NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2701 8.1749 115.2436 61.8413 68.0167 173.2431 6 L 4.5006 8.2947 129.0246 52.1048 43.1862 174.4720 7 D 5.0175 8.6133 122.1185 50.6894 44.7686 176.5915 8 K 3.8911 8.4925 117.6794 60.0740 31.8099 179.6060 9 T 3.8425 7.9269 115.1260 66.7352 68.2843 176.0015 10 D 4.4431 8.2211 119.5405 57.7387 41.1184 179.2724 11 I 3.8309 7.9593 119.8040 64.4503 37.2643 178.2789 12 K 3.8049 8.0682 120.3187 59.6362 31.6832 178.5623 13 I 3.6815 7.5582 119.9242 64.4561 37.1168 178.1284 14 L 3.9659 8.1141 119.8909 58.0067 41.0418 179.7157 15 Q 3.9837 8.0129 117.3197 58.8839 28.6566 178.9419 16 V 3.4794 7.7165 118.9871 66.0006 31.4270 178.0539 17 L 4.1746 8.5290 118.3418 58.1159 41.6004 178.9201 18 Q 4.0955 8.2767 116.9333 59.1677 28.7160 178.8183 19 E 4.5158 7.6314 117.3152 56.7640 31.0225 176.2425 20 N 4.9526 8.3146 116.5320 51.1763 38.9831 174.9312 21 G 3.6916 8.3724 108.1797 46.8117 0.0000 171.6723 22 R 4.4353 7.2266 119.2172 55.8406 30.0974 175.9463 23 L 4.3618 7.7700 115.9374 54.4720 42.4857 176.7709 24 T 4.5271 8.1063 110.7788 60.1303 71.7790 175.0909 25 N 4.1891 8.6798 121.5013 57.1758 38.8648 177.0536 26 V 3.5609 7.8295 118.7609 66.1770 31.5905 177.7607 27 E 3.9110 8.1360 117.9258 59.3824 29.4238 179.0227 28 L 3.9639 8.3103 121.0191 58.1253 42.1050 178.8771 29 S 4.1274 8.7064 114.5872 61.5919 62.6883 176.0503 30 E 3.9078 7.9022 122.2562 59.0341 29.1988 179.0036 31 R 3.8919 7.6340 116.3123 59.5874 30.1649 178.7959 32 V 3.6727 7.7500 107.1490 61.5763 31.6468 175.7398 33 A 3.7768 7.7844 121.8380 53.6024 16.0593 176.4373 34 L 4.8934 8.4234 119.2109 53.0903 46.0559 177.6356 35 S 4.6058 8.1932 115.4901 56.8479 65.1916 173.5871 36 P 4.2333 0.0000 0.0000 66.5049 30.9407 178.7759 37 S 4.1781 8.0448 115.0711 60.5859 62.6222 174.9472 38 P 4.3432 0.0000 0.0000 65.4947 31.1285 178.0360 39 C 4.1087 8.4230 119.2621 62.3849 31.4667 175.2122 40 L 3.9290 8.6028 122.7793 58.1562 41.5621 178.8535 41 R 3.8801 7.9296 118.2633 59.4584 30.0010 178.5396 42 R 4.0406 7.7377 117.6693 59.2136 30.0012 178.4874 43 L 3.9829 8.1752 120.0038 58.3675 41.9850 178.9007 44 K 3.9200 8.4330 119.5026 59.4189 32.1874 178.2046 45 Q 3.9270 8.8216 120.5184 59.5992 28.9938 179.3734 46 L 4.0291 8.5192 119.9032 57.7499 41.3799 179.5270 47 E 3.9391 7.8382 117.6086 59.5728 29.5742 178.5559 48 D 4.5919 8.1791 117.9348 57.4955 40.9899 179.0075 49 A 4.1802 7.6768 119.4360 56.3630 18.6136 178.1392 50 G 3.9004 7.7193 100.9809 45.3840 0.0000 174.9384 51 I 3.6851 8.0233 121.1513 63.8378 37.1806 176.2523 52 V 4.0509 7.5703 119.9428 61.2137 31.8284 175.3029 53 R 4.2638 8.1400 123.4972 56.4912 30.4050 176.0848 54 Q 4.4467 6.9621 116.6731 55.9108 31.4577 171.7717 55 Y 4.6298 8.7542 120.9627 56.1594 39.8414 175.2284 56 A 4.6988 8.3481 126.0369 50.0512 22.3626 174.9922 57 A 4.2690 8.5715 124.3527 51.5092 19.3527 176.9820 58 L 4.5604 8.4049 123.3772 53.1282 43.1488 176.2894 59 L 4.4833 8.1069 123.4160 53.1179 43.3426 176.0861 60 S 4.3311 8.3448 116.5358 56.9250 63.0916 172.0553 61 P 4.2200 0.0000 0.0000 65.8302 31.3567 178.3770 62 E 4.0378 8.3135 117.5849 58.5865 29.6951 178.5678 63 S 4.0415 7.4158 113.4400 60.5670 62.1410 175.0565 64 V 4.2930 7.5759 113.2242 60.9643 31.6002 176.9510 65 N 4.3726 8.5306 118.0421 53.8313 38.7644 173.6610 66 L 4.5501 7.4228 116.9650 54.8307 40.3393 176.0169 67 G 3.9888 8.2631 110.7827 46.1642 0.0000 171.0146 68 L 4.7588 8.0563 123.4718 53.4192 44.1666 174.9611 69 Q 4.4585 8.6665 127.6702 54.1130 31.4202 173.7018 70 A 4.7218 8.6819 128.6969 49.9123 22.4499 174.9930 71 F 5.2147 8.5124 119.5174 56.0574 41.2988 174.6844 72 I 4.7771 9.2036 125.6986 59.8290 39.8987 175.5367 73 R 4.9302 9.7160 126.6622 54.9031 31.6675 175.2176 74 V 4.6803 8.9064 125.0585 61.3314 34.4329 174.5361 75 S 4.9617 8.9662 121.2977 56.4829 64.5527 172.9003 76 I 4.1670 8.4069 127.7202 59.9814 38.7605 175.3716 77 R 4.1838 8.6845 128.4928 56.1587 30.9068 177.0532 78 K 4.3136 8.5254 123.7356 55.0920 30.9614 175.7054 79 A 4.6506 7.6689 124.8061 50.5657 22.2151 177.6152 80 K 4.0553 8.6876 119.7116 59.5349 32.6554 179.3799 81 D 4.6481 8.2298 118.5832 56.3291 39.2368 178.0769 82 A 3.9944 7.6400 121.9124 55.2788 18.4744 179.9171 83 R 3.8987 7.9791 116.0970 58.8359 30.1853 178.8839 84 E 4.0373 8.0384 116.8992 59.2084 30.2612 178.1628 85 D 4.3265 8.0687 120.3913 56.9587 40.8833 178.6366 86 F 3.9007 7.9870 120.4341 61.1669 39.1749 176.7312 87 A 3.6933 7.8046 119.5568 55.3473 17.9682 179.6086 88 A 3.8083 8.1559 117.7737 55.1037 18.6623 179.8413 89 S 3.6763 8.0387 114.2861 61.4967 62.7461 177.0506 90 V 2.6399 6.7417 120.8413 65.3360 30.8711 178.1595 91 R 3.8858 7.1400 116.9581 57.8944 29.9016 177.3273 92 K 4.2413 7.1777 116.0977 55.7060 32.6881 176.3186 93 W 4.9842 7.3841 121.6151 54.3640 28.7565 175.2247 94 P 4.4039 0.0000 0.0000 65.0848 31.1864 177.7746 95 E 3.7492 8.2378 116.6084 57.6537 29.8743 176.0638 96 V 4.4279 7.3779 119.6539 61.4715 32.0289 175.2087 97 L 4.2701 8.6218 128.2935 57.4890 42.0394 177.5279 98 S 4.7552 7.7514 112.8988 57.0484 66.9509 172.5509 99 C 5.0326 7.3681 118.7682 58.7514 34.4509 173.0819 100 F 5.1092 9.1523 124.0811 55.8572 43.2600 173.5285 101 A 4.1979 8.9938 125.8956 51.5987 18.6618 176.7484 102 L 4.6758 8.1040 122.6586 53.6143 44.3254 176.6774 103 T 4.1615 8.2340 110.7262 61.3609 70.2945 175.0213 104 G 3.8129 8.3976 108.0250 44.2599 0.0000 172.7499 105 E 4.0248 8.4455 115.3509 58.7729 30.0724 176.8772 106 T 4.1381 7.7138 114.7040 61.7370 68.0706 173.5253 107 D 4.4897 8.9406 129.1797 57.0949 42.2156 176.0206 108 Y 5.2047 8.4288 115.2355 56.0168 42.5218 174.1190 109 L 5.2563 9.6343 125.8251 53.3379 44.9413 174.7818 110 L 5.3996 9.6373 126.4707 53.0399 44.8989 174.9649 111 Q 5.0545 8.7354 124.3408 54.4080 31.1971 174.1252 112 A 4.9838 8.6762 126.9040 50.4303 23.2176 174.4803 113 F 5.0571 8.4637 118.2611 55.7737 42.0911 175.0183 114 F 4.8606 9.5050 119.9031 56.3504 43.2498 175.9929 115 T 4.0207 9.2347 117.1485 67.4932 69.2587 174.9170 116 D 4.5777 8.3598 121.9984 54.1267 46.7138 176.4075 *118 N 4.4951 9.6945 115.5398 53.2319 41.5930 174.6570 119 A 4.0261 8.5060 119.9077 55.2720 18.2983 179.2030 120 F 2.9990 7.9328 118.5156 61.2819 39.5094 176.8880 121 S 4.1671 8.2807 112.1870 62.2928 62.0323 175.9927 122 H 4.4559 8.2580 118.3480 58.4106 28.3841 177.6640 123 F 3.9397 8.0610 122.6805 61.3040 39.2543 177.7084 124 V 3.2150 7.5968 111.9381 64.2370 31.1471 178.7314 125 L 3.9098 7.4496 116.9570 57.5168 41.6501 177.9477 126 D 4.7257 7.6048 114.8246 54.5919 41.1007 176.6346 127 T 4.3393 7.1411 114.6930 65.0598 73.1576 175.8121 128 L 3.4687 7.0103 121.3505 57.9978 42.1031 178.3138 129 L 4.1783 7.8975 117.4208 57.2081 41.8442 178.9077 130 S 4.2052 7.8734 113.9680 61.1374 63.2590 174.4251 131 H 4.2397 7.9416 120.5652 56.3351 30.0114 175.6485 132 H 4.2723 9.0270 122.6051 58.6991 28.7807 176.8770 133 G 3.5774 7.9567 107.0256 48.5227 0.0000 173.6329 134 V 3.7798 7.4934 120.5556 62.9677 30.7204 175.7115 135 Q 4.2702 8.6147 130.3346 58.4162 30.4801 174.7666 136 D 4.6913 7.5832 115.1716 53.2823 44.6209 174.1115 137 A 5.2095 8.4616 123.9075 50.4790 22.6971 175.6447 138 Q 4.5530 8.9401 121.8136 54.9908 32.3885 173.5484 139 S 5.1513 8.8989 120.9170 56.7138 66.1148 173.3180 140 S 5.0132 8.9276 117.8496 56.8294 66.7500 172.7615 141 F 5.2133 8.5317 118.4772 55.5535 42.6810 175.3616 142 V 3.9432 8.4056 122.8555 61.4338 31.7547 176.3309 143 L 4.2524 8.5534 125.0977 56.5321 42.2238 177.2812 144 K 4.1931 7.6026 116.4632 55.4378 34.8286 174.2356 145 E 4.3899 8.7620 127.9959 55.0069 28.7906 175.5575 146 I 3.9416 8.3155 128.2779 63.9081 37.6397 176.9781 147 K 4.2946 7.6872 116.6239 56.0167 34.5884 174.2858 148 H 4.5236 8.6099 125.2181 56.0463 30.7516 172.1707 149 T 4.6465 8.1929 120.7693 60.4054 70.2795 173.4548 150 T 4.3732 8.2273 113.3789 61.3824 70.0200 174.6716 151 S 4.4917 7.8256 118.5527 57.5564 63.5353 174.3501 152 L 4.2290 8.7346 126.3869 53.5297 42.1076 175.0243 153 P 4.5460 0.0000 0.0000 62.5668 32.3481 176.0948 154 L 4.6516 8.1066 117.7638 54.2934 43.9680 178.1525 155 N 4.4007 8.0523 116.6013 55.9681 38.5993 176.0569 156 H 4.5432 8.0258 111.7744 56.7818 28.7634 175.6866 157 L 4.4125 8.0376 119.6205 55.2230 42.3152 176.5762 158 L 4.2735 7.6218 123.3146 54.7817 41.6646 176.2387 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 5 T 8.17 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 L 8.29 4.50 0.00 1.74 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.61 5.02 0.00 3.08 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 8 K 8.49 3.89 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.55 7.81 9 T 7.93 3.84 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 1.26 0.00 0.00 10 D 8.22 4.44 0.00 3.00 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 11 I 7.96 3.83 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.00 0.92 0.00 0.00 12 K 8.07 3.80 0.00 1.88 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 13 I 7.56 3.68 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.95 0.00 0.00 14 L 8.11 3.97 0.00 1.85 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.01 3.98 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 16 V 7.72 3.48 2.25 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 1.12 0.00 0.00 0.97 0.00 0.00 17 L 8.53 4.17 0.00 1.72 1.83 1.08 1.05 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 18 Q 8.28 4.10 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 19 E 7.63 4.52 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 20 N 8.31 4.95 0.00 2.70 2.70 0.00 0.00 6.84 8.51 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 21 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.23 4.44 0.00 1.63 1.89 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 23 L 7.77 4.36 0.00 1.67 1.59 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.11 4.53 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 25 N 8.68 4.19 0.00 2.78 2.86 0.00 0.00 6.72 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 26 V 7.83 3.56 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.14 3.91 0.00 2.22 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 2.32 2.30 0.00 28 L 8.31 3.96 0.00 1.72 1.66 0.94 0.86 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 29 S 8.71 4.13 0.00 4.05 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 30 E 7.90 3.91 0.00 2.24 2.19 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 2.31 2.36 0.00 31 R 7.63 3.89 0.00 1.88 1.98 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 32 V 7.75 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.07 0.00 0.00 33 A 7.78 3.78 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 34 L 8.42 4.89 0.00 1.55 1.56 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.19 4.61 0.00 3.86 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 36 P 0.00 4.23 0.00 2.25 2.32 0.00 3.70 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 2.07 0.00 37 S 8.04 4.18 0.00 3.88 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 38 P 0.00 4.34 0.00 2.26 2.30 0.00 3.63 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 2.32 2.02 0.00 39 C 8.42 4.11 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.60 3.93 0.00 2.10 1.77 0.92 0.33 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 41 R 7.93 3.88 0.00 1.96 1.91 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 R 7.74 4.04 0.00 2.11 2.09 0.00 3.38 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 43 L 8.18 3.98 0.00 1.78 1.71 1.08 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.43 3.92 0.00 1.92 2.09 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.66 7.81 45 Q 8.82 3.93 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 46 L 8.52 4.03 0.00 1.86 1.71 1.00 0.94 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 47 E 7.84 3.94 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 48 D 8.18 4.59 0.00 2.76 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 49 A 7.68 4.18 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 50 G 7.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.02 3.69 1.98 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 1.30 0.57 0.90 0.00 0.00 52 V 7.57 4.05 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 0.20 0.00 0.00 0.85 0.00 0.00 53 R 8.14 4.26 0.00 1.92 2.00 0.00 3.13 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 54 Q 6.96 4.45 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 55 Y 8.75 4.63 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.35 4.70 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.57 4.27 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 L 8.40 4.56 0.00 1.64 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.11 4.48 0.00 1.52 1.50 0.87 0.89 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 60 S 8.34 4.33 0.00 3.81 3.75 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 61 P 0.00 4.22 0.00 2.47 1.89 0.00 3.72 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 2.10 1.99 0.00 62 E 8.31 4.04 0.00 2.19 2.28 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 2.37 2.30 0.00 63 S 7.42 4.04 0.00 3.81 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 64 V 7.58 4.29 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 0.73 0.00 0.00 0.99 0.00 0.00 65 N 8.53 4.37 0.00 2.89 2.95 0.00 0.00 7.25 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 66 L 7.42 4.55 0.00 1.86 1.78 0.80 0.80 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 67 G 8.26 3.99 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 0.00 0.00 0.00 68 L 8.06 4.76 0.00 1.88 1.83 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.67 4.46 0.00 1.34 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 70 A 8.68 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.51 5.21 0.00 2.95 2.89 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 72 I 9.20 4.78 2.04 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 1.41 0.96 1.05 0.00 0.00 73 R 9.72 4.93 0.00 1.81 1.93 0.00 3.14 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 74 V 8.91 4.68 2.23 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 0.79 0.00 0.00 1.15 0.00 0.00 75 S 8.97 4.96 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.41 4.17 1.33 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.61 0.91 0.00 0.00 77 R 8.68 4.18 0.00 1.91 1.78 0.00 3.15 0.00 0.00 3.08 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 78 K 8.53 4.31 0.00 1.79 1.78 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.37 7.81 79 A 7.67 4.65 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.69 4.06 0.00 1.77 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.39 7.81 81 D 8.23 4.65 0.00 2.92 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 82 A 7.64 3.99 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 83 R 7.98 3.90 0.00 1.92 2.07 0.00 3.24 0.00 0.00 3.58 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 84 E 8.04 4.04 0.00 2.19 2.20 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 2.57 2.48 0.00 85 D 8.07 4.33 0.00 3.01 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 86 F 7.99 3.90 0.00 2.86 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.80 3.69 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.81 1.24 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 0.00 0.00 89 S 8.04 3.68 0.00 3.32 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 90 V 6.74 2.64 1.53 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 0.97 0.00 0.00 -0.20 0.00 0.00 91 R 7.14 3.89 0.00 1.57 1.85 0.00 3.11 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 92 K 7.18 4.24 0.00 1.63 1.77 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.39 7.81 93 W 7.38 4.98 0.00 3.45 3.15 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 0.00 0.00 0.00 0.00 94 P 0.00 4.40 0.00 2.18 2.21 0.00 3.96 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 95 E 8.24 3.75 0.00 1.26 1.90 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 2.32 1.68 0.00 96 V 7.38 4.43 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 0.99 0.00 0.00 1.14 0.00 0.00 97 L 8.62 4.27 0.00 1.68 1.76 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.75 4.76 0.00 3.82 3.54 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 99 C 7.37 5.03 0.00 2.86 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 0.00 100 F 9.15 5.11 0.00 3.06 2.81 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 0.00 101 A 8.99 4.20 0.98 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 0.00 102 L 8.10 4.68 0.00 1.51 1.56 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.23 4.16 4.21 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 1.17 0.00 0.00 104 G 8.40 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 0.00 105 E 8.45 4.02 0.00 2.09 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 2.27 2.30 0.00 106 T 7.71 4.14 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 1.21 0.00 0.00 107 D 8.94 4.49 0.00 3.00 2.80 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 0.00 108 Y 8.43 5.20 0.00 2.98 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 0.00 109 L 9.63 5.26 0.00 1.80 1.69 1.14 0.63 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 0.00 110 L 9.64 5.40 0.00 1.74 1.70 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.74 5.05 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.07 1.75 0.00 112 A 8.68 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.46 5.06 0.00 2.68 2.80 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 0.00 114 F 9.51 4.86 0.00 2.99 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 0.00 115 T 9.23 4.02 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 1.36 0.00 0.00 116 D 8.36 4.58 0.00 2.75 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 *118 N 9.69 4.50 0.00 2.82 3.06 0.00 0.00 6.75 8.52 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 0.00 119 A 8.51 4.03 1.53 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 0.00 0.00 120 F 7.93 3.00 0.00 2.80 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 0.00 121 S 8.28 4.17 0.00 3.97 3.99 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 0.00 122 H 8.26 4.46 0.00 3.40 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.06 3.94 0.00 3.18 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 0.00 124 V 7.60 3.22 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 0.01 0.00 0.00 0.91 0.00 0.00 125 L 7.45 3.91 0.00 1.73 1.67 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.60 4.73 0.00 2.70 2.60 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 0.00 127 T 7.14 4.34 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 128 L 7.01 3.47 0.00 0.69 1.50 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.90 4.18 0.00 1.60 1.67 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.87 4.21 0.00 3.82 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 0.00 131 H 7.94 4.24 0.00 3.60 3.46 0.00 5.59 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 0.00 132 H 9.03 4.27 0.00 3.32 3.42 0.00 5.58 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 0.00 133 G 7.96 3.58 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 0.00 134 V 7.49 3.78 2.26 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 0.68 0.00 0.00 0.97 0.00 0.00 135 Q 8.61 4.27 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 136 D 7.58 4.69 0.00 2.75 2.43 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 0.00 137 A 8.46 5.21 1.21 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 0.00 0.00 138 Q 8.94 4.55 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 139 S 8.90 5.15 0.00 3.79 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 0.00 140 S 8.93 5.01 0.00 3.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.53 5.21 0.00 2.73 2.79 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 0.00 142 V 8.41 3.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.02 0.00 0.00 143 L 8.55 4.25 0.00 1.68 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.60 4.19 0.00 1.68 1.66 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 145 E 8.76 4.39 0.00 2.02 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 0.00 2.33 2.40 0.00 146 I 8.32 3.94 1.90 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 1.33 0.94 0.93 0.00 0.00 147 K 7.69 4.29 0.00 1.68 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 148 H 8.61 4.52 0.00 3.15 3.44 0.00 5.92 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.19 4.65 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 1.23 0.00 0.00 150 T 8.23 4.37 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 1.20 0.00 0.00 151 S 7.83 4.49 0.00 4.01 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 0.00 152 L 8.73 4.23 0.00 1.63 1.62 0.92 1.23 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 0.00 153 P 0.00 4.55 0.00 2.09 2.00 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 154 L 8.11 4.65 0.00 1.65 1.66 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.05 4.40 0.00 2.73 2.87 0.00 0.00 6.88 8.16 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 0.00 156 H 8.03 4.54 0.00 3.20 3.42 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.04 4.41 0.00 1.77 1.78 0.97 0.81 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 0.00 158 L 7.62 4.27 0.00 1.66 1.57 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.