.2469 22.1599 175.7457 55 K 4.4946 8.4266 117.5122 55.5428 35.0013 175.0088 56 R 4.1586 8.4103 122.4889 56.2522 29.6537 175.9538 57 T 4.6735 8.2479 117.0942 62.4553 70.0125 174.5792 58 V 4.5510 9.0575 125.3587 60.6635 35.0596 175.8730 59 G 3.8397 8.9220 112.8696 48.7573 0.0000 175.1793 60 E 4.2638 8.0884 118.8565 57.8886 28.2566 176.0753 61 F 4.1615 7.8589 113.5040 60.4017 38.7236 174.9163 62 D 4.9301 7.9640 117.9762 51.7883 40.2795 175.4943 63 I 3.9708 7.6833 114.6742 61.1132 39.5065 177.3357 64 R 3.8304 7.9424 121.4525 56.2409 29.3830 174.8468 65 E 3.9243 8.2058 128.8249 58.5650 30.3141 176.1390 66 G 3.8953 7.8643 109.9128 46.4987 0.0000 171.8743 67 D 4.5652 8.2606 121.7202 51.6030 42.4265 173.4890 68 P 4.5848 0.0000 0.0000 62.4799 31.1533 176.4962 69 I 4.6016 9.1857 126.1368 59.1683 39.6639 175.0113 70 G 4.4456 7.5246 107.7512 43.3932 0.0000 172.2310 71 A 5.9325 8.0844 121.0697 49.4080 23.3723 174.9140 72 K 5.0625 8.2769 116.7000 55.9285 36.9619 175.4255 73 V 4.6374 8.3532 119.7763 61.8385 35.0351 173.1411 74 T 4.7283 8.5465 118.8281 60.3244 70.0022 173.7319 75 L 4.7305 8.4437 127.0353 52.9271 44.0343 176.0399 76 R 4.8490 8.0710 120.8300 54.4729 33.9985 176.4705 77 D 4.4072 8.9181 120.6715 55.7356 39.1434 176.5684 78 E 3.9904 8.9156 124.8242 60.8833 27.8137 178.2748 79 M 4.2063 8.2401 117.8962 58.2999 31.8669 178.3907 80 A 4.3586 7.8930 120.5946 54.7477 18.9608 179.2990 81 E 3.9523 8.1143 116.6427 59.6068 29.5825 179.0482 82 E 3.9726 8.4875 118.4824 59.0548 29.8605 179.1210 83 F 4.4040 7.5630 118.3432 60.8065 39.9251 177.6673 84 L 4.2323 8.2939 118.2438 57.4137 41.0505 179.0004 85 Q 4.1075 8.0267 115.7141 56.5276 28.3000 176.1599 86 T 4.5543 7.6524 109.0059 62.6472 74.3255 175.1355 87 A 3.9892 7.7637 125.6472 54.9438 19.0236 179.0845 88 L 3.6321 8.1841 114.7806 57.5489 41.8479 178.1725 89 P 4.2149 0.0000 0.0000 65.6628 31.2477 177.1372 90 L 4.3452 8.0690 115.5119 54.6665 41.5934 176.1155 91 A 4.8641 8.2175 121.5851 50.4426 21.9436 175.2165 92 E 4.4214 8.3114 116.2308 58.5421 31.7889 176.6297 93 L 3.7261 6.8954 116.1452 52.6559 43.3991 175.7133 94 A 4.4972 8.6359 122.5436 52.6025 21.2795 174.9143 95 T 3.1640 8.7158 110.1924 62.9318 69.3354 173.9663 96 S 3.8058 8.6461 119.1049 60.4823 63.3694 173.2206 97 Q 4.5344 10.7000 118.6462 55.7815 28.5245 174.8418 98 F 4.9273 7.6793 114.4967 54.9695 41.4533 175.0061 99 D 4.6820 9.6858 123.6770 54.3230 41.6167 176.0916 100 D 4.6589 8.5576 120.4600 55.6742 41.2312 177.5364 101 T 4.5719 7.2792 112.8881 62.2953 68.8154 174.6484 102 G 3.9501 8.3515 108.7663 46.4606 0.0000 173.0740 103 N 5.2689 7.7039 116.7783 51.2515 41.7540 173.2252 104 F 4.3808 7.2831 109.0572 56.3748 41.1167 172.9835 105 S 5.0536 8.8462 116.3615 56.4264 64.8899 172.6853 106 F 4.9399 8.8316 120.8168 55.4768 41.5470 172.5747 107 G 4.3154 8.9534 102.2746 44.3617 0.0000 173.1139 *128 L 4.0198 8.5473 122.7457 55.1607 43.6073 176.4571 129 D 4.8315 8.5805 125.8798 52.8886 43.8947 176.1702 130 V 4.2122 7.9957 121.1245 61.9660 34.5081 173.8456 131 T 4.6917 8.5698 125.2617 61.6175 71.7334 174.1468 132 V 4.1706 7.7194 124.2998 61.0922 34.3891 173.7076 133 N 4.7721 8.6142 127.6532 52.5229 40.0455 173.7075 134 L 5.3309 8.0954 125.8020 53.2494 45.2365 175.7169 135 V 4.2128 7.8076 120.2044 61.3536 34.7738 171.4489 136 R 4.5674 8.3096 116.9624 54.9934 31.3547 177.3231 137 P 4.0332 0.0000 0.0000 65.3159 32.2820 177.3527 138 G 4.1444 7.7635 105.8738 46.0515 0.0000 175.3017 139 Y 4.3006 8.1172 122.6262 60.0044 38.9824 175.8488 140 R 3.7795 8.2304 119.4447 59.3641 29.9815 178.1151 141 V 3.5154 7.4241 116.8334 65.3467 31.1637 176.8158 142 A 5.0989 7.6379 119.1001 51.2579 19.4932 177.2270 143 K 4.2458 7.5487 115.2750 55.8767 33.8499 176.7053 144 R 4.2830 7.5612 115.1335 55.4131 30.7387 176.4323 145 D 4.4543 8.4547 117.2434 57.0027 41.0777 177.7132 146 K 4.0062 7.9440 118.4868 57.6313 32.6419 177.0005 147 A 3.6689 8.7215 124.3321 52.3955 16.2752 176.8557 148 S 4.5294 7.1889 113.4486 60.9424 63.9094 173.0102 149 R 4.4940 8.4978 118.7135 55.6586 33.8225 173.4071 150 S 4.7987 8.4888 117.2253 57.2021 63.7643 173.6249 151 I 4.0183 8.2085 126.4325 60.1600 37.9413 174.4910 152 P 4.4101 0.0000 0.0000 62.7163 32.1688 177.2648 153 T 3.9309 8.7569 112.5274 65.2950 68.0458 176.7307 154 K 4.0350 7.9525 119.7447 59.3084 32.3145 177.8097 155 H 4.5973 7.9153 114.8819 55.9016 30.0777 175.2344 156 R 4.2371 7.1203 118.3996 56.3635 30.5488 175.2154 157 L 4.5210 8.1485 120.8053 53.8242 43.3379 175.6688 158 N 4.7157 8.1877 123.2574 51.6400 41.0924 174.4254 159 P 4.3168 0.0000 0.0000 65.9988 31.4389 178.6474 160 A 3.8726 7.9275 118.6541 55.4127 18.0614 179.1639 161 D 4.4437 8.1789 115.8933 56.5311 40.8641 178.7926 162 A 4.0898 7.6011 121.6977 54.7751 19.0551 179.2818 163 V 3.1642 7.5545 116.5526 66.3801 31.3619 177.5558 164 A 3.9426 7.8761 119.9525 55.2406 17.9393 178.8970 165 F 4.1048 7.6975 117.6168 61.7699 39.7172 177.6474 166 I 3.5366 7.8398 118.6847 64.4026 36.8220 177.8673 167 E 4.4524 8.3753 120.3289 58.5003 29.3859 177.6383 168 S 4.5335 8.1543 112.2346 57.8496 64.7947 175.0862 169 T 4.7564 7.8943 112.6304 62.7473 70.7964 173.1918 170 Y 3.3825 7.9245 116.9849 57.9589 35.2497 168.9793 171 D 4.4089 6.8914 117.2391 54.0553 43.6995 175.3429 172 V 4.7500 7.9856 117.0273 61.2207 35.7297 178.4185 173 E 4.3592 8.9479 122.2357 56.3694 28.7660 177.3324 174 V 4.0180 7.7584 116.6756 63.7822 31.7767 175.0401 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 10 F 8.17 4.81 0.00 3.36 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 H 5.29 4.02 0.00 3.10 2.36 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.47 4.31 0.00 1.64 1.87 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 2.07 2.16 0.00 13 M 7.15 4.58 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 14 R 7.73 4.56 0.00 1.78 1.98 0.00 3.44 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 15 E 8.02 4.08 0.00 2.16 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 0.00 2.33 2.29 0.00 16 P 0.00 4.00 0.00 0.94 1.60 0.00 3.66 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 2.12 2.00 0.00 17 R 7.28 4.16 0.00 1.88 1.82 0.00 2.74 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 18 I 8.55 4.28 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.97 0.00 0.00 19 E 8.75 4.50 0.00 1.85 1.71 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 2.19 2.22 0.00 20 K 8.75 4.49 0.00 2.08 1.95 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.31 7.81 21 V 7.85 4.53 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 1.01 0.00 0.00 0.96 0.00 0.00 22 V 8.31 4.51 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 0.88 0.00 0.00 0.84 0.00 0.00 23 V 8.42 5.12 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 -0.02 0.00 0.00 0.69 0.00 0.00 24 H 8.55 5.17 0.00 3.16 2.99 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.56 4.32 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 26 G 7.96 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 0.00 0.00 0.00 0.00 27 I 7.65 4.14 1.77 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 1.10 0.73 0.76 0.00 0.00 28 G 7.80 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 29 H 7.87 4.64 0.00 3.17 3.33 0.00 5.76 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 *35 A 7.05 4.21 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 36 N 8.87 4.49 0.00 2.92 3.13 0.00 0.00 5.87 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 37 A 8.02 3.72 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 38 E 8.68 3.92 0.00 1.95 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 2.32 2.49 0.00 39 D 7.53 4.45 0.00 2.57 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 40 I 7.75 3.75 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 1.80 1.17 0.91 0.00 0.00 41 L 7.73 4.10 0.00 1.88 1.72 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.44 3.65 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 0.00 0.00 0.00 43 E 7.77 4.07 0.00 1.92 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 2.35 2.48 0.00 44 I 8.19 3.92 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.86 1.09 0.00 0.00 45 T 7.95 4.56 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 0.92 0.00 0.00 46 G 7.26 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 47 Q 7.77 4.58 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 48 M 8.51 3.81 0.00 2.00 2.07 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 2.61 2.60 0.00 49 P 0.00 4.85 0.00 1.91 1.95 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 50 V 8.26 4.49 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 0.91 0.00 0.00 51 R 8.67 4.40 0.00 1.72 1.84 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.71 4.49 4.36 0.00 0.00 0.00 0.00 0.00 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 53 K 8.77 5.37 0.00 1.63 1.74 0.00 1.73 0.00 0.00 2.36 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.72 4.89 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 55 K 8.43 4.49 0.00 1.72 1.70 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 56 R 8.41 4.16 0.00 1.98 1.99 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 57 T 8.25 4.67 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 1.24 0.00 0.00 58 V 9.06 4.55 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 0.99 0.00 0.00 0.94 0.00 0.00 59 G 8.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.09 4.26 0.00 2.14 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 2.31 2.34 0.00 61 F 7.86 4.16 0.00 3.04 2.98 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 62 D 7.96 4.93 0.00 2.95 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 63 I 7.68 3.97 1.93 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 1.45 0.85 1.06 0.00 0.00 64 R 7.94 3.83 0.00 1.77 2.04 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 65 E 8.21 3.92 0.00 1.97 1.82 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 2.29 2.30 0.00 66 G 7.86 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 67 D 8.26 4.57 0.00 2.64 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 68 P 0.00 4.58 0.00 1.94 2.03 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 69 I 9.19 4.60 1.96 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 1.14 1.08 0.93 0.00 0.00 70 G 7.52 4.45 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 0.00 71 A 8.08 5.93 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 72 K 8.28 5.06 0.00 1.75 1.87 0.00 1.44 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.35 4.64 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 0.91 0.00 0.00 0.86 0.00 0.00 74 T 8.55 4.73 4.19 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 1.15 0.00 0.00 75 L 8.44 4.73 0.00 1.49 1.53 0.49 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.07 4.85 0.00 1.63 1.78 0.00 3.32 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 77 D 8.92 4.41 0.00 2.89 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 0.00 0.00 0.00 0.00 78 E 8.92 3.99 0.00 2.02 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 2.42 2.42 0.00 79 M 8.24 4.21 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 80 A 7.89 4.36 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 81 E 8.11 3.95 0.00 2.16 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 2.45 2.63 0.00 82 E 8.49 3.97 0.00 2.01 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 2.36 2.54 0.00 83 F 7.56 4.40 0.00 3.24 3.26 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 0.00 84 L 8.29 4.23 0.00 2.01 1.81 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.03 4.11 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 86 T 7.65 4.55 4.10 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 1.14 0.00 0.00 87 A 7.76 3.99 1.26 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 0.00 0.00 0.00 88 L 8.18 3.63 0.00 1.73 1.69 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.21 0.00 2.12 2.12 0.00 3.66 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 2.00 2.12 0.00 90 L 8.07 4.35 0.00 1.80 1.73 0.93 0.63 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 91 A 8.22 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.31 4.42 0.00 1.92 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 2.18 2.28 0.00 93 L 6.90 3.73 0.00 1.71 1.87 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.64 4.50 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 95 T 8.72 3.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 96 S 8.65 3.81 0.00 4.23 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 0.00 97 Q 10.70 4.53 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 98 F 7.68 4.93 0.00 3.00 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 99 D 9.69 4.68 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.56 4.66 0.00 2.73 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 0.00 101 T 7.28 4.57 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 1.23 0.00 0.00 102 G 8.35 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 0.00 103 N 7.70 5.27 0.00 2.97 2.80 0.00 0.00 6.60 8.13 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 0.00 104 F 7.28 4.38 0.00 2.56 1.63 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 0.00 105 S 8.85 5.05 0.00 3.72 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 0.00 106 F 8.83 4.94 0.00 3.15 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 0.00 107 G 8.95 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 0.00 0.00 0.00 0.00 *128 L 8.55 4.02 0.00 1.75 1.60 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.58 4.83 0.00 2.74 2.45 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 0.00 130 V 8.00 4.21 0.93 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 0.87 0.00 0.00 0.91 0.00 0.00 131 T 8.57 4.69 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 1.04 0.00 0.00 132 V 7.72 4.17 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 1.09 0.00 0.00 0.78 0.00 0.00 133 N 8.61 4.77 0.00 2.81 2.88 0.00 0.00 6.61 6.11 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 0.00 134 L 8.10 5.33 0.00 1.71 1.51 1.34 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.81 4.21 1.58 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 0.27 0.00 0.00 0.70 0.00 0.00 136 R 8.31 4.57 0.00 1.80 1.97 0.00 2.95 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 137 P 0.00 4.03 0.00 2.28 2.12 0.00 3.62 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 1.91 2.11 0.00 138 G 7.76 4.14 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 0.00 139 Y 8.12 4.30 0.00 3.15 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 0.00 140 R 8.23 3.78 0.00 1.93 1.93 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 141 V 7.42 3.52 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 0.92 0.00 0.00 0.96 0.00 0.00 142 A 7.64 5.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.55 4.25 0.00 1.61 1.76 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.75 1.42 7.81 144 R 7.56 4.28 0.00 1.89 1.92 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 145 D 8.45 4.45 0.00 2.67 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 0.00 146 K 7.94 4.01 0.00 1.80 1.71 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.72 3.67 1.28 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 0.00 148 S 7.19 4.53 0.00 3.83 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 0.00 149 R 8.50 4.49 0.00 1.90 1.72 0.00 3.12 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 150 S 8.49 4.80 0.00 3.91 3.73 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 0.00 151 I 8.21 4.02 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 1.05 0.00 0.00 152 P 0.00 4.41 0.00 2.21 2.00 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.76 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 154 K 7.95 4.04 0.00 1.77 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.92 4.60 0.00 3.17 3.46 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.12 4.24 0.00 2.08 1.88 0.00 3.41 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 157 L 8.15 4.52 0.00 1.66 1.71 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.19 4.72 0.00 3.02 2.72 0.00 0.00 6.58 7.91 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 0.00 159 P 0.00 4.32 0.00 2.15 2.24 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 160 A 7.93 3.87 1.28 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 0.00 161 D 8.18 4.44 0.00 2.71 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 0.00 162 A 7.60 4.09 1.58 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 0.00 0.00 0.00 163 V 7.55 3.16 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 0.75 0.00 0.00 0.25 0.00 0.00 164 A 7.88 3.94 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 0.00 165 F 7.70 4.10 0.00 2.99 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.84 3.54 1.85 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.89 0.89 0.00 0.00 167 E 8.38 4.45 0.00 1.88 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 2.27 2.18 0.00 168 S 8.15 4.53 0.00 3.84 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 0.00 169 T 7.89 4.76 4.19 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 1.18 0.00 0.00 170 Y 7.92 3.38 0.00 3.03 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 0.00 171 D 6.89 4.41 0.00 2.88 2.82 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 0.00 172 V 7.99 4.75 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 8.95 4.36 0.00 1.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 174 V 7.76 4.02 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 1.05 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.