NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4989 8.2893 118.7849 54.3093 33.1404 174.1086 2 N 4.8691 8.8969 114.9317 50.5769 40.0911 172.4990 3 G 3.9630 8.7565 109.5136 46.2507 0.0000 172.4104 4 I 4.1232 8.1762 120.9370 61.0305 38.5934 176.0380 5 R 4.8367 8.8183 124.3869 54.2332 33.4259 174.4217 6 W 4.9711 8.6208 124.7046 55.6423 31.1611 175.7784 7 I 4.6726 8.8130 126.4833 59.8412 37.6804 174.0172 8 A 5.3866 9.0140 129.5260 49.0832 21.7106 175.0355 9 S 4.4565 8.0660 114.4155 57.2030 66.5288 173.7264 10 Y 4.6552 8.5464 121.7216 56.5275 39.3464 173.3468 11 P 3.9546 0.0000 0.0000 64.0996 31.6186 176.6685 12 K 3.7712 8.7293 119.6680 57.2794 29.3238 176.0310 13 A 4.3367 9.4191 119.8246 51.5598 19.8131 177.6026 14 G 4.1282 7.9769 113.4373 46.2543 0.0000 175.6301 15 N 4.3770 7.9235 119.3644 55.8291 37.0402 177.3021 16 T 3.8218 7.6449 116.9898 66.2389 68.9317 175.5943 17 W 4.7216 8.3956 129.6577 61.0415 30.6069 178.0024 18 V 3.2281 7.9775 117.7246 65.8161 30.4972 177.8057 19 R 4.0244 8.6061 118.3421 58.6937 29.7312 177.9107 20 C 4.1816 8.0647 118.7400 62.7203 31.6484 175.1321 21 M 4.0052 7.6233 119.2463 57.4058 31.5305 178.7166 22 L 4.2728 8.1339 119.5395 57.7478 41.6894 178.6836 23 A 4.0332 7.6832 119.9506 55.6567 18.0497 179.7056 24 A 4.0033 8.1609 117.5336 55.1490 18.5578 179.1238 25 Y 4.2241 7.9511 118.2531 61.2003 38.7860 177.4902 26 I 3.6380 7.7782 119.3718 65.0521 37.3699 177.4543 27 T 3.7185 7.6473 111.3606 64.8738 69.0291 175.3181 *42 L 4.0099 7.7009 121.5677 54.0403 42.2951 178.0455 43 T 5.0152 8.2151 120.7192 60.2791 70.7000 174.2618 44 L 4.0480 8.6882 129.0306 58.6783 42.1336 178.9955 45 E 4.0001 8.2472 117.4305 59.0849 29.1502 178.9706 46 A 3.9411 7.9712 120.4199 55.3667 18.5778 179.2574 47 M 4.2503 8.2610 117.1962 58.8709 32.1395 178.9953 48 L 4.3784 8.3477 122.9429 57.9477 41.5358 180.5146 49 R 3.9341 7.7268 116.4489 59.0130 29.3323 179.9357 50 F 4.6362 7.3830 112.7459 57.8505 39.1584 176.2021 51 G 3.8942 8.5969 109.4042 46.0731 0.0000 172.8909 52 D 5.0662 8.1435 118.2582 52.0969 43.2376 175.2019 53 L 5.0229 8.0860 122.5976 52.2190 45.5666 175.0176 54 P 4.4882 0.0000 0.0000 61.2562 32.0015 174.6125 55 P 4.2641 0.0000 0.0000 63.7793 31.1832 176.0999 56 A 4.7049 8.6999 123.1850 52.5772 19.3547 177.2848 57 E 4.5716 7.8537 114.8878 53.4866 30.7242 171.6414 58 P 4.8398 0.0000 0.0000 61.3017 33.4766 176.5171 59 M 4.1330 8.7667 121.3990 57.7066 31.5036 173.9056 60 E 4.4976 7.7321 117.0794 54.4576 31.0754 174.5018 61 P 4.5343 0.0000 0.0000 62.8187 32.4505 176.8267 62 V 4.1940 8.1315 121.7801 61.1353 34.4432 174.1999 63 L 4.5885 8.4227 128.6731 54.1955 42.7042 176.7921 64 V 4.4509 8.8583 123.5115 60.9926 34.9956 173.9395 65 K 4.7965 8.9422 129.8393 56.1941 33.7464 175.3122 66 T 5.0820 8.6549 120.6020 61.2947 70.9451 173.7991 67 H 5.5207 8.6616 122.0879 55.4536 29.5653 176.0094 68 L 4.4631 8.1403 120.3700 53.9791 42.3894 176.9493 69 K 4.3245 8.5886 120.7867 56.4158 33.2608 177.9617 70 A 2.6173 7.3275 125.2934 54.7619 17.9688 177.7725 71 D 4.5068 7.3885 112.5981 53.1159 40.0417 176.9508 72 V 3.7553 7.3137 113.7816 60.9733 32.4693 175.2728 73 P 4.1645 0.0000 0.0000 66.0686 31.6791 178.6067 74 V 3.6384 8.1246 116.6869 66.3783 31.1906 177.6783 75 L 4.6087 8.0065 117.0328 56.7748 41.1906 179.2795 76 G 3.6616 8.3395 105.6767 46.9205 0.0000 174.9396 77 L 4.1756 7.6620 119.1280 55.7116 41.8859 176.7172 78 Y 5.0576 7.8129 115.5738 57.3151 39.6619 177.2975 79 G 4.4042 8.7235 110.1201 48.4588 0.0000 175.1688 80 E 4.1197 8.3731 119.5730 58.5693 29.8595 178.3114 81 A 4.4119 8.1470 119.5500 52.9934 19.0123 176.4548 82 T 4.5996 7.5544 112.3603 61.9751 69.8604 174.2392 83 A 4.4169 8.8708 129.0221 53.8613 20.3256 177.0510 84 K 5.1037 7.6950 112.6845 54.8893 37.2753 175.4634 85 V 4.9848 9.0960 121.9568 61.2009 34.9171 173.8326 86 L 5.0387 9.2713 130.6521 53.6603 43.8361 174.1107 87 Y 5.0776 8.8790 128.5026 56.1681 40.7361 174.1138 88 L 5.0627 7.9273 126.2872 52.8182 44.7468 176.2903 89 V 4.5412 8.5292 121.3787 60.2440 35.1826 174.3154 90 R 5.2109 8.5400 120.8056 54.8862 33.3110 173.8100 91 N 3.1400 8.5254 123.8492 53.1465 39.4334 173.3203 92 P 3.8429 0.0000 0.0000 65.6730 31.5175 178.4020 93 R 3.5167 7.8149 116.2735 59.7032 30.0144 178.7156 94 D 4.2788 7.6785 117.9334 57.3167 40.6526 178.8414 95 M 3.9109 7.5780 118.8145 58.2862 31.9512 178.0722 96 L 3.6579 8.1567 120.7241 58.3295 41.6341 179.0658 97 L 4.0137 7.6891 118.1425 57.5656 41.6517 179.5170 98 S 4.1617 8.1524 115.2547 61.2892 62.6702 176.8459 99 S 4.0726 8.3510 118.3343 61.7931 62.5072 176.1895 100 M 2.9927 7.3955 121.3845 58.6604 31.6852 179.3317 101 R 3.9162 7.6362 118.7489 59.7982 29.9126 179.6745 102 M 4.0594 7.6491 119.4989 59.5834 31.4499 181.1004 103 A 4.3888 7.9897 117.9609 51.8356 18.4107 176.9974 104 S 3.7682 8.0320 111.8604 59.8564 61.2451 171.0458 105 I 4.4686 7.1540 111.9303 58.1627 39.5726 175.4492 106 S 4.2712 8.4320 119.2985 58.5108 63.6230 174.2537 107 R 4.3822 8.5007 123.6138 57.2574 29.9909 177.9772 108 D 4.4828 7.7333 119.4697 54.8787 39.7973 180.0627 109 D 4.7076 7.6331 117.3267 53.4470 40.5012 176.6563 110 V 3.6447 8.2060 128.6872 66.7054 31.7057 176.7881 111 E 3.7896 8.5906 117.3634 62.8919 29.2170 182.0016 112 K 4.1528 8.8908 122.0521 60.0841 32.2212 181.3239 113 S 4.3087 7.6294 116.0201 61.6939 62.7181 177.3212 114 R 3.8961 8.8525 123.2414 60.0152 29.9836 179.1493 115 D 4.3861 7.7861 120.7462 58.6162 39.6119 180.6123 116 F 4.0821 8.5520 122.0611 61.0585 39.4407 176.9129 117 A 4.1030 8.3551 120.4784 55.4383 18.1666 179.5549 118 R 3.7897 8.3885 117.4076 59.4391 30.1436 178.7836 119 K 3.6671 7.5732 117.9026 58.3957 31.9498 179.0420 120 F 4.6244 8.0601 122.7383 61.0474 39.4669 177.3229 121 I 3.8079 8.3194 119.3564 64.2871 36.6792 178.1235 122 A 4.0103 7.7587 120.6890 54.7203 18.2101 178.4972 123 N 4.7916 7.6828 111.1678 51.9813 39.3360 174.7198 124 E 3.8073 8.3191 118.8094 54.9089 27.9998 175.5325 125 G 3.6695 6.1342 106.0792 45.2777 0.0000 174.4479 126 L 4.3087 8.3456 122.6326 54.3773 41.6511 178.0298 127 G 3.7931 7.6399 109.8327 43.3750 0.0000 173.9284 128 W 4.6958 7.0510 127.9140 55.4981 28.9582 176.0424 *137 V 3.7898 7.3000 117.3907 63.8340 33.4421 175.6660 138 G 4.0011 8.4230 110.1231 44.5998 0.0000 175.3064 139 L 3.7610 8.4301 119.6899 56.9986 41.7931 178.2576 140 G 3.9518 8.0638 103.0921 44.8368 0.0000 172.7482 141 S 4.5827 8.9456 114.7118 57.4116 64.9691 175.2265 142 W 3.3796 9.1947 131.4513 59.8966 30.2733 176.0928 143 P 3.4836 0.0000 0.0000 65.6913 30.5994 177.9922 144 E 3.8424 8.6053 118.7484 59.1110 29.3156 178.9733 145 N 4.3352 8.0174 116.8632 56.6096 39.0682 177.0161 146 V 3.2233 7.1061 120.8662 65.2056 31.4526 177.5176 147 R 3.6568 7.2480 118.7527 59.5244 29.5887 178.0400 148 S 3.8470 7.6148 112.4409 61.4777 62.7605 176.1671 149 W 4.3567 7.3949 119.7027 57.3543 29.2016 177.8751 150 T 4.4178 7.6641 108.5951 61.7006 70.2237 174.8207 151 E 4.7628 8.5016 121.3165 54.2048 29.6892 174.9287 152 S 4.4364 7.7140 112.5844 58.8560 65.8998 177.2161 153 S 4.2022 8.3738 115.3900 61.1406 62.3427 175.6600 154 S 4.3966 8.4451 116.2866 61.6678 62.2845 174.6371 155 D 4.6023 7.7534 117.2323 55.4235 43.5205 179.9607 156 R 3.7545 7.8528 118.2581 58.2862 30.1128 178.7857 157 F 5.6389 7.9627 115.8391 55.8664 39.3210 174.5220 158 P 4.5882 0.0000 0.0000 64.4556 31.7167 177.6993 159 N 4.5954 8.1754 114.6204 54.2977 39.2296 175.0713 160 A 5.3130 8.2207 122.5576 51.4378 20.1663 177.0787 161 D 5.0569 8.6196 120.2850 52.2671 42.6450 176.2258 162 V 5.0474 8.6132 122.2611 60.5129 33.9164 174.2014 163 L 4.5486 8.8750 130.7783 53.5320 43.8815 175.4629 164 T 4.9298 8.5143 122.9990 63.5151 70.2090 174.0566 165 M 4.7176 8.4733 122.8336 54.6182 36.4198 174.0595 166 R 4.7068 8.6818 125.3107 55.8495 31.3679 176.6664 167 Y 4.2356 9.5165 124.2938 61.1409 38.6498 178.1526 168 E 3.9568 8.5957 118.7260 60.0619 29.6763 179.0645 169 D 4.5651 8.1701 117.8790 57.0744 40.3357 178.7459 170 L 3.8076 7.5937 121.0812 58.1941 41.9605 178.8969 171 K 4.2006 7.9986 117.2664 59.5940 32.0066 179.1425 172 G 3.9008 8.2653 105.2104 46.7744 0.0000 173.8896 173 D 4.7828 8.5080 121.1913 50.1544 41.8632 173.1838 174 P 4.3025 0.0000 0.0000 64.8170 31.8312 177.8959 175 V 3.6136 7.9051 110.0385 64.8292 31.7109 178.3940 176 A 4.0962 8.3302 119.4888 54.3670 18.3736 179.7138 177 R 4.0913 8.4220 117.1955 58.8141 30.6805 178.5998 178 F 4.3404 8.6512 123.2132 62.0354 39.3680 177.3963 179 S 3.8748 8.0727 118.0168 63.8043 61.9056 178.1623 180 E 4.1126 7.7943 120.3149 59.9352 29.2026 179.6169 181 I 3.6958 7.4574 119.0748 64.1975 37.2583 178.3901 182 V 3.2180 7.3978 118.6391 65.9825 31.0710 177.9138 183 E 3.8313 7.6096 117.7070 59.2880 29.5390 178.3735 184 F 4.2887 7.6277 119.0342 61.3566 39.5789 176.9494 185 L 3.5803 8.0732 117.6821 55.1145 41.8955 176.3681 186 D 4.2670 7.8594 118.7485 55.8776 39.8357 175.5880 187 L 4.1388 8.1296 119.7414 56.7066 41.4154 180.0706 188 G 4.1603 7.4563 109.0816 44.1441 0.0000 174.7803 189 G 3.8421 8.3610 118.4191 46.0877 0.0000 172.1798 190 P 4.8361 0.0000 0.0000 61.1496 33.4343 175.2535 191 V 4.4117 8.2610 119.7864 59.2775 33.4418 175.4046 192 D 5.0622 8.6319 129.5968 53.7535 42.5500 175.1955 193 I 4.1005 8.3957 126.8723 65.5061 35.1893 177.1598 194 E 4.1823 8.4057 118.6853 61.3813 29.1477 181.2362 195 D 4.6931 8.1203 119.4639 57.6764 41.3691 179.2348 196 I 4.1330 8.2380 122.2495 65.1150 37.2685 178.9658 197 R 4.0735 8.5549 124.3969 62.5902 29.3088 181.3911 198 R 4.2467 7.8613 120.5017 60.8411 29.1725 180.7352 199 A 4.2502 8.2278 119.9901 55.6383 18.0654 179.9850 200 V 3.5522 7.8503 115.6861 65.4977 31.5911 177.5963 201 A 4.0190 7.9865 120.5832 55.3150 17.7679 179.4488 202 A 3.9948 8.2062 120.5597 55.9938 18.4218 180.7036 203 S 4.3624 8.2854 116.0825 62.7961 62.5237 177.5571 204 T 4.5601 7.7271 111.7606 64.6412 69.4472 177.5947 205 L 4.0834 8.2976 124.5667 58.9154 40.8477 180.9311 206 E 4.2496 9.4248 120.1237 59.4474 29.7126 178.9134 207 R 3.9597 8.1180 120.0597 60.3864 29.9382 179.3370 208 M 4.0693 8.3945 119.1336 59.6002 31.2633 180.2717 209 R 4.3111 7.6188 117.6114 61.1395 30.0869 178.1430 210 E 4.1125 7.8603 114.2580 54.7557 30.9106 177.6910 *247 G 2.8295 8.2292 102.7985 46.8578 0.0000 172.2314 248 R 4.3095 7.6544 122.9639 55.3126 31.6133 176.4910 *249 Y 4.2351 8.2689 120.8253 57.5066 37.0560 175.0969 250 D 4.8298 7.8367 117.5584 54.4356 41.8339 175.9933 251 Q 3.4250 8.0417 115.3381 56.3062 25.3963 172.5763 252 S 4.7373 7.6111 111.3734 56.5422 66.3752 173.2508 253 L 4.8883 10.4090 124.1478 54.6851 41.9143 178.7963 254 S 4.1904 8.0109 118.3365 61.5130 62.8614 176.6957 255 F 3.9625 8.5179 114.0671 59.4539 37.4486 175.6854 256 L 3.8604 6.7831 119.6042 54.1808 41.5092 177.1220 257 G 3.9758 8.8771 107.8412 45.1488 0.0000 174.7624 258 E 3.9395 8.9376 120.8493 59.2600 29.7782 179.0558 259 D 4.4455 7.8262 118.7623 56.5906 39.6131 178.7722 260 I 3.6410 7.7633 121.1465 63.9098 37.1022 177.5867 261 E 3.9554 7.8711 119.9715 59.5149 29.4404 178.6068 262 S 4.1052 8.7789 113.9026 61.9183 62.3839 176.0745 263 D 4.3999 8.4450 121.5927 57.1525 40.5137 178.1350 264 Y 3.9580 8.1620 120.2284 60.6453 38.6673 177.6832 265 Q 3.9592 8.4612 120.7390 59.4703 28.8789 178.2627 266 E 3.9012 7.8307 118.8718 59.0630 29.6963 178.1978 267 L 3.9220 7.4367 119.7055 57.9851 42.1913 178.5519 268 L 4.2483 7.7942 121.6913 57.7263 42.8531 177.0042 *269 H 5.1355 7.9062 114.6323 53.9333 29.5854 176.7433 270 G 4.1789 7.9245 117.3538 46.6140 0.0000 173.6762 271 D 4.9544 8.8635 124.7480 52.9539 40.8411 174.1755 272 S 4.5223 8.1462 113.6456 59.5077 64.2886 173.8742 273 G 4.3756 8.6754 113.0851 46.3902 0.0000 175.2349 274 F 4.2225 8.1102 121.5608 61.1377 39.2276 177.0079 275 A 4.2880 8.3677 119.5539 55.2842 18.1481 178.6695 276 L 3.7898 8.0501 118.2048 59.0980 41.6785 178.8610 277 Y 4.1366 8.5637 116.3581 60.6621 37.7511 178.1843 278 A 4.6009 8.7948 122.2657 55.6862 18.3980 179.9622 279 K 4.0404 8.4118 115.6933 59.4031 32.1747 178.9595 280 Q 4.0167 7.8171 118.4010 57.7965 29.1125 176.3141 281 Y 4.5505 7.6122 115.1550 57.2602 38.7513 175.7864 282 G 3.8356 8.3227 107.4913 46.6650 0.0000 173.5776 283 Y 4.8749 8.1016 114.6205 57.3852 38.8999 175.8011 284 A 4.7203 8.0491 124.2632 50.4912 18.1988 177.5617 285 G 3.8114 8.3082 108.9646 46.1679 0.0000 170.4966 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 1 M 8.29 4.50 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 N 8.90 4.87 0.00 2.92 2.76 0.00 0.00 5.90 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 3 G 8.76 3.96 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 0.00 0.00 0.00 4 I 8.18 4.12 1.54 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 0.57 -0.79 0.00 0.00 5 R 8.82 4.84 0.00 1.60 1.70 0.00 2.98 0.00 0.00 3.06 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 6 W 8.62 4.97 0.00 3.30 2.95 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 7 I 8.81 4.67 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.94 0.00 0.00 8 A 9.01 5.39 -0.17 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 9 S 8.07 4.46 0.00 3.82 3.77 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 10 Y 8.55 4.66 0.00 3.15 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 11 P 0.00 3.95 0.00 1.93 1.75 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 12 K 8.73 3.77 0.00 1.86 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.36 7.81 13 A 9.42 4.34 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 14 G 7.98 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 0.00 0.00 0.00 0.00 15 N 7.92 4.38 0.00 3.04 3.02 0.00 0.00 6.26 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 16 T 7.64 3.82 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 17 W 8.40 4.72 0.00 3.39 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 18 V 7.98 3.23 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 0.97 0.00 0.00 0.72 0.00 0.00 19 R 8.61 4.02 0.00 2.15 2.06 0.00 3.25 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 20 C 8.06 4.18 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.62 4.01 0.00 1.20 0.64 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 22 L 8.13 4.27 0.00 1.80 1.81 1.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.68 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.16 4.00 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 25 Y 7.95 4.22 0.00 3.32 3.30 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 26 I 7.78 3.64 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.54 0.90 0.00 0.00 27 T 7.65 3.72 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 1.21 0.00 0.00 *42 L 7.70 4.01 0.00 1.62 1.65 0.92 0.68 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 43 T 8.22 5.02 4.29 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 1.24 0.00 0.00 44 L 8.69 4.05 0.00 2.03 1.86 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.25 4.00 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.32 2.34 0.00 145 N 8.02 4.34 0.00 3.35 3.02 0.00 0.00 6.83 7.70 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 0.00 146 V 7.11 3.22 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 0.76 0.00 0.00 0.15 0.00 0.00 147 R 7.25 3.66 0.00 1.75 1.77 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 148 S 7.61 3.85 0.00 3.69 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 0.00 149 W 7.39 4.36 0.00 2.10 2.95 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 0.00 150 T 7.66 4.42 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 151 E 8.50 4.76 0.00 1.92 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 2.25 2.22 0.00 152 S 7.71 4.44 0.00 3.69 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 0.00 153 S 8.37 4.20 0.00 3.99 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 0.00 154 S 8.45 4.40 0.00 3.86 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 0.00 155 D 7.75 4.60 0.00 2.77 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 0.00 156 R 7.85 3.75 0.00 1.73 1.96 0.00 3.16 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 157 F 7.96 5.64 0.00 3.13 2.99 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 0.00 0.00 0.00 158 P 0.00 4.59 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 159 N 8.18 4.60 0.00 2.99 2.92 0.00 0.00 6.92 7.35 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 0.00 160 A 8.22 5.31 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 0.00 161 D 8.62 5.06 0.00 2.37 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 5.05 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 1.07 0.00 0.00 1.12 0.00 0.00 163 L 8.88 4.55 0.00 0.78 0.20 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 164 T 8.51 4.93 4.39 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 1.38 0.00 0.00 165 M 8.47 4.72 0.00 2.03 1.79 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 2.49 2.51 0.00 166 R 8.68 4.71 0.00 2.16 2.23 0.00 3.28 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 167 Y 9.52 4.24 0.00 3.19 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 0.00 168 E 8.60 3.96 0.00 2.24 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 2.65 2.66 0.00 169 D 8.17 4.57 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.65 1.90 0.00 178 F 8.65 4.34 0.00 2.82 2.99 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 0.00 0.00 0.00 179 S 8.07 3.87 0.00 3.78 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 0.00 180 E 7.79 4.11 0.00 2.30 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 2.26 0.00 181 I 7.46 3.70 1.80 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 1.36 0.89 0.92 0.00 0.00 182 V 7.40 3.22 1.46 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 0.40 0.00 0.00 -0.43 0.00 0.00 183 E 7.61 3.83 0.00 2.11 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 2.28 0.00 184 F 7.63 4.29 0.00 3.02 3.29 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 0.00 185 L 8.07 3.58 0.00 1.55 1.61 1.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 186 D 7.86 4.27 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 0.00 187 L 8.13 4.14 0.00 1.71 1.56 0.92 0.75 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 0.00 188 G 7.46 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 0.00 189 G 8.36 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 0.00 190 P 0.00 4.84 0.00 2.17 2.02 0.00 3.82 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 1.90 1.92 0.00 191 V 8.26 4.41 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 0.89 0.00 0.00 0.93 0.00 0.00 192 D 8.63 5.06 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 8.40 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.91 0.00 0.00 194 E 8.41 4.18 0.00 1.96 1.94 0.00 0.00 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8.52 3.96 0.00 3.13 3.11 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 0.00 256 L 6.78 3.86 0.00 1.40 1.40 0.65 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 257 G 8.88 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 0.00 258 E 8.94 3.94 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 2.38 2.37 0.00 259 D 7.83 4.45 0.00 2.90 2.90 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 0.00 260 I 7.76 3.64 1.96 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 1.46 1.06 0.86 0.00 0.00 261 E 7.87 3.96 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 262 S 8.78 4.11 0.00 3.95 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 0.00 263 D 8.45 4.40 0.00 2.84 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 0.00 264 Y 8.16 3.96 0.00 3.02 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 0.00 265 Q 8.46 3.96 0.00 2.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 266 E 7.83 3.90 0.00 2.41 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 2.19 0.00 267 L 7.44 3.92 0.00 1.55 1.28 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 268 L 7.79 4.25 0.00 1.68 1.67 0.83 1.42 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 *269 H 7.91 5.14 0.00 2.88 2.82 0.00 7.20 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 0.00 270 G 7.92 4.18 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 0.00 0.00 0.00 271 D 8.86 4.95 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 272 S 8.15 4.52 0.00 4.12 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 0.00 273 G 8.68 4.38 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 0.00 274 F 8.11 4.22 0.00 3.16 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 0.00 275 A 8.37 4.29 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 0.00 276 L 8.05 3.79 0.00 1.65 1.64 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 277 Y 8.56 4.14 0.00 2.85 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 0.00 278 A 8.79 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 279 K 8.41 4.04 0.00 1.73 1.90 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.53 7.81 280 Q 7.82 4.02 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 281 Y 7.61 4.55 0.00 2.80 2.48 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 0.00 0.00 0.00 282 G 8.32 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 0.00 283 Y 8.10 4.87 0.00 3.19 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 0.00 284 A 8.05 4.72 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 0.00 285 G 8.31 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.