NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.6558 8.3349 115.5587 58.2499 63.2924 172.7849 5 V 3.9355 8.0397 121.8954 59.6352 33.1796 174.0229 6 P 4.9983 0.0000 0.0000 62.4279 33.5476 174.6010 7 A 5.2154 9.0573 122.3170 50.5550 23.5036 175.3287 8 I 4.6820 8.3955 120.4229 59.5368 38.9412 175.4236 9 F 4.9098 9.2529 127.3339 57.1897 39.9452 175.5145 10 L 4.8344 9.3782 122.7383 52.6871 44.7211 175.8798 11 D 4.5720 9.2383 124.7690 54.8775 41.7288 174.7665 12 R 4.2904 8.8230 121.8259 57.9343 31.3886 175.3483 13 D 4.7819 7.2342 118.2231 55.5117 41.3463 177.0623 14 G 4.0290 9.7330 114.1640 45.4554 0.0000 173.7273 15 T 4.4465 7.7934 113.6386 64.7167 71.5514 175.6207 16 I 4.2127 8.5524 121.5328 62.1055 38.3606 175.2267 17 N 5.0796 7.4655 116.4872 50.1712 40.2055 174.1609 18 V 3.5079 8.0253 122.1334 63.4598 32.2257 174.9836 19 D 4.4367 8.5905 127.7807 54.5374 40.9039 175.3258 20 H 4.5413 8.8980 122.9534 55.2451 29.8533 175.7391 21 G 3.6503 8.1282 108.0177 46.9444 0.0000 173.4535 22 Y 3.9945 8.0964 125.4231 58.5474 35.5981 172.1754 23 V 3.6760 7.7064 118.1083 63.5112 32.2737 175.2245 24 H 4.4801 8.2201 118.1808 55.4478 31.8211 172.7605 25 E 4.5249 7.5195 120.6125 54.2617 32.1173 176.6127 26 I 2.8653 8.1395 124.1496 64.2816 37.1489 178.0172 27 D 4.3191 7.7917 117.5535 55.2820 39.3070 176.1392 28 N 4.5265 7.7591 116.7455 53.0894 39.3718 173.8947 29 F 4.1174 7.6601 120.3554 57.6467 39.5176 174.4736 30 E 4.6723 7.9083 129.7838 53.9982 31.7508 174.7906 31 F 4.7001 9.0725 126.0926 57.7747 39.9998 175.6568 32 I 4.0155 8.8537 124.2604 60.9173 38.2785 175.5875 33 D 4.5234 8.7560 125.7562 56.2438 41.2364 177.4968 34 G 4.0131 8.9935 111.0212 45.7460 0.0000 175.7570 35 V 3.6826 7.6328 112.8612 64.4005 31.9461 177.8755 36 I 3.7634 7.8351 119.3364 64.5836 37.3960 176.8196 37 D 4.4529 8.3421 119.4104 57.5978 40.7723 179.9631 38 A 4.2433 7.9603 120.3445 52.3817 17.8094 179.2285 *40 R 4.1765 8.1180 121.7918 57.9774 31.9728 177.2697 41 E 3.8997 8.3959 117.6219 59.3206 30.2508 177.4858 42 L 4.1887 8.3293 119.2836 57.9687 41.9838 179.4861 43 K 4.1827 8.2475 116.8138 58.8224 32.1496 179.9858 44 K 4.1262 7.6361 120.7758 55.9093 30.8313 177.2010 *46 G 3.7523 8.0360 102.9239 44.8767 0.0000 172.7743 47 F 4.7479 7.9468 118.3192 56.0404 40.5874 175.5336 48 A 4.5400 8.8695 124.8998 51.8482 19.9635 176.1768 49 L 5.0457 9.6470 120.3483 52.8871 45.1478 175.9659 50 V 4.8564 8.4881 123.0344 61.1239 34.8197 174.3850 51 V 4.4896 8.8197 129.0588 62.8275 32.8612 175.3162 52 V 5.0697 9.3665 121.0553 59.9714 34.2416 174.3554 53 T 4.7344 8.8224 120.4085 59.8225 70.2818 172.7402 54 N 4.7665 9.0061 126.5417 53.0723 39.5228 175.7060 55 Q 4.7284 9.1615 121.9827 53.9091 29.4463 176.4124 56 S 4.3509 8.0595 115.1079 60.6825 63.6610 176.3922 57 G 3.5059 8.4679 109.5471 48.0070 0.0000 175.4860 58 I 3.4464 7.2174 122.1927 63.4225 37.1736 177.9627 59 A 4.2285 7.3996 119.3770 54.1351 18.0770 179.1152 60 R 3.9138 7.4842 116.4743 57.1352 30.3675 177.2766 61 G 3.8859 7.4986 105.6319 44.9006 0.0000 175.3305 62 K 3.7694 7.0194 119.1444 59.1335 32.1599 176.4279 63 F 4.6858 6.7651 109.3426 56.3947 40.8946 172.6281 64 T 4.6315 8.1988 110.3330 59.5135 70.7403 175.2141 65 E 3.7989 8.7069 123.1678 58.8520 30.0087 178.5958 66 A 4.5850 7.8886 120.0811 53.5489 19.8156 179.3463 67 Q 4.0283 8.4597 115.7193 58.8224 28.7113 178.2248 68 F 4.0156 8.6401 121.9970 61.4508 38.9076 176.7019 69 E 3.7452 8.4135 118.1352 59.9594 29.4521 179.6573 70 T 3.8757 7.9518 115.2964 66.5490 68.2891 176.4561 71 L 3.8066 7.7447 121.1319 58.4582 42.1985 178.7949 72 T 3.7549 7.5461 114.8036 66.3986 68.4632 176.2492 73 E 4.1257 8.2708 120.6138 59.0637 29.4308 179.6455 74 W 4.4233 7.8610 124.7780 58.4643 30.8535 176.7713 *76 D 4.3989 7.9855 117.4369 53.6886 42.5402 177.4539 77 W 4.2058 8.1342 118.8830 59.9381 28.7296 178.6380 78 S 3.9201 7.7220 114.0102 61.4207 62.3977 176.6098 79 L 3.9356 7.6515 120.7622 57.7408 41.4791 179.1111 80 A 4.1938 8.2487 122.4184 54.6209 18.1174 178.8027 81 D 4.5170 8.5020 114.6142 55.9378 41.2694 176.8159 82 R 4.4369 7.6715 117.0899 56.2084 30.4661 175.3865 83 D 4.3397 8.1284 115.9551 55.4631 38.5458 174.0454 84 V 4.0600 7.6266 119.1404 61.2087 32.5147 173.8439 85 D 4.8892 8.3862 127.9663 52.0478 41.4760 175.6078 86 L 4.2174 8.2063 127.3369 54.9259 42.2320 177.3678 87 D 4.6304 8.9645 123.4945 56.6113 41.7381 176.9107 88 G 4.4303 7.8221 103.2188 45.2879 0.0000 172.6189 89 I 5.1897 8.3065 122.6887 59.7251 40.2585 174.2663 90 Y 4.9104 9.6447 125.8846 56.3081 40.6861 174.7785 91 Y 5.3216 8.4115 119.8781 55.6759 42.1763 173.8560 92 C 4.6019 8.8423 119.7917 57.1317 34.2835 172.0533 93 P 5.1398 0.0000 0.0000 62.6924 32.1821 175.1494 94 H 5.2833 7.7883 117.3033 55.8188 30.8024 174.0715 95 H 4.6323 8.7426 118.0527 54.8161 33.0185 172.8793 96 P 4.3562 0.0000 0.0000 64.5899 31.3482 177.0126 97 Q 4.5850 8.2522 114.5597 55.2711 28.9757 175.7039 98 G 3.8370 8.1261 107.8782 46.4042 0.0000 174.6104 99 S 4.2225 8.6041 118.0496 59.1163 63.4776 174.5246 100 V 4.1538 7.4636 120.8793 60.7820 31.8993 175.1481 101 E 3.8873 9.0009 129.2936 59.3861 29.2986 178.9782 102 E 4.0146 7.9483 113.8282 58.1971 29.7228 176.9322 103 F 4.9824 8.1030 117.1873 57.0866 41.1406 174.8613 104 R 4.6996 8.5502 121.3915 56.6905 29.6973 175.4609 105 Q 4.6310 8.0706 124.2826 56.0186 30.9204 173.3768 106 V 3.9732 8.4088 120.1364 62.8047 32.4462 174.5964 107 C 4.6003 8.0160 118.2096 57.6550 32.3700 173.1489 108 D 4.6209 8.4716 116.1215 53.1229 39.4211 177.0428 109 C 4.1442 7.9470 115.0313 59.9143 30.5928 173.5506 110 R 4.2152 7.8726 121.2066 55.4067 29.3589 175.5531 111 K 4.7088 8.7040 125.2601 55.6813 32.4063 175.5857 112 P 4.7034 0.0000 0.0000 63.5439 31.4890 175.7356 113 H 4.3617 8.2367 118.0329 55.6652 29.3021 173.9409 114 P 4.6316 0.0000 0.0000 62.8151 31.6937 177.4741 115 G 3.5730 8.0531 108.7527 47.5490 0.0000 175.3049 *117 L 3.8268 7.9494 120.9985 54.3508 43.6549 179.2594 118 L 3.9538 7.6772 118.3856 57.4072 41.4266 179.4542 119 S 4.0312 7.9016 112.8330 61.4246 62.5562 175.7738 120 A 4.0624 7.4645 124.2488 54.4353 18.0435 179.2256 121 R 3.9414 8.0784 116.9274 60.0017 29.9471 178.5835 122 D 4.4384 8.1409 117.1923 57.3393 40.9581 177.6358 123 Y 4.5063 8.2489 118.3873 58.7996 39.0556 175.5959 124 L 4.2887 7.4515 116.0507 53.5515 43.8789 175.5632 125 H 4.0383 7.9388 118.0221 56.9768 28.1247 173.1839 126 I 4.5012 7.2390 119.7825 59.6552 38.5099 176.0486 127 D 4.3942 9.0263 124.8779 53.9603 41.4684 176.5507 *129 A 4.1982 8.3248 123.1883 51.6429 20.2655 177.8199 130 A 4.5798 7.7268 115.6823 52.0338 19.4481 176.5124 131 S 5.1123 7.2694 111.5207 58.3727 66.2855 172.0802 132 Y 5.4363 8.3773 116.9956 55.8096 42.0495 174.4114 *134 V 4.3751 8.3857 120.4135 64.0546 33.2507 176.1585 135 G 4.5396 8.9043 114.3343 45.3473 0.0000 172.2460 136 D 5.0260 8.7514 117.1828 52.7497 40.1695 176.0036 137 K 4.6983 8.0772 119.3554 54.1354 35.7091 176.6920 138 L 3.9493 8.7261 122.4400 58.5254 42.0936 178.4342 139 E 4.0724 8.2640 117.2915 59.6124 29.7170 178.5897 140 D 4.7515 7.8732 116.6026 55.1415 40.5972 178.0630 *142 Q 4.1625 8.2370 120.3024 56.0288 31.0466 177.4129 143 A 4.1413 8.4614 120.6652 54.5018 18.3438 179.4107 144 A 3.7722 7.9670 119.1491 55.2625 18.5432 179.7912 145 V 3.4414 7.7763 115.9072 66.1995 31.3123 177.8595 146 A 3.9432 7.7249 118.5323 55.0872 18.3955 178.8602 147 A 4.0594 7.5288 115.1877 51.9699 18.4667 176.9561 148 N 4.0869 7.7545 114.5258 54.1424 37.9602 174.2288 149 V 3.6365 7.6336 116.6411 62.1936 31.9810 175.9095 150 G 3.6875 8.7651 116.2034 47.6967 0.0000 173.3115 151 T 4.2820 7.4467 117.7592 61.0704 71.6106 173.3248 152 K 4.5480 9.0291 127.2604 54.7116 34.3364 175.7052 153 V 4.7208 8.2399 125.6672 60.9923 33.7487 174.2025 154 L 5.0093 8.9553 130.9824 54.6233 43.5307 175.7647 155 V 5.5290 8.2989 116.9896 58.7183 35.1784 175.6392 156 R 4.6331 8.1426 120.8354 56.4536 30.3858 177.3660 157 T 4.4453 8.0827 108.3481 61.8991 70.6388 174.8048 158 G 4.1085 7.1763 110.7577 44.9816 0.0000 176.2572 159 K 3.9319 9.4348 125.9870 55.2681 32.2974 174.3677 160 P 4.3183 0.0000 0.0000 62.5347 31.7964 176.1326 161 I 3.9199 8.2186 117.0796 60.8154 38.5101 176.4775 162 T 4.3604 8.2111 114.7026 60.5734 71.4084 174.1826 163 P 4.2958 0.0000 0.0000 65.3915 31.4611 179.0493 164 E 3.9125 8.1402 117.2069 59.2619 29.2737 178.7574 165 A 3.9900 7.9597 119.7722 55.3536 18.5652 179.0493 166 E 4.0449 8.4131 117.7391 59.2151 29.4510 178.4841 167 N 4.3074 8.4685 116.1416 56.5353 38.8042 176.8313 168 A 4.1559 7.8040 119.1921 52.9951 18.8776 177.5381 169 A 4.3981 6.7973 119.8905 51.7893 20.0081 177.0619 170 D 4.7289 8.8434 120.1204 56.0976 41.7409 177.3227 171 W 5.1477 8.0713 116.9470 54.7904 32.9082 174.9137 172 V 4.8256 8.5331 121.7278 61.4079 33.2106 174.5716 173 L 4.8601 8.9022 128.0777 52.7905 44.4672 177.4780 174 N 4.4102 8.8664 118.6236 56.6376 39.6660 175.0107 175 S 4.4873 7.8937 108.7883 55.8890 66.1285 175.8723 176 L 3.9013 8.5144 126.2352 58.5095 41.3229 179.2254 177 A 4.0283 8.0889 119.8152 54.8460 18.5431 178.5801 178 D 4.5163 8.2921 116.6665 55.7399 41.0566 178.4567 179 L 4.0063 7.8882 121.8987 57.5748 42.0677 176.9304 180 P 4.1735 0.0000 0.0000 65.5541 31.2268 178.0880 181 Q 3.8810 8.0765 117.4472 59.2056 28.7954 177.8176 182 A 3.7901 7.5994 120.2585 55.3664 18.4315 179.3205 183 I 4.1192 7.7481 116.6529 64.7639 37.3177 178.5889 184 K 4.1724 7.9531 118.0691 58.5728 32.7401 178.3072 185 K 4.2604 7.7456 119.6033 57.0176 31.3498 176.6608 186 Q 3.8268 7.9943 123.9356 57.6114 30.0753 172.5936 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 S 8.33 4.66 0.00 3.88 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 5 V 8.04 3.94 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 0.67 0.00 0.00 0.96 0.00 0.00 6 P 0.00 5.00 0.00 2.08 2.18 0.00 3.42 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 1.82 2.01 0.00 7 A 9.06 5.22 0.75 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 8 I 8.40 4.68 1.76 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.80 0.00 0.00 9 F 9.25 4.91 0.00 3.00 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 10 L 9.38 4.83 0.00 1.69 1.62 0.97 0.86 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 11 D 9.24 4.57 0.00 2.70 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 12 R 8.82 4.29 0.00 2.04 1.90 0.00 3.52 0.00 0.00 3.58 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 13 D 7.23 4.78 0.00 2.71 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 14 G 9.73 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 15 T 7.79 4.45 4.40 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 1.26 0.00 0.00 16 I 8.55 4.21 1.99 0.00 0.00 1.00 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 0.81 1.24 0.00 0.00 17 N 7.47 5.08 0.00 1.44 1.53 0.00 0.00 5.85 7.68 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 18 V 8.03 3.51 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 0.50 0.00 0.00 0.86 0.00 0.00 19 D 8.59 4.44 0.00 2.73 2.51 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 0.00 0.00 0.00 0.00 20 H 8.90 4.54 0.00 3.14 3.25 0.00 5.71 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 21 G 8.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.10 3.99 0.00 3.29 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.71 3.68 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 0.85 0.00 0.00 0.87 0.00 0.00 24 H 8.22 4.48 0.00 2.40 1.55 0.00 5.53 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 25 E 7.52 4.52 0.00 1.78 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 1.87 2.07 0.00 26 I 8.14 2.87 1.41 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.28 -0.17 0.00 0.00 27 D 7.79 4.32 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.76 4.53 0.00 2.59 2.82 0.00 0.00 7.06 6.64 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 29 F 7.66 4.12 0.00 2.79 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 30 E 7.91 4.67 0.00 2.03 1.71 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 2.32 2.35 0.00 31 F 9.07 4.70 0.00 3.08 3.01 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 0.00 0.00 0.00 32 I 8.85 4.02 1.93 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 1.21 1.10 0.94 0.00 0.00 33 D 8.76 4.52 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.99 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.63 3.68 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 0.81 0.00 0.00 1.20 0.00 0.00 36 I 7.84 3.76 1.68 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.10 0.71 0.00 0.00 37 D 8.34 4.45 0.00 2.83 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 38 A 7.96 4.24 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 *40 R 8.12 4.18 0.00 1.84 2.09 0.00 3.16 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 41 E 8.40 3.90 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 42 L 8.33 4.19 0.00 1.72 1.69 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.25 4.18 0.00 1.72 2.00 0.00 1.71 0.00 0.00 2.30 0.00 0.00 3.22 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 44 K 7.64 4.13 0.00 1.78 1.95 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.39 7.81 *46 G 8.04 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 47 F 7.95 4.75 0.00 3.14 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 48 A 8.87 4.54 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 49 L 9.65 5.05 0.00 1.55 1.56 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.49 4.86 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 1.25 0.00 0.00 0.89 0.00 0.00 51 V 8.82 4.49 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 1.00 0.00 0.00 1.06 0.00 0.00 52 V 9.37 5.07 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 0.86 0.00 0.00 1.06 0.00 0.00 53 T 8.82 4.73 4.42 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 1.60 0.00 0.00 54 N 9.01 4.77 0.00 2.70 2.80 0.00 0.00 6.88 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 55 Q 9.16 4.73 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 2.27 1.76 0.00 56 S 8.06 4.35 0.00 4.17 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 0.00 57 G 8.47 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.22 3.45 1.61 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 1.15 1.63 0.03 0.00 0.00 59 A 7.40 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 *129 A 8.32 4.20 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 0.00 130 A 7.73 4.58 1.32 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 0.00 0.00 0.00 131 S 7.27 5.11 0.00 3.99 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 0.00 132 Y 8.38 5.44 0.00 2.64 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 *134 V 8.39 4.38 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 1.07 0.00 0.00 0.95 0.00 0.00 135 G 8.90 4.54 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 0.00 0.00 0.00 136 D 8.75 5.03 0.00 2.75 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 0.00 137 K 8.08 4.70 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.33 7.81 138 L 8.73 3.95 0.00 1.57 1.71 0.95 0.92 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 0.00 139 E 8.26 4.07 0.00 2.03 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 0.00 2.40 2.29 0.00 140 D 7.87 4.75 0.00 2.83 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 *142 Q 8.24 4.16 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 143 A 8.46 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.97 3.77 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.78 3.44 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 1.00 0.00 0.00 0.89 0.00 0.00 146 A 7.72 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.53 4.06 1.13 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 0.00 148 N 7.75 4.09 0.00 2.84 2.87 0.00 0.00 7.05 7.40 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 0.00 149 V 7.63 3.64 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.74 0.00 0.00 150 G 8.77 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 0.00 151 T 7.45 4.28 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 -0.04 0.00 0.00 152 K 9.03 4.55 0.00 1.68 1.67 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.24 7.81 153 V 8.24 4.72 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 1.17 0.00 0.00 0.86 0.00 0.00 154 L 8.96 5.01 0.00 1.85 1.56 1.05 1.14 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 0.00 155 V 8.30 5.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.01 0.00 0.00 156 R 8.14 4.63 0.00 1.79 1.94 0.00 3.32 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 157 T 8.08 4.45 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 1.26 0.00 0.00 158 G 7.18 4.11 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 0.00 0.00 0.00 159 K 9.43 3.93 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 160 P 0.00 4.32 0.00 2.07 1.98 0.00 3.72 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 2.02 2.07 0.00 161 I 8.22 3.92 1.88 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 1.48 0.53 0.92 0.00 0.00 162 T 8.21 4.36 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 0.00 163 P 0.00 4.30 0.00 2.18 2.14 0.00 3.60 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 0.00 164 E 8.14 3.91 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 165 A 7.96 3.99 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 0.00 166 E 8.41 4.04 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 167 N 8.47 4.31 0.00 2.86 2.89 0.00 0.00 7.03 8.00 0.00 0.00 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 A 7.80 4.16 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 0.00 169 A 6.80 4.40 1.32 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 0.00 0.00 0.00 170 D 8.84 4.73 0.00 2.45 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 0.00 171 W 8.07 5.15 0.00 3.27 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 0.00 172 V 8.53 4.83 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 0.86 0.00 0.00 0.99 0.00 0.00 173 L 8.90 4.86 0.00 1.67 1.56 1.10 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 174 N 8.87 4.41 0.00 2.85 2.88 0.00 0.00 6.39 7.92 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 0.00 175 S 7.89 4.49 0.00 3.91 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 0.00 176 L 8.51 3.90 0.00 1.82 1.70 0.91 1.00 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 0.00 177 A 8.09 4.03 1.36 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 0.00 178 D 8.29 4.52 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 0.00 179 L 7.89 4.01 0.00 1.76 1.69 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.17 0.00 2.18 2.08 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 181 Q 8.08 3.88 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 182 A 7.60 3.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 I 7.75 4.12 2.02 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 1.11 0.00 0.00 184 K 7.95 4.17 0.00 2.01 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.50 7.81 185 K 7.75 4.26 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.66 1.35 7.81 186 Q 7.99 3.83 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.