NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.7161 8.4244 118.2192 52.5233 38.6935 172.3346 16 L 4.0668 8.5138 120.2636 53.6627 42.3699 174.8234 17 N 4.1052 8.5683 125.5398 52.5196 39.0083 174.6265 18 I 3.9579 8.1957 119.8919 62.1543 38.4672 177.2080 19 A 4.1369 7.9565 124.2575 54.3139 18.8240 176.8028 20 Y 4.3943 7.6116 116.6882 59.3582 38.9388 175.7776 21 A 3.4208 8.3709 128.2239 52.7208 16.8426 177.4118 22 K 4.2658 7.6401 117.0820 56.0683 33.0666 175.2867 23 P 4.5187 0.0000 0.0000 63.3532 32.1720 175.6932 24 T 5.0199 8.3556 112.8500 60.2093 72.1319 172.7099 25 T 4.8882 8.4320 112.2379 60.5977 72.7742 172.0560 26 Q 4.3604 8.0187 118.9315 54.6681 31.8137 175.3261 27 S 3.1627 7.3901 114.3078 60.9473 63.4410 174.1425 28 S 4.4278 7.0013 113.0120 57.7049 64.9543 174.1992 29 V 4.7071 8.1385 118.9752 59.9291 33.8376 174.3878 30 D 4.6150 8.5148 120.7557 53.7449 44.3036 174.3761 31 Y 3.7481 8.7292 118.9750 59.1785 35.4292 170.1906 32 N 4.2504 8.5552 112.4868 54.4150 36.9983 175.9443 33 G 4.1217 8.2646 107.7131 44.2436 0.0000 174.2456 34 D 4.7364 7.7825 119.7204 54.0036 42.3100 176.9639 35 P 4.8661 0.0000 0.0000 65.2533 31.3089 178.3366 36 N 4.5700 8.2979 116.3869 55.5282 36.9488 177.0160 37 R 4.0110 8.0721 119.7585 58.6432 30.3893 177.6741 38 A 4.3387 8.0975 118.8900 52.5689 18.5590 178.1583 39 V 4.8117 7.9427 111.5082 61.1651 32.6721 176.4713 40 D 4.7866 8.5777 117.8605 53.1567 39.7094 177.7178 41 G 3.8819 8.8138 108.3609 45.5374 0.0000 172.8739 42 N 4.7499 8.0903 118.5692 51.8205 39.9502 174.5596 43 R 3.7960 8.3062 123.8717 56.2635 30.6918 176.2025 44 N 4.1429 8.1683 117.8361 54.3665 39.0786 174.5364 45 G 3.9330 8.5774 112.5295 44.7149 0.0000 172.2535 46 N 4.8475 7.8752 120.1818 52.8054 39.4186 174.9482 47 F 3.8927 9.6281 129.6573 61.4351 39.5620 176.9301 48 N 4.5018 8.2303 116.1529 55.5276 38.4978 176.2780 49 S 4.0422 7.7948 112.8106 59.4950 63.1267 175.6207 50 G 3.6445 7.8790 108.1090 45.6163 0.0000 173.7496 51 S 4.6288 7.5716 111.8757 57.3448 62.7649 173.8050 52 V 4.6956 7.0486 119.2180 61.7807 33.8325 175.2740 53 T 4.4521 8.6666 118.1873 62.0946 71.0403 172.8349 54 H 5.0246 9.2848 117.8597 56.6467 33.8562 173.3982 55 T 5.0953 8.3825 116.5869 59.4132 71.1798 174.1358 56 R 4.2096 8.7703 121.3834 55.9474 31.9388 176.6761 57 A 4.5960 8.4347 121.8136 51.4700 17.3790 176.6129 58 D 4.7511 8.6890 122.2832 52.4847 44.3991 175.4240 59 N 5.1865 8.5823 113.9668 50.0354 37.9441 171.9947 60 P 4.9725 0.0000 0.0000 60.7097 34.5834 175.9399 61 S 4.5222 8.3215 114.2506 58.5086 64.0351 173.6869 62 W 5.7344 8.2170 118.8322 55.6034 31.9889 173.0206 63 W 5.7523 9.7579 129.7381 56.2931 34.3000 173.1509 64 E 5.0301 8.4405 125.3912 54.6304 33.1980 173.9491 65 V 4.3836 8.0335 125.3735 59.8295 34.4223 174.0941 66 D 4.8975 8.5359 123.4595 52.6266 41.9825 176.0172 67 L 4.1047 8.8252 126.9234 55.5666 42.0417 179.3233 68 K 4.0860 10.2215 118.6023 56.1485 31.5650 175.6395 69 K 4.4934 7.1873 116.4662 55.5908 36.4367 174.9505 70 M 4.3019 8.4548 120.7744 55.8244 32.5846 175.4389 71 D 4.8586 9.1630 122.3386 52.8730 46.0911 173.1689 72 K 4.9742 8.5587 117.5104 54.5777 35.0468 175.5919 73 V 4.4622 8.9278 125.3248 61.9806 33.8004 174.1215 74 G 4.0386 9.5873 113.9732 46.2968 0.0000 175.4838 75 L 4.8357 6.5339 126.3736 54.9456 43.9067 174.8618 76 V 5.0646 9.6180 126.3092 61.1564 34.4946 174.0009 77 K 5.0759 9.4576 127.7751 54.7309 34.8782 175.0459 78 I 4.8164 8.8271 126.5523 59.8152 39.7076 174.0783 79 Y 4.9018 9.0616 125.8421 56.2015 39.8882 175.3323 80 N 4.8524 9.0569 123.8650 52.6024 40.1968 174.5887 81 R 4.3154 8.5791 123.2444 57.3137 30.0955 176.1697 82 T 4.5932 9.0035 113.0101 61.7085 70.7054 175.8898 83 D 4.4041 8.2741 120.5172 55.6573 39.9682 175.7424 84 A 4.2604 7.9163 118.9485 52.1268 21.6477 174.5026 85 E 4.0784 8.7340 115.2403 56.1883 27.3350 177.7178 86 T 3.9761 7.8872 109.9567 64.3446 68.8514 176.0475 87 Q 4.2008 8.0441 119.8492 58.3672 28.9694 178.3518 88 R 3.8960 7.7989 118.0750 59.0954 30.1610 177.0314 89 L 4.1982 7.2058 119.3521 53.2178 40.2985 175.3213 90 S 4.7906 8.2303 115.8106 57.3171 66.4184 174.5151 91 N 4.2223 9.3596 118.6587 54.6346 37.3782 172.6825 92 F 5.5173 7.9838 113.9245 55.3704 42.5300 175.1851 93 D 5.4327 9.2592 119.9580 52.8620 43.8460 175.6114 94 V 5.0439 9.0183 121.9157 61.4303 34.2297 174.3148 95 I 4.9962 9.1186 128.9259 59.4361 40.8320 174.4137 96 L 5.0333 8.4325 126.2903 53.2358 43.9825 175.1526 97 Y 5.3057 8.8488 120.5440 56.3733 42.1564 175.8651 98 D 4.9758 8.7670 122.2263 52.2455 41.8361 176.3594 99 N 4.4930 8.7513 116.2330 56.1979 39.0175 175.5796 100 N 4.8525 8.3716 113.3920 52.6617 38.9545 174.4695 101 R 3.9248 8.0580 115.3576 57.1874 28.3526 176.1295 102 N 4.6016 8.4720 115.6466 52.7006 39.1733 174.5225 103 E 4.1776 8.8898 124.1419 56.4323 30.0894 176.4171 104 V 4.4140 8.2246 118.9316 61.6922 33.8227 175.6731 105 A 4.6378 7.5312 119.6018 51.1154 22.4114 175.1374 106 K 5.0840 8.6121 120.4521 55.2151 35.5158 175.2786 107 K 4.7432 9.3549 126.0252 54.8612 35.8939 174.4216 108 H 5.1708 8.7681 122.8996 54.4437 32.2242 173.6945 109 V 3.8810 7.6354 124.6517 61.1920 33.5728 175.2095 110 N 4.6368 8.9295 126.7341 55.1601 38.7562 174.3986 111 N 5.3174 7.6155 115.2255 51.2027 40.6590 173.8379 112 L 4.4461 8.4031 119.9173 54.2788 42.8877 176.9979 113 S 4.5397 8.7220 116.5816 59.2801 64.9426 174.7974 114 G 4.1662 7.6406 111.3756 45.4397 0.0000 173.6160 115 E 4.5678 8.6883 120.5573 57.0047 30.7472 175.9024 116 S 5.0645 7.6021 113.0987 57.0575 66.3009 173.6696 117 V 4.5604 8.7192 119.4321 60.0401 34.6639 174.5260 118 S 5.3408 8.6756 118.0105 56.8776 65.7548 173.3802 119 L 4.7865 9.2046 122.9551 52.8903 46.0397 175.1836 120 D 5.1361 8.3722 120.8813 52.7621 43.1190 175.1528 121 F 4.4653 9.3847 124.8579 56.6727 39.3983 176.3411 122 K 4.0005 8.9811 119.0474 57.8420 29.5769 175.5355 123 E 3.9092 8.4991 112.7741 57.1537 27.6954 175.2822 124 K 4.1128 7.8388 118.8469 56.5137 33.2508 176.6738 125 G 4.0692 8.7143 112.0815 46.2718 0.0000 172.5891 126 A 4.7152 8.9735 125.5888 51.3050 22.7859 176.3974 127 R 4.2674 8.9200 119.7951 56.1635 32.4447 175.6914 128 Y 5.3034 7.8569 115.1717 56.0065 42.0554 174.8508 129 I 4.9330 8.6519 123.3857 59.5153 40.4528 174.2781 130 K 5.2701 9.4283 129.1960 54.5911 35.1601 174.7032 131 V 5.0388 9.4937 127.5645 61.2519 33.7036 174.1447 132 K 5.2165 9.3950 129.6893 54.4326 34.8693 175.2563 133 L 4.5986 8.8072 128.3850 55.1409 41.7493 177.5497 134 L 4.3768 8.9488 122.2367 55.6477 42.4359 176.8685 135 T 4.4202 7.7695 115.7331 61.9249 69.0559 174.9245 136 S 4.3059 8.4767 122.9362 59.5859 63.6023 174.8582 137 G 3.9813 9.0881 110.1788 45.9645 0.0000 173.3292 138 V 4.4447 7.5000 118.3736 59.8269 33.7384 173.6566 139 P 4.6298 0.0000 0.0000 62.1640 32.4202 175.3609 140 L 4.4881 8.7972 126.0753 53.8659 43.9471 175.2396 141 S 5.3576 8.4081 121.6528 55.6404 66.5174 172.8267 142 L 4.5398 8.7502 124.5761 52.7294 44.0061 177.6124 143 A 4.0032 9.1140 126.6752 54.8926 19.0749 177.3276 144 E 4.6681 7.4673 112.0753 55.5058 33.0786 175.0591 145 V 4.9621 8.9440 125.5530 61.2927 33.9536 174.3825 146 E 4.9175 9.4501 127.7540 54.5676 32.5497 175.2559 147 V 4.8299 8.5510 122.7503 61.1655 34.9179 174.3199 148 F 5.4010 9.3131 125.6799 55.8220 42.4051 176.5084 149 R 5.1010 9.2038 118.4797 57.2045 30.6357 175.7993 150 E 4.6423 7.6766 119.1458 55.0785 32.9452 176.5802 *151 S 4.2554 8.5148 113.8648 58.5019 63.0531 170.1097 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 15 N 8.42 4.72 0.00 2.94 2.98 0.00 0.00 5.99 6.90 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 16 L 8.51 4.07 0.00 1.77 1.71 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.57 4.11 0.00 2.63 2.65 0.00 0.00 6.97 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 18 I 8.20 3.96 1.86 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 1.35 0.67 0.97 0.00 0.00 19 A 7.96 4.14 1.45 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 20 Y 7.61 4.39 0.00 2.87 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 21 A 8.37 3.42 0.61 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 0.00 0.00 22 K 7.64 4.27 0.00 1.86 1.90 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.62 7.81 23 P 0.00 4.52 0.00 2.04 1.95 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 24 T 8.36 5.02 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 1.27 0.00 0.00 25 T 8.43 4.89 4.33 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 1.21 0.00 0.00 26 Q 8.02 4.36 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 27 S 7.39 3.16 0.00 3.47 2.63 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 28 S 7.00 4.43 0.00 3.89 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 29 V 8.14 4.71 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 0.74 0.00 0.00 1.01 0.00 0.00 30 D 8.51 4.62 0.00 2.76 2.46 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 31 Y 8.73 3.75 0.00 3.08 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 N 8.56 4.25 0.00 2.96 2.94 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 33 G 8.26 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.78 4.74 0.00 2.75 2.65 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 35 P 0.00 4.87 0.00 2.34 2.56 0.00 3.91 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 2.10 1.88 0.00 36 N 8.30 4.57 0.00 3.00 3.16 0.00 0.00 6.30 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 37 R 8.07 4.01 0.00 1.89 2.10 0.00 3.20 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 38 A 8.10 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.94 4.81 2.39 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 1.13 0.00 0.00 1.09 0.00 0.00 40 D 8.58 4.79 0.00 2.87 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 41 G 8.81 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 42 N 8.09 4.75 0.00 2.66 2.81 0.00 0.00 7.14 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 43 R 8.31 3.80 0.00 1.64 1.56 0.00 3.14 0.00 0.00 3.04 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 44 N 8.17 4.14 0.00 2.80 2.71 0.00 0.00 7.03 7.42 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 45 G 8.58 3.93 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 0.00 0.00 0.00 46 N 7.88 4.85 0.00 2.78 2.71 0.00 0.00 6.78 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 47 F 9.63 3.89 0.00 3.16 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 48 N 8.23 4.50 0.00 2.91 2.88 0.00 0.00 6.91 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 49 S 7.79 4.04 0.00 3.95 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 50 G 7.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.57 4.63 0.00 3.79 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 52 V 7.05 4.70 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 1.07 0.00 0.00 1.02 0.00 0.00 53 T 8.67 4.45 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 1.32 0.00 0.00 54 H 9.28 5.02 0.00 3.53 3.54 0.00 5.63 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 55 T 8.38 5.10 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 56 R 8.77 4.21 0.00 1.89 1.91 0.00 3.06 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 57 A 8.43 4.60 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 58 D 8.69 4.75 0.00 2.68 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 59 N 8.58 5.19 0.00 2.59 2.75 0.00 0.00 7.20 8.02 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 60 P 0.00 4.97 0.00 2.42 2.16 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 61 S 8.32 4.52 0.00 3.89 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 62 W 8.22 5.73 0.00 3.64 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.76 5.75 0.00 3.40 3.06 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 0.00 0.00 0.00 0.00 64 E 8.44 5.03 0.00 2.06 1.66 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 2.17 2.40 0.00 65 V 8.03 4.38 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 0.82 0.00 0.00 0.98 0.00 0.00 66 D 8.54 4.90 0.00 2.79 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 67 L 8.83 4.10 0.00 1.67 1.61 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 K 10.22 4.09 0.00 1.84 2.02 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.41 7.81 69 K 7.19 4.49 0.00 1.69 1.82 0.00 1.28 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.36 7.81 70 M 8.45 4.30 0.00 1.90 2.02 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 2.59 2.45 0.00 71 D 9.16 4.86 0.00 2.59 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 72 K 8.56 4.97 0.00 1.72 1.70 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.36 7.81 73 V 8.93 4.46 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 0.97 0.00 0.00 0.89 0.00 0.00 74 G 9.59 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 75 L 6.53 4.84 0.00 2.11 1.85 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 76 V 9.62 5.06 2.42 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 1.18 0.00 0.00 1.18 0.00 0.00 77 K 9.46 5.08 0.00 2.02 1.62 0.00 2.16 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.69 7.81 78 I 8.83 4.82 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.82 0.00 0.00 79 Y 9.06 4.90 0.00 2.96 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 80 N 9.06 4.85 0.00 2.68 2.71 0.00 0.00 7.18 7.20 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 81 R 8.58 4.32 0.00 1.86 1.81 0.00 3.22 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 82 T 9.00 4.59 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 1.32 0.00 0.00 83 D 8.27 4.40 0.00 2.80 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 84 A 7.92 4.26 1.16 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 85 E 8.73 4.08 0.00 2.04 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 2.24 2.09 0.00 86 T 7.89 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 1.28 0.00 0.00 87 Q 8.04 4.20 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 88 R 7.80 3.90 0.00 1.86 2.15 0.00 3.07 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 89 L 7.21 4.20 0.00 1.55 1.60 0.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.23 4.79 0.00 4.21 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 91 N 9.36 4.22 0.00 2.96 2.89 0.00 0.00 7.06 8.02 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 92 F 7.98 5.52 0.00 3.26 3.06 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 0.00 0.00 0.00 0.00 93 D 9.26 5.43 0.00 2.77 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 94 V 9.02 5.04 2.39 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 1.24 0.00 0.00 1.28 0.00 0.00 95 I 9.12 5.00 1.79 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.33 0.00 0.00 96 L 8.43 5.03 0.00 1.33 1.36 -0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.85 5.31 0.00 3.01 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 98 D 8.77 4.98 0.00 2.94 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 99 N 8.75 4.49 0.00 2.69 2.91 0.00 0.00 6.73 7.79 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 0.00 100 N 8.37 4.85 0.00 2.76 2.80 0.00 0.00 6.95 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 0.00 101 R 8.06 3.92 0.00 1.82 1.70 0.00 2.82 0.00 0.00 2.66 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.00 102 N 8.47 4.60 0.00 3.07 2.78 0.00 0.00 6.70 7.22 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 0.00 103 E 8.89 4.18 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 104 V 8.22 4.41 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 0.79 0.00 0.00 0.96 0.00 0.00 105 A 7.53 4.64 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 0.00 106 K 8.61 5.08 0.00 1.85 1.67 0.00 2.01 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.53 7.81 107 K 9.35 4.74 0.00 1.73 1.54 0.00 0.75 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.20 7.81 108 H 8.77 5.17 0.00 3.16 3.12 0.00 5.86 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 0.00 109 V 7.64 3.88 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 0.00 0.00 0.70 0.00 0.00 0.58 0.00 0.00 110 N 8.93 4.64 0.00 2.67 2.79 0.00 0.00 6.63 6.92 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 0.00 111 N 7.62 5.32 0.00 2.79 2.75 0.00 0.00 6.02 7.79 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 0.00 112 L 8.40 4.45 0.00 1.69 1.84 1.21 0.89 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 0.00 113 S 8.72 4.54 0.00 3.96 3.97 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 0.00 114 G 7.64 4.17 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 0.00 115 E 8.69 4.57 0.00 1.97 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 2.37 2.31 0.00 116 S 7.60 5.06 0.00 3.23 3.33 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 0.00 117 V 8.72 4.56 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 1.07 0.00 0.00 0.92 0.00 0.00 118 S 8.68 5.34 0.00 3.71 3.78 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 0.00 0.00 0.00 0.00 119 L 9.20 4.79 0.00 1.58 1.20 1.07 0.59 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 0.00 120 D 8.37 5.14 0.00 2.60 2.46 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 0.00 121 F 9.38 4.47 0.00 3.27 3.06 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 0.00 0.00 0.00 0.00 122 K 8.98 4.00 0.00 1.96 1.92 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.53 7.81 123 E 8.50 3.91 0.00 2.19 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 0.00 2.49 2.31 0.00 124 K 7.84 4.11 0.00 1.81 1.76 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.67 7.81 125 G 8.71 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 0.00 0.00 0.00 126 A 8.97 4.72 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 0.00 127 R 8.92 4.27 0.00 1.64 1.51 0.00 2.90 0.00 0.00 2.89 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 128 Y 7.86 5.30 0.00 3.08 2.78 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 0.00 0.00 0.00 0.00 129 I 8.65 4.93 1.99 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 0.99 1.04 1.03 0.00 0.00 130 K 9.43 5.27 0.00 2.06 1.86 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.50 1.63 7.81 131 V 9.49 5.04 2.37 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 0.81 0.00 0.00 1.19 0.00 0.00 132 K 9.39 5.22 0.00 1.99 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.60 7.81 133 L 8.81 4.60 0.00 1.69 1.68 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.95 4.38 0.00 1.85 1.79 1.05 0.82 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 0.00 135 T 7.77 4.42 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 1.25 0.00 0.00 136 S 8.48 4.31 0.00 3.92 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 0.00 137 G 9.09 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 0.00 138 V 7.50 4.44 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 0.86 0.00 0.00 1.00 0.00 0.00 139 P 0.00 4.63 0.00 1.92 2.26 0.00 3.76 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 140 L 8.80 4.49 0.00 1.76 1.53 0.78 1.20 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 0.00 141 S 8.41 5.36 0.00 3.66 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 0.00 142 L 8.75 4.54 0.00 1.06 1.12 0.16 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 A 9.11 4.00 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 0.00 0.00 0.00 0.00 0.00 144 E 7.47 4.67 0.00 1.93 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 1.91 2.19 0.00 145 V 8.94 4.96 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 1.01 0.00 0.00 0.33 0.00 0.00 146 E 9.45 4.92 0.00 2.21 1.67 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 2.26 2.37 0.00 147 V 8.55 4.83 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 1.07 0.00 0.00 1.00 0.00 0.00 148 F 9.31 5.40 0.00 3.04 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 0.00 149 R 9.20 5.10 0.00 1.88 2.04 0.00 3.24 0.00 0.00 3.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 150 E 7.68 4.64 0.00 2.22 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 2.21 2.40 0.00 *151 S 8.51 4.26 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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.