NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3226 8.3349 117.0870 58.2024 63.9491 174.0962 9 M 4.0393 7.7822 123.2598 57.5810 32.7042 176.9921 10 A 4.2134 7.7528 120.4933 54.3423 19.9961 176.1675 11 H 4.7564 7.4143 108.7554 54.3552 31.0285 174.7047 12 G 3.8797 8.3410 109.6269 44.1431 0.0000 171.2653 13 P 4.2684 0.0000 0.0000 63.4458 31.2883 175.3681 14 G 4.1579 8.0653 107.6762 44.3724 0.0000 170.7235 15 A 4.3955 7.9971 118.6549 50.3682 22.1081 175.9749 16 L 3.9472 8.3330 121.0838 56.2679 43.1280 175.3571 17 M 5.0210 8.6789 125.3434 54.1280 33.7786 174.8312 18 L 5.0224 9.0442 125.6415 52.8627 45.7548 175.2733 19 K 4.9029 9.2788 121.9873 54.9578 35.1532 174.2296 20 C 5.1671 9.4101 128.7316 57.5614 34.1664 172.4991 21 V 5.0134 8.1422 125.6344 61.1048 33.8901 174.0544 22 V 4.9090 8.6298 127.0641 61.4286 33.6192 174.9183 23 V 4.4420 9.4235 120.2482 59.2845 36.4851 174.5523 24 G 3.4538 6.0728 106.2794 43.3046 0.0000 172.8223 25 D 5.0245 8.2618 119.8264 53.4634 41.4361 176.4913 26 G 3.6978 8.6760 109.8494 47.8303 0.0000 173.3931 27 A 3.8221 8.9033 126.2334 52.6753 15.8304 178.9134 28 V 3.7938 7.3743 111.6816 63.4946 32.1077 177.4989 29 G 4.0398 8.4810 108.6019 45.4395 0.0000 175.2604 30 K 3.7269 7.9757 118.6956 59.8296 31.7965 178.5354 31 T 3.9580 7.8161 114.6064 67.4586 68.5840 176.3294 32 C 3.8760 7.8974 117.5386 62.3381 28.1324 175.8301 33 L 3.9730 8.2435 122.5723 58.1901 41.7476 179.0546 34 L 4.0797 7.9447 118.9101 58.2000 41.4973 179.4886 35 M 3.2565 7.8357 118.5962 57.7536 31.3935 178.7879 36 S 4.5078 7.8265 114.9779 60.6906 62.7107 175.6021 37 Y 4.1261 8.0968 122.1550 60.5293 38.3301 177.6817 38 A 3.7730 7.7007 120.3871 54.7976 18.8069 178.5531 39 N 4.5520 8.2038 112.8834 52.0667 38.7511 174.9420 40 D 4.2584 7.7646 116.7786 52.9624 40.6460 172.9571 41 A 4.6677 7.3447 116.0948 49.8061 22.4776 176.5444 42 F 4.2930 8.7908 124.4463 57.2054 40.0080 173.1658 43 P 4.0585 0.0000 0.0000 63.0194 31.2833 175.4181 44 E 4.3949 8.5858 124.0596 57.7822 31.4214 177.0492 45 E 4.5994 7.5753 124.2911 56.1738 28.4790 177.6810 46 Y 4.3770 8.5549 131.1648 57.0187 39.2701 174.6297 47 V 3.6685 7.4679 127.8837 60.7522 32.2230 173.8827 48 P 4.4532 0.0000 0.0000 62.2865 32.3388 176.4093 49 T 3.9076 8.6291 116.1095 66.1483 68.4227 175.0864 50 V 4.5710 7.3599 118.1252 60.7854 34.4123 174.2877 51 F 4.7566 8.8550 129.4501 57.2403 40.0602 175.0390 52 D 4.2864 8.2639 126.6973 54.4662 41.2325 176.0309 53 H 4.1137 7.9757 118.6607 57.1111 29.2801 174.0606 54 Y 4.5474 7.9838 120.2675 56.4229 42.4671 173.1207 55 A 5.9172 7.7625 125.4396 49.3293 22.7499 175.5620 56 V 4.6470 8.1809 111.6329 59.3084 36.2368 175.2106 57 S 4.9465 8.6609 118.3337 58.5257 64.1371 173.6993 58 V 4.6714 8.8311 114.8583 60.0011 36.3370 174.7385 59 T 4.3293 8.6777 121.2797 63.8160 69.9150 174.4034 *60 V 3.6673 9.4945 127.3742 61.0714 31.9155 174.0411 61 G 4.1457 8.2607 107.6704 44.5581 0.0000 173.2624 62 G 3.9407 8.2107 103.3736 45.9621 0.0000 171.6765 63 K 4.5450 7.8052 118.6536 54.1460 34.9257 174.8130 64 Q 5.0662 8.0008 119.6905 54.9921 31.0334 174.2863 65 Y 5.0445 8.5800 117.0668 56.5423 43.2058 173.9292 66 L 5.1018 8.9473 122.1758 53.0737 44.4423 175.3660 67 L 4.7211 9.0539 127.8987 53.6444 43.3439 175.5900 68 G 4.2768 9.5402 115.9096 45.8688 0.0000 171.6087 69 L 5.3814 9.4551 125.8106 53.3725 44.2402 174.9774 70 Y 4.4960 9.3462 123.0509 56.2201 40.0984 175.0964 71 D 5.2945 8.9115 124.3213 53.7982 43.0173 175.4323 72 T 4.8712 7.9069 112.6819 59.8718 71.8645 173.7297 73 A 3.9213 8.8066 127.7440 52.3393 18.8893 177.4921 74 G 4.5736 8.1886 107.8901 44.6896 0.0000 174.8637 75 Q 4.4544 7.8003 118.7977 55.7384 30.0688 174.7779 76 E 4.9443 8.5986 115.2379 56.8114 31.2813 177.0691 77 D 4.3660 8.3672 118.0477 56.8108 39.5741 176.5322 78 Y 4.5744 8.0803 114.3269 57.6683 37.9524 176.7316 79 D 4.2879 8.1268 120.8412 57.6979 41.3708 178.7722 80 R 3.8982 7.9972 117.3155 59.3588 30.1654 177.7622 81 L 4.4513 7.2594 113.5719 54.7953 42.7428 178.6833 82 R 3.8075 7.7879 120.1860 58.9863 30.2088 176.4103 83 P 2.9700 0.0000 0.0000 63.8119 30.9105 178.1384 84 L 3.9836 7.2260 117.8683 57.9393 41.6034 179.1072 85 S 4.3463 8.0237 113.7823 60.8000 62.9578 175.6525 86 Y 4.6274 7.7544 119.7540 59.0408 37.8352 174.1836 87 P 4.2760 0.0000 0.0000 64.5726 31.8269 175.6503 88 M 3.1893 8.6438 121.0324 56.6440 29.5207 177.3053 89 T 4.0347 7.4010 113.8749 63.5804 69.3501 174.5728 90 D 4.9512 8.3487 123.4266 55.0458 43.2905 177.2078 91 V 4.6487 7.2165 116.0222 60.6177 34.5480 172.8931 92 F 5.2693 9.0295 121.9911 56.0416 41.9163 174.4847 93 L 5.0870 8.6946 121.4747 53.2048 44.3867 175.6608 94 I 4.4607 8.9218 125.8869 60.2326 38.1952 174.4169 95 C 5.2172 8.6039 126.1274 58.3435 30.0742 173.2442 96 F 5.1426 8.4965 117.0036 55.0752 41.6914 173.4274 97 S 5.4270 8.5364 115.1484 56.7163 63.3904 175.4382 98 V 4.1046 8.6585 120.3952 63.4180 31.4370 177.6395 99 V 4.2457 7.5587 112.7665 60.8912 32.1917 175.9445 100 N 4.9679 8.2995 120.3409 49.6730 39.0373 172.4570 101 P 4.3002 0.0000 0.0000 65.3594 31.4162 177.3895 102 A 4.0975 8.0878 119.7352 55.2201 18.0733 179.8526 103 S 4.2722 8.2665 111.8089 61.3225 63.4916 176.2904 104 F 3.9037 8.1312 124.0924 61.2376 38.7975 176.9419 105 Q 3.9401 8.2621 117.0767 58.1128 28.5105 177.4366 106 N 4.3795 7.7763 116.5566 54.6454 38.8080 176.7622 107 V 3.8555 7.6797 120.9331 65.5573 31.3560 177.4691 108 K 3.8220 7.6931 120.9576 58.7810 32.3760 177.6761 109 E 4.4212 7.4460 116.5697 56.1176 30.4008 175.7555 110 E 4.2036 7.5394 115.0310 57.4287 32.9963 177.6207 111 W 4.3997 7.9869 118.3899 59.3515 29.2492 179.0703 112 V 3.3428 7.9435 118.3516 65.2577 31.0639 176.3417 113 P 4.1664 0.0000 0.0000 65.5250 31.0079 178.0292 114 E 4.0832 7.7123 116.6895 59.4727 29.5171 178.9594 115 L 3.8034 7.6446 118.6820 57.3565 41.4146 179.2051 116 K 4.0369 7.8092 118.3812 58.6147 32.1555 177.7061 117 E 4.1809 7.8234 117.9388 57.6443 29.8723 176.5237 118 Y 4.6521 7.7297 113.2953 57.7094 41.7019 175.8376 119 A 4.9136 8.0794 121.1361 49.4119 19.1227 174.1853 120 P 4.2847 0.0000 0.0000 65.2807 31.5064 179.1517 121 N 4.9962 8.0573 114.5133 52.1796 39.2157 174.3368 122 V 4.3354 7.4994 118.0576 60.4366 33.1502 173.7980 123 P 4.7068 0.0000 0.0000 63.1750 32.9421 174.9146 124 F 5.5041 7.8896 114.1284 55.9736 41.4781 173.1578 125 L 5.0190 9.1735 120.6172 53.2404 45.1123 175.0273 126 L 5.2392 8.5591 122.3302 53.7068 44.4180 175.0263 127 I 4.7161 8.7529 127.8183 59.4042 40.0580 174.8882 128 G 3.5954 8.3557 115.5009 45.0189 0.0000 172.9683 129 T 4.8621 8.3132 115.5137 59.5093 72.6718 173.8416 130 Q 3.2981 8.4926 116.9247 56.8950 26.1077 175.8693 131 I 3.9245 7.5221 111.4973 62.6989 37.8660 177.3888 132 D 4.3708 7.9198 120.2165 55.5851 39.6716 177.0485 133 L 4.2498 7.9168 119.5533 55.7607 42.1602 178.5070 134 R 3.9469 7.3804 118.8994 58.7865 30.5231 176.0479 135 D 4.7865 7.6439 115.1586 51.0847 39.3535 175.4699 136 D 4.7060 8.2758 119.2938 52.8402 42.7014 173.4062 137 P 4.2356 0.0000 0.0000 66.0441 31.2311 178.5946 138 K 4.0157 8.0690 116.2673 59.7184 32.0224 179.5222 139 T 3.9130 7.9742 115.4432 66.7268 68.3666 176.8971 140 L 4.0090 8.0705 120.6387 57.6867 41.3258 179.4988 141 A 4.0177 7.7389 119.8102 54.8933 18.2476 179.5818 142 R 3.8521 7.5374 116.3161 59.4827 30.4213 178.5584 143 L 4.2009 8.0441 118.8505 57.7019 41.4768 178.3157 144 N 4.6551 8.0666 113.1928 53.8639 38.4360 176.5055 145 D 4.5399 7.7125 122.7104 56.9464 41.1170 176.7627 146 M 4.3329 7.9632 117.2214 54.3844 32.0977 175.8788 147 K 4.0086 8.0271 113.2794 57.0267 30.0575 174.6898 148 E 4.4449 7.6109 117.1407 55.4935 30.4158 175.7855 149 K 4.7228 8.0112 119.2430 54.0299 36.0044 174.0753 150 P 4.5795 0.0000 0.0000 62.6482 31.9721 176.2766 151 I 3.7777 8.1933 123.3275 61.7386 37.6599 175.5224 152 C 4.5929 8.2796 120.6317 56.5222 32.3484 174.7310 153 V 3.7758 8.4980 117.9767 66.5146 30.9334 177.7376 154 E 4.0155 8.1518 117.5497 59.4036 29.3443 179.2076 155 Q 4.1108 7.8981 118.5789 58.6431 28.7722 178.7898 156 G 2.7061 7.6256 106.4331 47.3345 0.0000 175.7998 157 Q 3.9407 7.4883 120.0937 58.4501 28.9357 178.2826 158 K 3.8444 7.8513 120.6798 59.7051 32.2603 178.5054 159 L 4.0558 7.8801 119.9879 58.1033 41.8907 178.7838 160 A 4.1516 8.0236 120.7125 54.7753 18.1207 179.8862 161 K 3.9350 7.8771 117.3563 59.5221 32.0001 179.3358 162 E 3.9658 7.8263 117.5232 59.4556 29.4116 178.5796 163 I 3.9275 7.5118 109.1539 61.5583 38.0616 176.5873 164 G 3.7256 7.8312 109.1164 45.9666 0.0000 173.6995 165 A 3.4708 7.3073 121.3093 51.7309 18.9085 178.7019 166 C 4.1587 8.0334 117.4727 62.7285 28.6575 173.4934 167 C 4.7307 7.3283 112.1958 58.1094 32.3125 171.7311 168 Y 5.3718 8.7210 120.1997 56.0458 40.0469 174.8292 169 V 4.1942 8.1421 125.6406 60.9584 35.2746 173.8926 170 E 5.0621 8.1776 124.9642 54.9042 33.1796 174.4009 171 C 4.9085 8.6041 116.0009 57.3672 34.2188 172.3302 172 S 4.8824 8.6695 113.3383 56.2231 63.9426 174.7442 173 A 4.1087 8.9657 130.3868 55.1852 18.7031 178.3566 174 L 3.3806 7.9641 117.0856 57.9610 42.1013 177.8122 175 T 4.2119 7.5712 105.3062 60.9580 69.7809 175.6154 176 Q 3.7847 8.3559 120.6154 55.6044 27.7896 173.1582 177 K 3.9105 7.3271 119.4884 58.2069 32.6450 177.5625 178 G 4.1611 8.9094 113.1198 47.0866 0.0000 175.1785 179 L 3.9163 7.8617 121.2986 58.1156 42.0409 178.5076 180 K 4.0563 8.2396 119.0224 60.1955 32.0443 178.4454 181 T 3.8420 7.9168 115.1900 66.4879 68.3680 176.2289 182 V 3.2968 7.6845 120.1305 66.3029 31.4110 178.0891 183 F 4.1209 7.7084 116.5866 59.9280 38.8334 177.5808 184 D 4.4469 8.5487 119.2337 57.7226 40.5992 178.7987 185 E 4.0505 8.3877 118.4054 58.7423 29.4368 179.0577 186 A 3.9219 7.7696 121.1597 55.0684 18.3949 179.7023 187 I 3.5660 7.7650 118.2256 64.5284 37.1865 178.5974 188 I 3.5873 7.7048 120.2687 64.5572 36.7845 178.1159 189 A 3.9407 7.8514 120.0000 55.4193 18.0647 179.6313 190 I 3.8506 7.1795 116.9273 64.4600 37.5595 178.1039 191 L 4.3716 7.9046 116.6256 55.2211 42.1530 178.9241 192 T 4.2794 7.8270 119.8158 62.4519 67.3190 173.3928 193 P 4.4469 0.0000 0.0000 62.0937 30.8263 175.5873 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 S 8.33 4.32 0.00 3.65 3.79 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 9 M 7.78 4.04 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 10 A 7.75 4.21 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 11 H 7.41 4.76 0.00 3.18 3.24 0.00 5.73 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 12 G 8.34 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.27 0.00 2.17 2.08 0.00 3.71 0.00 0.00 3.65 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 14 G 8.07 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 0.00 0.00 0.00 0.00 15 A 8.00 4.40 1.17 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 0.00 0.00 16 L 8.33 3.95 0.00 1.82 1.77 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.68 5.02 0.00 2.10 1.96 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 2.54 2.61 0.00 18 L 9.04 5.02 0.00 1.62 1.52 0.76 0.49 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 19 K 9.28 4.90 0.00 1.72 1.50 0.00 1.17 0.00 0.00 1.50 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.77 7.81 20 C 9.41 5.17 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.14 5.01 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 1.19 0.00 0.00 0.71 0.00 0.00 22 V 8.63 4.91 2.14 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 0.88 0.00 0.00 1.04 0.00 0.00 23 V 9.42 4.44 1.60 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 0.78 0.00 0.00 0.80 0.00 0.00 24 G 6.07 3.45 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 25 D 8.26 5.02 0.00 2.95 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 26 G 8.68 3.70 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 0.00 0.00 0.00 27 A 8.90 3.82 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.37 3.79 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 0.78 0.00 0.00 0.92 0.00 0.00 29 G 8.48 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 30 K 7.98 3.73 0.00 1.75 1.80 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.46 7.81 31 T 7.82 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 32 C 7.90 3.88 0.00 3.08 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 33 L 8.24 3.97 0.00 1.75 2.02 0.83 0.72 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 34 L 7.94 4.08 0.00 1.92 1.83 1.12 1.07 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 35 M 7.84 3.26 0.00 1.44 1.60 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.81 0.00 36 S 7.83 4.51 0.00 4.18 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 37 Y 8.10 4.13 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.70 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.20 4.55 0.00 2.66 2.75 0.00 0.00 6.94 7.87 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 40 D 7.76 4.26 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.67 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 42 F 8.79 4.29 0.00 2.91 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 43 P 0.00 4.06 0.00 1.82 1.70 0.00 2.52 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.41 0.00 44 E 8.59 4.39 0.00 1.94 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 2.27 2.45 0.00 45 E 7.58 4.60 0.00 2.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 46 Y 8.55 4.38 0.00 2.91 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 47 V 7.47 3.67 1.74 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 0.63 0.00 0.00 0.61 0.00 0.00 48 P 0.00 4.45 0.00 2.47 2.10 0.00 3.40 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.04 2.00 0.00 3.45 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.66 0.00 83 P 0.00 2.97 0.00 1.76 1.04 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 84 L 7.23 3.98 0.00 1.76 1.74 0.89 1.29 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 85 S 8.02 4.35 0.00 3.99 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 86 Y 7.75 4.63 0.00 3.17 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 87 P 0.00 4.28 0.00 2.06 2.06 0.00 3.98 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 88 M 8.64 3.19 0.00 2.13 2.10 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 2.52 2.54 0.00 89 T 7.40 4.03 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 0.36 0.00 0.00 90 D 8.35 4.95 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.96 0.00 124 F 7.89 5.50 0.00 3.20 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 0.00 125 L 9.17 5.02 0.00 1.63 1.60 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.56 5.24 0.00 1.97 1.86 1.27 1.62 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 0.00 127 I 8.75 4.72 1.73 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.68 0.00 0.00 128 G 8.36 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 0.00 129 T 8.31 4.86 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 1.13 0.00 0.00 130 Q 8.49 3.30 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 131 I 7.52 3.92 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.86 0.00 0.00 132 D 7.92 4.37 0.00 2.74 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 0.00 133 L 7.92 4.25 0.00 1.93 1.73 0.86 0.52 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 0.00 134 R 7.38 3.95 0.00 1.75 2.03 0.00 3.21 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 135 D 7.64 4.79 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.71 0.00 2.80 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 0.00 137 P 0.00 4.24 0.00 2.18 2.11 0.00 3.64 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 2.11 2.20 0.00 138 K 8.07 4.02 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 139 T 7.97 3.91 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 0.00 140 L 8.07 4.01 0.00 1.87 1.72 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.74 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.54 3.85 0.00 1.91 2.14 0.00 3.28 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 143 L 8.04 4.20 0.00 2.07 1.83 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.07 4.66 0.00 2.78 2.84 0.00 0.00 7.13 8.62 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 0.00 145 D 7.71 4.54 0.00 2.91 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 0.00 146 M 7.96 4.33 0.00 2.13 2.01 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 2.55 2.55 0.00 147 K 8.03 4.01 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.50 7.81 148 E 7.61 4.44 0.00 2.03 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 2.53 2.40 0.00 149 K 8.01 4.72 0.00 1.75 1.72 0.00 1.43 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.44 7.81 150 P 0.00 4.58 0.00 2.09 2.10 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 151 I 8.19 3.78 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.36 0.57 0.00 0.00 152 C 8.28 4.59 0.00 2.97 3.01 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 0.00 153 V 8.50 3.78 2.14 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 1.20 0.00 0.00 1.12 0.00 0.00 154 E 8.15 4.02 0.00 2.07 1.97 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 2.40 2.47 0.00 155 Q 7.90 4.11 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 156 G 7.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.49 3.94 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.71 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 158 K 7.85 3.84 0.00 2.00 1.81 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.46 7.81 159 L 7.88 4.06 0.00 2.10 1.65 0.51 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.02 4.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.94 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 162 E 7.83 3.97 0.00 1.99 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 2.25 0.00 163 I 7.51 3.93 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 0.97 0.00 0.00 164 G 7.83 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 0.00 0.00 0.00 165 A 7.31 3.47 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 0.00 166 C 8.03 4.16 0.00 2.93 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 0.00 167 C 7.33 4.73 0.00 2.96 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 0.00 168 Y 8.72 5.37 0.00 3.05 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 0.00 169 V 8.14 4.19 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 0.76 0.00 0.00 0.79 0.00 0.00 170 E 8.18 5.06 0.00 1.76 1.65 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 1.96 1.86 0.00 171 C 8.60 4.91 0.00 3.02 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 0.00 172 S 8.67 4.88 0.00 3.84 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 0.00 173 A 8.97 4.11 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 0.00 174 L 7.96 3.38 0.00 1.04 1.44 -0.06 0.73 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 0.00 175 T 7.57 4.21 4.20 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 1.13 0.00 0.00 176 Q 8.36 3.78 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 177 K 7.33 3.91 0.00 1.79 1.68 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 178 G 8.91 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 0.00 0.00 0.00 0.00 179 L 7.86 3.92 0.00 2.13 1.86 1.01 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.24 4.06 0.00 1.97 1.87 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.68 7.81 181 T 7.92 3.84 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 1.17 0.00 0.00 182 V 7.68 3.30 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.75 0.00 0.00 183 F 7.71 4.12 0.00 2.69 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 0.00 184 D 8.55 4.45 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.05 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 186 A 7.77 3.92 1.31 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 0.00 0.00 187 I 7.77 3.57 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.79 0.00 0.00 188 I 7.70 3.59 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 1.44 0.56 0.88 0.00 0.00 189 A 7.85 3.94 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 0.00 190 I 7.18 3.85 1.90 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 1.65 0.74 0.84 0.00 0.00 191 L 7.90 4.37 0.00 1.58 1.62 0.57 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 192 T 7.83 4.28 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 1.19 0.00 0.00 193 P 0.00 4.45 0.00 2.09 1.82 0.00 3.77 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 1.94 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.