NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2711 8.3444 121.7095 56.0017 31.0059 176.9515 5 K 3.9012 7.7610 118.7958 56.0492 31.1981 176.4630 *7 Q 4.2733 8.2643 116.6099 54.6827 31.5460 175.0816 8 E 3.9788 7.7252 119.5597 55.2473 30.0590 174.7937 9 P 4.2225 0.0000 0.0000 62.6516 31.9705 175.3872 10 L 4.3542 8.2196 123.3410 53.1000 43.2821 175.8143 11 V 3.8712 7.7668 125.3486 60.5713 33.6804 174.6317 12 Y 4.2979 8.2085 125.2899 58.4449 38.2907 176.5498 13 R 4.2257 9.4258 123.4304 58.1155 31.0007 177.3025 14 R 4.7020 8.6896 117.4325 55.0861 34.5505 174.2257 15 I 4.8105 9.0032 125.8219 59.3854 40.0124 174.5137 16 L 4.9801 9.0512 129.2912 53.2589 44.4265 174.5298 17 L 4.9397 8.9926 129.7319 54.0569 43.7831 174.9858 18 T 5.0732 8.6431 123.5940 62.1244 69.9915 174.5251 19 V 4.6472 8.8640 119.3678 59.7568 35.6251 175.0529 20 D 5.1306 8.3047 122.4826 51.5631 41.7717 175.4252 21 E 4.0797 8.5013 115.2859 57.9201 30.1785 176.0675 22 D 4.4239 8.1594 120.2404 53.5471 41.9360 175.0296 23 D 4.7350 8.5252 125.8957 52.7195 41.5081 174.9181 24 N 5.1243 8.9362 124.7543 50.6016 42.0486 175.0463 25 T 3.9054 8.3430 115.7588 67.0011 68.3585 177.0434 26 S 4.1956 8.0983 116.8727 61.5185 62.9256 176.7469 27 S 4.1815 8.7558 117.4176 61.2622 62.7552 176.1495 28 E 4.0826 8.4003 122.9583 59.3140 29.4670 179.1096 29 R 3.9943 8.2558 117.8396 59.0470 30.0720 178.9310 30 A 4.0698 8.4903 121.1150 55.1436 18.3736 179.4305 31 F 4.0207 8.4433 119.1481 61.5653 39.4521 177.5998 32 R 3.7932 8.4214 117.8567 59.1887 29.7582 178.4418 33 Y 4.0270 8.5517 119.5330 60.6981 38.8517 177.9024 34 A 3.7089 8.0189 121.9181 55.3034 18.4206 179.6314 35 T 3.7503 7.6867 108.1065 64.6096 68.9701 177.4119 36 T 3.7592 7.8072 118.9084 66.2372 68.4756 176.2449 37 L 3.9225 7.7324 122.2026 58.2310 42.1365 178.9194 38 A 4.0158 7.9783 120.6294 55.2897 18.1533 179.1094 39 H 3.9840 8.5566 117.0737 59.6763 29.8224 177.3382 40 D 4.2314 8.3670 119.4823 56.9503 40.6592 177.0144 41 Y 4.3604 7.8845 113.8596 56.9971 39.1963 174.6169 42 D 4.4040 7.5717 117.3295 55.5502 39.5981 172.6825 43 V 4.6841 7.7191 111.7123 58.7635 36.0723 175.9336 44 P 4.7836 0.0000 0.0000 62.6552 32.9098 175.0481 45 L 5.2599 9.1693 124.4202 53.2934 45.5016 175.2947 46 G 3.8543 9.2407 112.9403 44.1425 0.0000 171.9167 47 I 4.9529 8.5971 124.4954 59.5547 39.8907 174.0603 48 C 5.8197 9.0567 128.0814 57.0163 34.5430 172.4924 49 S 5.1510 8.4853 117.6813 56.9265 66.5143 172.2383 50 V 4.9561 8.2767 121.7705 61.1216 33.6846 174.7625 51 L 4.6805 9.0121 127.9977 53.3429 43.9880 175.5169 52 E 4.2356 8.4436 122.3036 56.1783 30.2792 176.2745 53 S 4.7614 8.4305 121.9121 56.7372 64.8884 174.0692 54 E 4.1357 8.5103 122.0939 56.4997 30.0533 175.9225 55 D 4.9589 8.3716 120.8127 52.0433 43.1267 177.1815 56 I 3.7329 8.5067 120.2589 63.9723 37.5850 176.5917 57 N 4.5057 8.6348 116.4903 53.9465 38.5986 174.8445 58 I 4.3036 7.7837 119.8285 59.4142 38.0253 174.8980 59 F 4.8158 8.5906 128.0669 56.4786 40.6880 173.6118 60 D 4.3481 7.7546 126.0305 52.0987 41.8194 175.5851 61 S 4.0772 8.3152 114.0904 60.6663 63.6635 175.7333 62 L 4.1913 7.9543 121.8292 57.4703 42.0330 178.2590 63 T 3.8676 8.4041 116.1189 66.4258 68.3948 174.6064 64 P 4.2431 0.0000 0.0000 65.6242 31.2700 178.9089 65 S 4.0963 7.9447 113.5925 61.2207 62.8562 176.2123 66 K 3.8621 8.0642 122.3229 59.7995 31.9059 178.9161 67 I 3.7519 8.0242 120.1491 64.5144 37.0317 178.5685 68 Q 3.9823 8.3367 118.8137 58.8226 28.4799 178.6142 69 A 4.0091 8.4093 122.3449 54.9221 18.3212 179.6243 70 K 3.9457 8.1854 118.2747 59.5967 32.1852 179.2726 71 R 3.9133 8.1958 118.5193 59.2176 29.9371 178.9749 72 K 4.1021 8.2164 119.4001 59.5797 32.0929 178.2522 73 H 4.1683 8.4138 118.6527 59.3996 29.7416 177.4154 74 V 3.5430 8.0048 120.0592 66.0555 31.3084 177.7174 75 E 3.9896 8.4670 118.5262 59.5852 29.2590 179.1462 76 D 4.3305 8.4608 119.2047 57.2544 40.7928 178.9877 77 V 3.4361 8.0044 118.9051 65.9561 31.4723 178.2628 78 V 3.7680 8.2030 118.0741 66.0818 31.3824 177.7955 79 A 4.0040 8.2569 120.6714 55.0901 18.0854 179.2812 80 E 3.8094 8.3499 117.8977 59.5860 29.6428 178.5238 81 Y 3.9198 8.0938 117.1248 61.0324 37.8906 178.8532 82 V 3.7127 8.2226 119.2450 66.3099 31.6447 178.0737 83 Q 4.2225 8.2992 117.7060 59.0902 28.5619 178.8978 84 L 4.0763 8.3586 120.0057 57.7081 41.6266 179.4485 85 A 4.1712 8.7297 121.0825 55.2272 18.3549 179.5063 86 E 3.9770 8.5034 117.1931 59.8061 29.3353 179.6810 87 Q 4.0778 8.1504 117.0244 58.8273 28.8367 178.4915 88 R 4.0904 7.9222 118.7388 57.6642 30.0965 177.2114 89 G 4.0346 7.7569 106.3493 45.2360 0.0000 173.4736 90 V 3.7842 7.5791 120.1444 62.4157 31.6656 176.0251 91 N 4.4533 8.8718 125.4957 55.6640 38.8492 174.7881 92 Q 4.6503 7.9781 116.5895 53.9658 32.0160 174.7732 93 V 5.1724 8.3688 123.0996 59.8698 34.5772 174.6587 94 E 4.9410 9.0632 120.8511 54.0653 33.3159 172.6202 95 P 4.8828 0.0000 0.0000 62.7480 33.0506 176.1895 96 L 4.7826 8.9401 121.6403 52.9136 43.0228 173.3464 97 V 4.6943 8.0390 120.1886 61.6647 32.9060 173.9712 98 Y 4.8190 8.9528 125.3438 56.0915 41.7851 174.3145 99 E 5.2071 9.1478 116.9927 54.2413 32.7370 175.1195 100 G 4.3606 8.0146 114.1767 45.2850 0.0000 173.0633 101 G 3.6894 8.0184 108.8639 46.6936 0.0000 172.6740 102 D 4.6654 7.6753 118.7494 51.9395 42.5088 175.8933 103 V 3.3867 8.7030 127.7874 65.5854 31.5458 177.1358 104 D 4.3065 8.0821 118.2881 57.6642 40.7020 178.3566 105 D 4.2611 8.2265 118.1202 57.1818 41.1623 178.3452 106 V 3.5320 7.9276 118.9287 66.0765 31.4455 178.1423 107 I 3.5120 7.7859 119.5942 64.3907 36.7225 178.5012 108 L 3.9838 7.9213 118.6787 56.9156 41.6004 178.3533 109 E 4.4926 8.4889 116.6642 56.4223 30.7829 176.6495 110 Q 4.4786 7.8969 115.8724 57.3486 30.6832 178.0097 111 V 3.0231 7.1332 118.2277 65.8337 31.6109 177.9791 112 I 3.7160 7.8518 119.7539 64.1227 36.8060 176.8178 113 P 4.2453 0.0000 0.0000 65.2016 31.1624 178.2611 114 E 4.2242 7.9677 116.8611 59.1470 29.8429 178.3471 115 F 4.3988 8.5430 118.9031 58.0640 40.4452 175.0937 116 K 3.8367 8.2178 117.1771 56.7708 29.6887 173.3027 117 P 4.5712 0.0000 0.0000 62.8917 32.4483 175.9764 118 D 4.9581 8.8612 117.4954 53.2179 41.2008 175.3763 119 L 4.7576 7.6071 121.6875 53.3417 45.7537 174.0692 120 L 5.0942 8.7548 128.3159 53.3296 44.3847 174.8733 121 V 4.8659 8.9291 126.3448 61.5013 34.1720 174.1270 122 T 4.8550 8.6779 120.8831 60.5008 71.4281 173.1344 123 G 4.1171 8.7333 113.7090 45.9150 0.0000 174.5646 124 A 4.2124 8.8906 125.0812 54.2522 18.4956 178.4348 125 D 4.6841 7.8108 113.3726 54.3641 41.9686 176.9054 126 T 4.0308 7.6452 118.3953 63.6398 68.7597 173.1570 127 E 4.8749 8.4795 123.1363 55.1692 32.7124 175.3194 128 F 4.6603 8.3050 118.0108 54.6998 39.8895 173.8846 129 P 4.3069 0.0000 0.0000 65.1144 31.4798 177.7948 130 H 4.4003 8.2326 112.4474 57.4338 28.8871 175.6239 131 S 4.8129 7.6777 114.5027 56.6158 63.0784 173.7165 132 K 3.9945 8.7027 123.5829 59.0676 31.8544 177.4217 133 I 4.3814 7.5911 117.0973 59.3145 39.1074 175.1058 134 A 4.4605 8.3451 127.4779 51.2615 20.5496 176.2993 135 G 3.8191 8.5975 105.0341 44.0905 0.0000 173.3716 136 A 4.2123 8.1417 121.6677 52.2892 18.7146 178.4222 137 I 4.0553 8.7143 123.4456 63.4095 37.9702 178.4071 138 G 3.6927 8.1010 106.5892 47.5960 0.0000 173.8002 139 P 4.2895 0.0000 0.0000 64.9012 31.3675 179.0171 140 R 3.9361 7.9390 116.6600 59.3250 30.0082 178.8906 141 L 4.0075 8.2532 118.7324 57.6895 41.3362 179.4094 142 A 3.9565 8.0824 120.4289 55.0340 18.3146 179.3744 143 R 3.9955 7.6830 116.2056 59.0274 30.3294 178.0596 144 K 4.2854 7.9329 115.9416 56.4491 33.1269 177.1788 145 A 4.2085 7.5207 122.0236 51.4249 18.8165 175.4069 146 P 4.6040 0.0000 0.0000 62.8202 31.8350 175.0045 147 I 4.7064 7.1235 111.6365 58.7478 41.0528 175.0926 148 S 4.3561 8.1765 117.7849 58.9083 63.8021 174.1763 149 V 4.7235 8.1528 122.3647 61.2461 34.5157 173.8999 150 I 4.3643 8.7793 128.5211 59.1945 40.2889 174.0761 151 V 4.5952 8.3663 129.5250 61.5158 32.5801 174.6995 152 V 4.2543 8.6728 129.1862 61.4048 33.4224 176.2339 153 R 4.2249 8.3241 125.2004 56.4570 30.8232 175.1845 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 4 Q 8.34 4.27 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.69 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 5 K 7.76 3.90 0.00 1.89 1.74 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 *7 Q 8.26 4.27 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 8 E 7.73 3.98 0.00 1.83 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 2.28 2.28 0.00 9 P 0.00 4.22 0.00 2.03 1.95 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 10 L 8.22 4.35 0.00 1.41 1.33 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.77 3.87 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 0.27 0.00 0.00 0.53 0.00 0.00 12 Y 8.21 4.30 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.43 4.23 0.00 1.83 1.96 0.00 3.45 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 14 R 8.69 4.70 0.00 1.61 1.51 0.00 2.92 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 15 I 9.00 4.81 1.90 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 1.15 0.91 0.87 0.00 0.00 16 L 9.05 4.98 0.00 1.86 1.55 0.68 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.99 4.94 0.00 1.69 1.55 0.94 0.56 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 18 T 8.64 5.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 19 V 8.86 4.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 1.06 0.00 0.00 20 D 8.30 5.13 0.00 2.41 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 0.00 0.00 0.00 0.00 21 E 8.50 4.08 0.00 1.77 1.98 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 2.22 2.17 0.00 22 D 8.16 4.42 0.00 2.60 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 23 D 8.53 4.74 0.00 2.58 2.54 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 24 N 8.94 5.12 0.00 2.95 2.87 0.00 0.00 6.70 7.01 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 25 T 8.34 3.91 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 1.23 0.00 0.00 26 S 8.10 4.20 0.00 4.00 4.15 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 27 S 8.76 4.18 0.00 4.14 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 28 E 8.40 4.08 0.00 2.14 2.27 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 2.43 2.44 0.00 29 R 8.26 3.99 0.00 2.02 2.01 0.00 3.21 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 30 A 8.49 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.44 4.02 0.00 3.16 3.37 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 32 R 8.42 3.79 0.00 2.10 2.01 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 33 Y 8.55 4.03 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.02 3.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.69 3.75 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 0.45 0.00 0.00 36 T 7.81 3.76 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 1.21 0.00 0.00 37 L 7.73 3.92 0.00 1.23 1.55 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.98 4.02 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 39 H 8.56 3.98 0.00 3.23 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.37 4.23 0.00 2.42 2.17 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 41 Y 7.88 4.36 0.00 3.11 2.94 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 0.00 0.00 0.00 42 D 7.57 4.40 0.00 2.79 2.68 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 43 V 7.72 4.68 2.34 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 0.91 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.78 0.00 2.13 2.04 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 45 L 9.17 5.26 0.00 1.73 1.49 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 G 9.24 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 0.00 0.00 0.00 47 I 8.60 4.95 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.84 0.00 0.00 48 C 9.06 5.82 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 49 S 8.49 5.15 0.00 4.03 3.74 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 50 V 8.28 4.96 1.57 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 0.81 0.00 0.00 0.73 0.00 0.00 51 L 9.01 4.68 0.00 1.58 1.55 0.92 0.67 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 52 E 8.44 4.24 0.00 1.62 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 2.26 2.33 0.00 53 S 8.43 4.76 0.00 3.90 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 54 E 8.51 4.14 0.00 1.98 1.91 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 2.33 2.31 0.00 55 D 8.37 4.96 0.00 2.66 2.52 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 0.00 56 I 8.51 3.73 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 1.43 0.71 0.92 0.00 0.00 57 N 8.63 4.51 0.00 2.85 2.92 0.00 0.00 6.82 7.95 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 58 I 7.78 4.30 1.91 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 1.34 0.90 0.93 0.00 0.00 59 F 8.59 4.82 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 60 D 7.75 4.35 0.00 2.65 2.52 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 0.00 61 S 8.32 4.08 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.95 4.19 0.00 1.69 1.77 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.40 3.87 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 1.21 0.00 0.00 64 P 0.00 4.24 0.00 2.13 2.24 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 65 S 7.94 4.10 0.00 3.97 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 66 K 8.06 3.86 0.00 1.82 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 67 I 8.02 3.75 1.87 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 1.52 0.55 0.91 0.00 0.00 68 Q 8.34 3.98 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 69 A 8.41 4.01 1.39 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 0.00 0.00 0.00 70 K 8.19 3.95 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 71 R 8.20 3.91 0.00 2.07 1.97 0.00 3.32 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 72 K 8.22 4.10 0.00 1.88 1.97 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 73 H 8.41 4.17 0.00 3.32 3.46 0.00 5.66 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 74 V 8.00 3.54 2.12 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 1.15 0.00 0.00 1.01 0.00 0.00 75 E 8.47 3.99 0.00 2.22 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 2.34 2.51 0.00 76 D 8.46 4.33 0.00 2.90 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 77 V 8.00 3.44 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 1.12 0.00 0.00 0.85 0.00 0.00 78 V 8.20 3.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.07 0.00 0.00 79 A 8.26 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 3.81 0.00 2.01 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 2.05 2.23 0.00 81 Y 8.09 3.92 0.00 3.19 2.92 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 82 V 8.22 3.71 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 1.09 0.00 0.00 1.02 0.00 0.00 83 Q 8.30 4.22 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 84 L 8.36 4.08 0.00 1.86 1.90 0.59 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.73 4.17 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 86 E 8.50 3.98 0.00 2.25 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 0.00 2.38 2.57 0.00 87 Q 8.15 4.08 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 88 R 7.92 4.09 0.00 1.96 2.21 0.00 3.21 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 89 G 7.76 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 0.00 0.00 0.00 90 V 7.58 3.78 2.22 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 0.81 0.00 0.00 0.96 0.00 0.00 91 N 8.87 4.45 0.00 2.77 2.88 0.00 0.00 6.93 7.69 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 92 Q 7.98 4.65 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 93 V 8.37 5.17 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 0.82 0.00 0.00 1.00 0.00 0.00 94 E 9.06 4.94 0.00 2.07 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 2.40 2.23 0.00 95 P 0.00 4.88 0.00 2.12 2.11 0.00 3.74 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 1.98 2.01 0.00 96 L 8.94 4.78 0.00 1.53 1.78 0.22 1.15 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 97 V 8.04 4.69 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 0.81 0.00 0.00 0.96 0.00 0.00 98 Y 8.95 4.82 0.00 2.84 2.84 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 99 E 9.15 5.21 0.00 1.91 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 2.16 2.32 0.00 100 G 8.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.02 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 0.00 102 D 7.68 4.67 0.00 2.66 2.52 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 0.00 103 V 8.70 3.39 1.82 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 0.29 0.00 0.00 0.55 0.00 0.00 104 D 8.08 4.31 0.00 2.91 2.69 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 0.00 105 D 8.23 4.26 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.53 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 0.94 0.00 0.00 1.03 0.00 0.00 107 I 7.79 3.51 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.83 0.00 0.00 108 L 7.92 3.98 0.00 1.62 1.70 0.93 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 0.00 109 E 8.49 4.49 0.00 1.92 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 2.46 2.50 0.00 110 Q 7.90 4.48 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 111 V 7.13 3.02 1.91 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 0.90 0.00 0.00 0.01 0.00 0.00 112 I 7.85 3.72 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.49 0.91 0.00 0.00 113 P 0.00 4.25 0.00 2.02 2.12 0.00 3.66 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 2.11 2.17 0.00 114 E 7.97 4.22 0.00 2.18 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 0.00 2.41 2.41 0.00 115 F 8.54 4.40 0.00 2.97 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 0.00 116 K 8.22 3.84 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 117 P 0.00 4.57 0.00 2.40 2.38 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 118 D 8.86 4.96 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.61 4.76 0.00 0.56 1.17 0.50 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.75 5.09 0.00 1.71 1.45 0.89 0.68 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 0.00 121 V 8.93 4.87 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 1.12 0.00 0.00 0.99 0.00 0.00 122 T 8.68 4.86 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 1.23 0.00 0.00 123 G 8.73 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 0.00 124 A 8.89 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.81 4.68 0.00 2.66 2.68 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 0.00 126 T 7.65 4.03 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 1.14 0.00 0.00 127 E 8.48 4.87 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 128 F 8.30 4.66 0.00 3.01 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 0.00 129 P 0.00 4.31 0.00 2.07 2.14 0.00 3.70 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 2.03 2.07 0.00 130 H 8.23 4.40 0.00 3.31 3.49 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.68 4.81 0.00 3.77 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 0.00 132 K 8.70 3.99 0.00 1.77 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.66 1.43 7.81 133 I 7.59 4.38 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 1.35 0.57 0.92 0.00 0.00 134 A 8.35 4.46 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 0.00 135 G 8.60 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 0.00 0.00 0.00 136 A 8.14 4.21 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.71 4.06 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 1.13 0.00 0.00 138 G 8.10 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 0.00 139 P 0.00 4.29 0.00 2.17 2.11 0.00 3.82 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 2.11 2.17 0.00 140 R 7.94 3.94 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 141 L 8.25 4.01 0.00 1.82 1.71 0.93 1.05 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 0.00 142 A 8.08 3.96 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 0.00 143 R 7.68 4.00 0.00 1.86 2.12 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 K 7.93 4.29 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.54 7.81 145 A 7.52 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.60 0.00 2.19 2.16 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 147 I 7.12 4.71 2.06 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 1.34 0.72 0.98 0.00 0.00 148 S 8.18 4.36 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 0.00 149 V 8.15 4.72 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 0.78 0.00 0.00 1.02 0.00 0.00 150 I 8.78 4.36 1.80 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.17 0.92 0.00 0.00 151 V 8.37 4.60 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 0.81 0.00 0.00 0.90 0.00 0.00 152 V 8.67 4.25 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 0.99 0.00 0.00 0.89 0.00 0.00 153 R 8.32 4.22 0.00 1.77 1.74 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.