NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.7634 8.3193 115.5545 58.5458 64.6605 172.4335 12 M 4.7003 8.8600 118.2274 52.6606 34.4116 169.3175 13 V 4.5492 8.4823 120.6937 62.2114 33.7312 176.0999 14 Q 4.5385 9.0570 127.5101 54.5397 32.6859 173.6330 15 R 4.7978 8.6220 125.2279 55.4341 31.4791 175.9390 16 V 4.4518 8.8974 123.5250 60.9388 34.9975 173.6214 17 E 5.0573 8.8536 127.5546 54.4385 32.3445 174.6229 18 I 4.6215 8.8857 127.4583 59.8625 40.7010 174.0107 19 H 5.0957 8.9081 124.4212 54.3011 29.6472 175.5360 20 K 4.3892 9.0914 123.9768 56.3921 33.0207 176.1216 21 L 4.6694 8.5905 125.2054 53.0917 44.4619 175.3343 22 R 4.3512 8.7054 127.1515 56.0964 30.3753 176.8473 23 Q 4.4752 8.7647 131.6133 54.0746 29.4962 175.8997 24 G 3.8274 8.5379 114.6169 46.0281 0.0000 172.7165 25 E 4.2482 9.4046 125.3679 58.0254 31.1327 176.7417 26 N 4.8377 7.8466 117.2823 52.1283 39.7250 178.4262 27 L 5.2303 8.3622 119.1301 53.4502 43.9413 176.0676 28 I 4.6335 8.7819 116.8242 59.2854 40.9261 176.2307 29 L 4.2072 8.6215 122.1735 54.9016 42.6671 177.7123 30 G 3.7544 9.6307 106.4094 45.2471 0.0000 172.1621 31 F 5.4164 7.5514 112.2032 55.7343 41.3428 173.0871 32 S 4.9072 9.3313 114.5584 56.5936 66.2570 173.6158 33 I 5.1152 8.4195 115.7066 59.3078 40.2185 174.6573 34 G 4.2629 9.3299 110.0515 45.3263 0.0000 172.1412 35 G 4.3008 8.0555 104.9501 44.1905 0.0000 172.6148 36 G 4.2881 8.4860 105.2644 43.8172 0.0000 175.4804 37 I 3.8217 8.3480 114.9429 62.8168 37.7131 176.8720 38 D 4.5420 8.0594 119.1635 54.3471 39.9462 176.0722 39 Q 4.4636 7.7253 119.1462 54.1147 30.8718 175.0034 40 D 4.5509 8.3512 119.8889 52.9506 40.9641 175.2971 41 P 4.4497 0.0000 0.0000 64.8478 31.6805 178.6211 42 S 4.1639 8.1769 113.6252 60.9051 62.8337 175.0421 43 Q 4.1329 7.8813 118.3289 56.0613 28.8082 174.9730 44 N 4.6291 7.7726 118.3236 51.6002 38.8058 172.9806 45 P 4.2567 0.0000 0.0000 64.1510 31.9955 177.1524 46 F 4.4146 8.0203 117.8238 59.0453 39.3924 176.5347 47 S 4.2792 7.5161 114.4133 57.8546 63.5707 173.8219 48 E 4.0503 8.7492 122.8062 57.6333 30.1081 175.7642 49 D 4.8398 7.8621 118.4061 52.2067 42.5638 175.8860 50 K 4.2190 8.7458 124.9953 57.5073 31.9598 177.5675 51 T 4.2884 8.3456 109.0240 61.2562 69.2046 174.2497 52 D 4.4555 8.0541 123.1117 54.8057 41.0947 175.3135 53 K 4.5121 8.7153 125.7151 56.4018 33.7583 176.9688 54 G 4.2369 8.8848 110.0173 46.1380 0.0000 172.6862 55 I 5.0149 8.1948 120.2851 60.3609 38.6691 174.9590 56 Y 4.9449 9.1768 125.0950 55.7706 41.7691 175.3649 57 V 4.3417 8.8492 124.0948 63.4279 31.8273 176.2892 58 T 4.0882 8.8071 118.8527 62.3675 70.2128 175.1325 59 R 4.7797 7.7156 120.1177 54.8035 35.0015 173.9820 60 V 4.6944 8.1980 121.6042 60.9563 34.4002 174.8074 61 S 4.3314 9.1499 124.0435 57.6752 63.3958 173.0543 62 E 4.0845 8.8181 128.7432 57.8455 29.6847 176.8538 63 G 3.8928 9.6699 115.4006 45.6994 0.0000 173.8967 64 G 4.0049 7.7461 107.2132 42.8097 0.0000 173.0532 65 P 4.2889 0.0000 0.0000 65.4052 31.2528 178.9519 66 A 3.9837 8.1366 119.6712 55.0426 18.3240 179.1687 67 E 3.8531 8.1735 117.3073 59.7278 29.5443 179.0526 68 I 3.7456 7.5815 118.0980 64.1824 37.2299 177.9127 69 A 4.2092 7.9544 120.2316 53.2437 18.2633 178.2613 70 G 3.9319 7.6768 105.4465 44.8475 0.0000 173.7473 71 L 4.0005 7.5971 121.4194 54.7388 42.8187 176.2690 72 Q 4.6367 8.9379 123.5628 53.4913 32.1167 175.2369 73 I 3.8265 8.1546 121.8878 63.2325 37.4921 176.6893 74 G 3.9855 8.5931 114.0145 44.9196 0.0000 173.5836 75 D 4.5253 7.8304 120.5962 54.4836 42.1182 175.2632 76 K 4.0674 8.6268 124.6884 54.8106 33.8560 175.1840 77 I 4.1978 8.3127 129.6476 61.2628 37.2201 175.5461 78 M 4.3688 9.2056 127.6639 56.7796 34.0452 176.1613 79 Q 5.0966 7.7140 117.8103 54.7358 33.2216 173.9167 80 V 4.6338 8.8227 124.7278 62.0162 33.7283 175.2563 81 N 4.2653 10.3250 127.4113 54.3975 36.5671 175.6888 82 G 3.9246 8.5596 104.9421 45.0135 0.0000 173.7444 83 W 4.3954 8.3119 121.1711 55.1235 30.2166 175.2697 84 D 4.8709 8.6844 123.2477 54.5757 40.6808 175.5184 85 M 4.7370 8.9647 124.8234 55.2776 32.8421 177.8696 86 T 4.1300 8.4262 110.8963 64.2296 69.0922 175.1312 87 M 4.8258 7.4099 116.6847 54.8957 33.5814 175.8339 88 V 4.1758 7.6645 112.6680 60.7366 32.9790 175.9115 89 T 4.6363 8.8725 113.1915 61.3723 70.8635 175.2190 90 H 4.1099 9.3723 121.4150 59.7464 29.7297 176.9285 91 D 4.3508 8.0967 119.1517 57.2307 41.1452 177.9069 92 Q 3.9089 8.2258 118.5786 58.8037 28.4492 178.7340 93 A 3.9426 7.7607 120.8788 54.9952 18.7574 179.1923 94 R 3.8789 7.9087 117.2062 59.6513 30.0156 178.8745 95 K 3.9089 8.1775 118.2909 59.5942 31.8247 179.6593 96 R 3.8022 7.7722 117.0295 58.4904 30.0025 178.2406 97 L 4.4428 7.4195 116.7041 55.2431 41.9924 177.1717 98 T 4.5210 7.1521 108.2975 60.8324 69.3305 174.0245 99 K 4.0399 7.9813 122.4503 57.0716 32.1632 178.3676 100 R 3.9172 8.5570 123.9136 58.9972 30.2590 178.2292 101 S 4.1158 8.0604 111.4166 59.9969 62.6257 173.2563 102 E 4.5329 7.8810 120.1183 54.5436 30.1281 175.3271 103 E 4.1987 8.7229 126.0281 57.8135 31.1013 176.1510 104 V 4.8332 7.7226 118.2819 60.7570 34.3821 174.8346 105 V 4.5750 8.6832 127.1499 61.1845 34.3648 174.0827 106 R 5.0179 9.4849 127.4568 54.6062 32.1259 175.1680 107 L 5.2963 9.3668 124.3764 52.8833 45.3624 175.3090 108 L 5.0773 8.4982 122.1977 53.2798 43.9021 176.1077 109 V 4.9981 8.8333 116.6670 59.6611 36.1817 174.4689 110 T 5.0830 8.5854 112.7503 60.0474 71.5718 173.2186 111 R 4.8147 8.9099 126.4061 55.1502 33.5061 174.7068 112 Q 4.5525 8.9494 127.2837 55.7802 28.9478 172.8873 113 S 4.5632 8.4655 122.0367 56.3531 65.6825 174.1277 *121 S 4.1626 8.3245 116.5719 59.1485 62.1547 168.8407 122 M 4.3731 8.3629 124.7324 54.0430 32.2574 176.4747 123 L 3.9620 7.6309 122.0509 54.5339 42.2454 176.2509 124 S 4.2416 8.6615 121.8939 58.2206 62.3865 172.7536 125 E 4.7465 8.6332 127.2884 54.7063 31.8308 175.6789 126 T 4.5920 8.2096 118.7375 61.5300 71.5476 173.6557 127 E 4.2217 8.7740 126.3505 56.2358 30.3692 177.2963 128 V 4.0317 8.1573 115.2707 61.6090 32.4950 175.4789 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 11 S 8.32 4.76 0.00 3.96 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 12 M 8.86 4.70 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 13 V 8.48 4.55 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 0.70 0.00 0.00 0.92 0.00 0.00 14 Q 9.06 4.54 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 15 R 8.62 4.80 0.00 1.72 1.83 0.00 3.19 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 16 V 8.90 4.45 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 0.87 0.00 0.00 0.86 0.00 0.00 17 E 8.85 5.06 0.00 1.96 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 0.00 2.13 2.24 0.00 18 I 8.89 4.62 1.93 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 1.23 0.55 1.01 0.00 0.00 19 H 8.91 5.10 0.00 3.00 3.42 0.00 5.90 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.09 4.39 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.53 7.81 21 L 8.59 4.67 0.00 1.76 1.51 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.71 4.35 0.00 1.87 1.84 0.00 3.26 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 23 Q 8.76 4.48 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.42 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 24 G 8.54 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.40 4.25 0.00 1.96 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 2.25 2.28 0.00 26 N 7.85 4.84 0.00 2.41 2.68 0.00 0.00 6.75 6.67 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 27 L 8.36 5.23 0.00 1.47 1.58 0.99 0.80 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 28 I 8.78 4.63 1.83 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 1.22 0.71 0.88 0.00 0.00 29 L 8.62 4.21 0.00 1.61 1.99 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.63 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 0.00 0.00 0.00 31 F 7.55 5.42 0.00 3.16 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 32 S 9.33 4.91 0.00 3.81 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 33 I 8.42 5.12 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 1.04 0.00 0.00 34 G 9.33 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 0.00 0.00 0.00 0.00 35 G 8.06 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 0.00 0.00 0.00 0.00 36 G 8.49 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 0.00 0.00 0.00 0.00 37 I 8.35 3.82 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 1.43 0.66 1.02 0.00 0.00 38 D 8.06 4.54 0.00 2.82 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 39 Q 7.73 4.46 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 40 D 8.35 4.55 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 41 P 0.00 4.45 0.00 2.45 2.38 0.00 3.76 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 42 S 8.18 4.16 0.00 4.00 4.06 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 43 Q 7.88 4.13 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 44 N 7.77 4.63 0.00 2.67 2.76 0.00 0.00 6.92 6.68 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 45 P 0.00 4.26 0.00 1.64 1.86 0.00 3.69 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 0.73 1.62 0.00 46 F 8.02 4.41 0.00 2.92 3.16 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 47 S 7.52 4.28 0.00 4.05 3.42 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 48 E 8.75 4.05 0.00 1.99 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 2.29 2.26 0.00 49 D 7.86 4.84 0.00 2.70 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 50 K 8.75 4.22 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.33 7.81 51 T 8.35 4.29 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 1.22 0.00 0.00 52 D 8.05 4.46 0.00 2.81 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 53 K 8.72 4.51 0.00 1.80 1.84 0.00 1.75 0.00 0.00 2.00 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.66 7.81 54 G 8.88 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 0.00 0.00 0.00 0.00 55 I 8.19 5.01 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.96 0.00 0.00 56 Y 9.18 4.94 0.00 2.87 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 57 V 8.85 4.34 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 0.75 0.00 0.00 0.72 0.00 0.00 58 T 8.81 4.09 4.41 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 1.42 0.00 0.00 59 R 7.72 4.78 0.00 1.76 1.84 0.00 3.28 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 60 V 8.20 4.69 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 0.87 0.00 0.00 61 S 9.15 4.33 0.00 3.97 3.83 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 0.00 0.00 0.00 0.00 62 E 8.82 4.08 0.00 1.96 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 2.30 2.39 0.00 63 G 9.67 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 0.00 0.00 0.00 64 G 7.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.29 0.00 2.35 2.33 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 66 A 8.14 3.98 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 67 E 8.17 3.85 0.00 2.18 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 2.37 2.41 0.00 68 I 7.58 3.75 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.91 0.00 0.00 69 A 7.95 4.21 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 70 G 7.68 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 71 L 7.60 4.00 0.00 1.39 1.43 0.65 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.94 4.64 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 73 I 8.15 3.83 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.43 0.75 0.00 0.00 74 G 8.59 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 75 D 7.83 4.53 0.00 2.54 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 76 K 8.63 4.07 0.00 1.01 1.37 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.07 0.80 7.81 77 I 8.31 4.20 1.84 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.92 0.00 0.00 78 M 9.21 4.37 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 79 Q 7.71 5.10 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 80 V 8.82 4.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 81 N 10.32 4.27 0.00 2.96 2.98 0.00 0.00 7.40 7.64 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 82 G 8.56 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 0.00 0.00 0.00 83 W 8.31 4.40 0.00 3.60 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.68 4.87 0.00 2.62 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 85 M 8.96 4.74 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.81 0.00 86 T 8.43 4.13 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 M 7.41 4.83 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 88 V 7.66 4.18 2.18 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 0.82 0.00 0.00 1.03 0.00 0.00 89 T 8.87 4.64 4.37 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 1.27 0.00 0.00 90 H 9.37 4.11 0.00 3.39 3.37 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.10 4.35 0.00 2.85 2.64 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 92 Q 8.23 3.91 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 93 A 7.76 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 94 R 7.91 3.88 0.00 1.80 2.07 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 95 K 8.18 3.91 0.00 1.89 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.59 7.81 96 R 7.77 3.80 0.00 1.71 1.84 0.00 2.78 0.00 0.00 3.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 97 L 7.42 4.44 0.00 1.64 1.60 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.15 4.52 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 1.14 0.00 0.00 99 K 7.98 4.04 0.00 1.76 1.75 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.57 7.81 100 R 8.56 3.92 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 101 S 8.06 4.12 0.00 3.82 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 0.00 102 E 7.88 4.53 0.00 2.08 1.86 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 2.26 2.20 0.00 103 E 8.72 4.20 0.00 2.11 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 2.40 2.39 0.00 104 V 7.72 4.83 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 0.66 0.00 0.00 0.84 0.00 0.00 105 V 8.68 4.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 106 R 9.48 5.02 0.00 1.87 1.82 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 107 L 9.37 5.30 0.00 1.48 1.49 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.50 5.08 0.00 1.59 1.54 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.83 5.00 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 0.74 0.00 0.00 0.96 0.00 0.00 110 T 8.59 5.08 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 1.18 0.00 0.00 111 R 8.91 4.81 0.00 1.90 1.74 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 112 Q 8.95 4.55 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.51 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 113 S 8.47 4.56 0.00 3.96 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 *121 S 8.32 4.16 0.00 3.68 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 0.00 122 M 8.36 4.37 0.00 1.99 2.11 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 2.45 0.00 123 L 7.63 3.96 0.00 1.58 1.60 0.92 0.93 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 0.00 124 S 8.66 4.24 0.00 3.87 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 0.00 125 E 8.63 4.75 0.00 1.96 1.81 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 2.20 2.46 0.00 126 T 8.21 4.59 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 0.00 127 E 8.77 4.22 0.00 1.96 1.88 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 2.31 2.33 0.00 128 V 8.16 4.03 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 0.65 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.