NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5868 8.2785 119.2061 53.2694 40.2198 174.8918 0 A 3.6316 9.0310 128.6110 52.9207 19.3800 177.3097 2 N 3.8068 9.2695 112.2665 56.1046 39.7778 174.8235 3 D 4.4253 7.8814 118.4655 57.1706 40.5793 178.8581 4 I 3.7631 7.6773 119.8166 64.3479 37.4176 178.3265 5 V 3.7302 7.7903 118.3795 65.9839 31.2857 177.7763 6 A 4.1552 7.9670 119.1777 54.0853 18.2430 178.5867 7 S 4.6188 7.7224 111.2057 57.5829 63.6421 173.6959 8 T 4.6252 7.2970 119.5821 62.3493 70.3202 174.2917 9 Q 4.1986 8.8945 125.7751 58.0871 29.3299 176.1246 10 L 4.9336 7.4244 114.4868 51.7625 45.3976 174.4449 11 P 4.7242 0.0000 0.0000 62.6369 32.0744 176.2335 12 N 4.6367 8.9176 122.3143 53.7368 39.7735 174.2931 13 T 4.9190 8.6378 112.3253 59.1246 72.7455 174.7975 14 I 3.6063 8.5304 121.4852 64.8268 36.9466 178.7556 15 K 4.0018 7.9393 118.7121 59.5836 32.0354 179.4408 16 T 3.9938 8.3474 110.4089 64.4688 68.7326 176.9975 17 I 3.7027 7.9601 123.1856 64.3944 37.1237 178.0860 18 T 3.8151 7.9406 116.6866 67.0069 68.3614 176.3214 19 N 4.3358 8.1805 118.0138 56.3781 38.5365 177.2939 20 D 4.3671 8.2325 120.3466 57.2038 40.8722 178.8100 21 L 3.9283 8.3861 119.8600 57.9821 41.4383 179.8488 22 R 4.0673 7.8904 116.7154 58.9663 30.0106 178.6511 23 K 4.0221 7.8818 118.7262 59.4821 32.2658 178.2472 24 L 4.1396 7.6597 119.6021 58.3234 42.0042 176.7451 25 G 3.6797 7.3522 105.9089 44.9162 0.0000 173.4370 26 L 3.9264 7.7348 122.4414 54.6294 42.5918 176.3335 27 K 4.6346 7.9676 123.7632 53.6975 35.9842 175.8128 28 K 3.9955 8.0079 120.8925 57.7538 32.4229 175.4138 29 G 3.4661 8.5800 114.8223 45.8945 0.0000 171.1808 *31 T 4.5416 7.5818 117.3889 63.7482 70.7606 173.4343 32 V 5.0152 8.9162 126.0532 60.1322 35.1318 173.9267 33 I 4.6574 8.9195 126.0843 59.8301 39.4203 174.2426 34 V 4.8169 8.5700 129.6609 61.3953 33.8031 174.3677 35 H 5.1171 8.9047 123.8253 54.1809 32.4222 172.6352 36 S 5.0585 8.5197 115.2000 57.3365 66.0062 173.3370 37 S 4.5443 8.2984 116.3244 56.4517 63.3414 173.5896 38 L 4.0733 8.7458 130.1500 58.1323 42.4379 179.0712 39 S 4.1642 8.1305 113.7953 61.4390 62.9501 176.3824 40 S 4.1769 7.9130 117.8144 61.2928 62.5526 176.6193 41 I 3.9041 7.5389 123.7166 61.8658 36.6803 176.6176 42 G 4.1120 7.7653 104.7748 43.7903 0.0000 172.5493 43 W 4.0318 8.9980 128.7870 57.4634 31.2466 174.6763 44 I 4.3199 6.8276 125.7568 58.9668 39.0879 174.6487 45 S 3.5546 8.0162 120.6096 60.6654 61.6983 173.9874 46 G 3.9142 8.5611 116.9330 44.0950 0.0000 173.6948 47 G 3.6845 7.3337 109.1799 45.9787 0.0000 176.7089 48 A 3.9454 8.5010 123.1638 54.8655 18.1173 179.5920 49 V 3.5524 7.5566 116.6806 66.0659 31.5807 178.1602 50 A 3.9248 7.8250 120.2654 55.0035 18.2186 179.7778 51 V 3.4192 7.5612 116.2709 66.1457 31.4662 178.3034 52 V 3.3857 7.4244 116.6834 65.9927 31.4080 177.5892 53 E 3.8756 7.9751 117.1829 58.9754 29.6327 178.8962 54 A 4.1182 7.9591 121.0112 54.8912 18.3905 180.0819 55 L 3.6581 7.5384 114.5880 55.8287 41.6532 178.7884 *57 E 4.2261 8.0882 121.6033 56.2980 31.3864 177.3037 58 V 3.7635 7.7702 118.1095 65.9206 31.9516 178.1078 59 I 3.7195 8.1643 120.9144 62.2223 37.3735 176.6358 60 T 3.9737 8.1382 112.2986 60.4422 68.9660 172.4511 61 E 3.3681 8.6629 119.8215 58.6998 29.4740 178.5598 62 E 4.0117 8.0400 117.7374 58.0495 30.0704 176.7505 63 G 4.2533 7.9540 108.6186 44.5169 0.0000 171.8912 64 T 5.2698 8.2179 114.0182 62.1353 73.1891 173.0944 65 I 5.0397 9.4126 126.7010 59.8010 40.4239 174.8522 66 I 5.8923 8.8255 126.3056 57.7122 41.9166 172.1380 *68 P 3.9898 0.0000 0.0000 62.2983 31.9057 177.1488 69 T 4.7653 7.6704 112.8590 60.8586 67.5422 174.3947 70 Q 4.3263 7.7980 121.3235 56.1520 30.8205 178.1761 71 S 5.0777 8.2926 115.5496 56.9523 62.7461 175.1775 72 S 4.3842 7.8280 116.5969 60.8031 63.5129 176.0276 73 D 4.4176 7.9969 119.5313 54.5272 39.6037 176.4865 74 L 4.6449 8.0944 120.1213 54.9609 42.0799 176.5518 75 S 5.0867 7.7817 114.1815 55.8178 64.6797 173.1494 76 D 4.6047 8.5171 120.2170 53.5630 41.4720 174.9386 77 P 2.0000 0.0000 0.0000 63.2340 31.6752 178.1454 78 K 2.0000 7.1236 119.0356 59.4265 32.0257 177.2848 79 H 4.6895 6.9252 112.2318 55.1075 28.7835 175.2700 80 W 4.6680 7.6542 121.3178 56.7461 29.3795 176.2613 81 S 4.8037 8.8584 115.2636 57.7104 64.3698 173.3240 82 R 4.6874 7.7604 116.8981 53.2399 28.8238 172.4824 83 P 5.0585 0.0000 0.0000 60.0804 33.8960 174.1331 84 P 4.8248 0.0000 0.0000 62.6057 32.1367 175.7669 85 V 4.3516 8.1336 111.4918 58.4177 35.1143 174.1210 86 P 3.9958 0.0000 0.0000 62.4929 31.8722 177.5124 87 E 2.0000 8.1154 122.0181 58.3686 29.1616 178.7861 88 E 4.0169 7.6621 115.8491 58.2081 29.9107 178.1324 89 W 4.5712 8.2722 119.8683 58.0259 29.3476 178.3997 90 W 4.2902 8.0157 120.0112 59.9382 28.4667 178.1725 91 Q 3.8784 8.1052 119.0129 58.9218 28.4892 177.9038 92 I 3.6305 7.7401 120.4960 64.4383 37.2136 178.0845 93 I 3.7057 7.9114 120.5528 64.6819 36.7546 178.7862 94 R 2.9703 7.3824 117.2670 58.8469 29.7445 178.4884 95 D 4.5172 8.0414 117.6411 55.9780 40.9998 176.7656 96 N 5.0013 7.6403 113.7515 52.4742 40.8918 175.3213 97 V 3.8619 7.7173 118.5805 60.8406 31.9947 174.4824 98 P 4.4510 0.0000 0.0000 61.9916 31.9757 176.1316 99 A 4.4899 8.4260 123.3885 51.9285 19.2575 177.0863 100 F 4.2665 8.7795 123.5530 58.4914 40.2547 174.4738 101 E 4.3868 8.3548 125.0777 53.8942 32.1943 174.9491 102 P 3.7851 0.0000 0.0000 65.7291 31.5660 177.6325 103 H 4.3955 8.3925 111.4001 57.3198 28.9489 175.7716 104 I 4.1450 7.0568 119.2922 62.6310 39.0245 176.3673 105 T 3.8904 7.7286 117.7311 62.8913 68.4152 172.7987 106 P 4.5043 0.0000 0.0000 62.2851 32.1878 175.8898 107 T 4.5628 8.3885 111.0619 60.7425 70.2459 174.2205 108 R 4.3491 8.1582 120.9707 55.6089 33.2653 174.1311 109 A 3.4072 8.5295 127.6057 52.9638 15.2686 176.9129 *111 G 3.7751 7.3447 108.6485 43.4898 0.0000 171.3171 112 K 4.0387 8.3923 119.8248 59.0719 31.9355 179.9217 113 V 3.5528 7.6979 118.3565 65.9208 31.5057 178.0574 114 V 3.6556 7.7075 117.4188 66.1619 31.2605 177.5491 115 E 4.0064 7.9389 117.0810 59.6608 29.7286 178.7101 116 C 4.3201 8.2962 118.7111 62.2965 31.6360 175.3805 117 F 4.3510 8.4704 122.7603 61.3194 38.8535 177.2559 118 R 4.0041 8.2706 114.3450 58.1669 29.4355 177.1593 119 T 4.4057 7.0596 106.8719 61.1966 69.5248 174.0336 120 Y 3.9742 7.6771 124.6142 56.7277 39.4290 173.3012 121 P 4.4373 0.0000 0.0000 64.0499 31.8786 176.6479 122 N 4.5607 8.9719 118.2837 53.2110 36.3159 174.3517 123 V 4.1773 7.6168 119.1475 62.4181 32.3217 175.3489 124 V 4.5584 9.0165 127.7286 61.0909 34.3855 174.1014 125 R 5.2823 8.4298 126.0164 54.4097 32.9055 175.0575 126 S 4.7109 9.0344 121.0161 57.9421 63.8758 173.9044 127 N 4.6291 8.8190 117.9657 55.7508 39.0833 174.6407 128 H 4.0183 7.8839 118.2177 55.2889 30.3966 173.2867 129 P 3.2156 0.0000 0.0000 64.0407 32.0310 176.6824 130 L 4.6645 7.8758 117.3585 53.9251 45.2154 177.0691 131 G 4.5694 7.9823 105.6006 45.6425 0.0000 173.4095 132 S 4.9036 8.0985 114.1973 57.9451 65.1129 172.8407 133 F 5.2212 9.3417 117.9872 55.6971 43.1141 173.9417 134 A 5.4418 8.8831 122.0023 50.4790 22.0297 175.4047 135 A 5.4680 9.6326 121.5831 50.3292 23.5262 175.0130 136 W 5.1736 9.8550 129.0149 57.0503 34.6157 173.4383 137 G 2.9620 8.4600 111.1897 43.7687 0.0000 173.2744 138 R 3.6348 8.1927 119.7824 60.0400 30.1481 179.0707 139 H 4.7914 8.1759 112.8914 55.6017 28.4720 176.7882 140 A 4.0356 7.8298 126.0039 55.8079 17.6599 180.5893 141 E 3.9867 8.0560 116.2195 59.3800 29.4868 178.9530 142 E 4.0294 8.1074 118.0998 59.2011 29.7794 178.3843 143 I 3.9743 7.9756 120.2644 63.3284 37.1090 177.2702 144 T 4.5310 7.4080 107.4448 60.6485 69.7537 175.0265 145 V 3.9706 6.9605 121.0339 62.2332 32.6066 175.4497 146 N 4.2019 8.7177 118.0780 54.4267 35.3919 174.4922 147 Q 4.4033 8.3653 118.4404 55.2018 29.8986 175.5943 148 S 4.3117 8.4083 120.0150 57.7774 64.1069 173.9367 149 L 3.6643 8.4047 124.9916 58.4909 41.8996 179.0010 150 S 5.3866 7.7789 116.1003 57.3688 60.7627 173.4991 *152 S 4.4261 8.0363 117.9995 57.4732 64.8396 175.5786 153 L 4.6767 8.0342 118.7498 54.2731 42.2378 176.9933 154 G 4.3186 7.5895 109.8063 44.9685 0.0000 175.2936 155 E 4.0026 8.8366 119.2404 58.3689 30.0110 176.9703 156 E 4.7105 7.9682 119.4697 55.9675 30.4338 174.9570 157 S 4.7232 7.5382 112.1613 54.9578 66.7111 173.0433 158 P 4.3060 0.0000 0.0000 64.9157 30.6472 178.9055 159 L 3.8226 7.3918 117.4692 57.5059 41.3548 179.4295 160 R 3.8252 7.8157 118.5760 59.3708 29.9918 178.7968 161 K 3.9687 7.9077 117.7582 59.2925 32.0200 179.3439 162 I 3.7270 7.6895 120.3923 64.2484 37.0510 177.5730 163 Y 4.2794 7.8728 121.7686 60.3790 38.4294 178.1866 164 D 4.4891 8.4133 118.3590 56.6968 40.9661 177.7490 165 L 4.2557 7.3863 116.7171 53.4469 42.5293 175.6211 166 D 4.0382 7.8511 117.6366 55.0802 39.9588 173.1040 167 G 3.9997 7.7687 105.9860 46.1607 0.0000 172.7328 168 Y 5.0253 9.0997 117.1076 56.1565 41.3762 175.2569 169 I 4.9582 8.3178 121.0295 59.4897 40.7295 174.2445 170 L 4.9488 8.9561 128.8959 53.3207 44.6376 174.7189 171 L 5.0738 8.8600 127.0563 53.2030 44.1177 175.6348 172 I 4.4061 8.6200 125.0984 59.3934 39.5539 175.6911 173 G 4.0765 8.7026 115.6906 45.4539 0.0000 172.2330 174 V 4.4811 7.5769 110.4937 59.4043 36.1473 174.6738 175 G 4.2369 7.9770 109.4824 44.1688 0.0000 173.6237 176 Y 4.0657 8.5313 115.5147 60.6528 37.9568 177.7913 177 D 4.5443 8.2125 117.6814 55.1139 39.6811 176.8353 178 S 4.4563 7.9290 115.1719 58.7175 63.3409 174.5221 179 N 4.4519 8.2541 121.3754 52.3138 37.3544 174.9734 180 T 4.0054 8.2404 121.6025 66.6928 68.8730 175.7843 181 S 4.1234 8.2797 116.1561 61.4234 62.8483 176.5151 182 V 3.4568 7.4623 120.1409 64.7556 31.0442 177.5077 183 A 4.2903 8.0756 121.2881 55.5656 18.0679 179.2549 184 L 3.8872 7.7608 118.2832 58.2825 41.9401 179.4618 185 S 4.1517 7.8726 115.2073 61.5399 62.7753 176.3832 186 E 3.3522 8.1156 120.7950 59.1523 29.1140 179.4452 187 V 3.5799 7.8425 118.0977 66.2839 31.4650 178.4441 188 R 3.9320 7.8826 116.4664 58.7595 29.9425 178.5752 189 S 4.4378 8.0144 112.9288 58.1992 63.6253 174.3053 190 G 3.7308 7.4962 110.1158 46.8316 0.0000 174.0023 191 A 4.3985 7.7556 120.8915 51.7914 19.5369 177.6671 192 C 4.7877 7.3623 112.9042 57.2723 30.9974 173.3869 193 E 4.1216 8.3723 121.9471 56.2520 29.9627 175.7833 194 L 4.9740 8.0620 122.8549 53.2008 44.0110 175.8008 195 I 4.6397 8.5942 114.7923 59.0587 41.6877 173.8444 196 K 4.6755 8.5378 124.7928 55.6398 32.8968 175.9140 197 V 4.4118 8.6031 120.5698 59.4538 35.6887 174.5167 198 G 4.1295 7.9193 106.7491 45.2758 0.0000 171.1492 199 A 4.1730 7.7289 119.9760 50.7326 23.5258 173.4695 200 P 5.2248 0.0000 0.0000 61.7276 33.3556 174.9880 201 I 4.8028 8.7130 117.1228 59.0747 41.6695 174.3776 202 I 4.7208 8.3763 122.8044 60.0503 37.7810 175.1416 203 E 4.6070 9.1017 127.5725 55.7672 31.5313 176.4075 204 N 4.2653 10.1220 118.9424 54.0881 36.3781 175.3928 205 G 4.0169 8.6998 105.0760 44.9925 0.0000 173.6879 206 E 4.8017 8.3033 119.4683 54.0730 33.1940 175.3361 207 R 4.5629 8.6684 123.8137 56.4030 30.8298 175.5577 208 V 4.5534 8.8645 127.0149 60.7249 34.5641 174.0423 209 W 4.8165 8.9725 135.0000 56.7976 31.4722 174.9317 210 K 4.6516 8.5681 128.7626 54.6191 34.5226 174.3160 211 E 5.1356 8.5409 125.5577 54.9783 32.1042 174.8901 212 F 4.7853 8.4364 117.4275 56.6130 42.2284 172.2508 213 V 4.8591 8.6047 118.5594 60.2701 33.8266 172.1933 214 D 4.6777 8.7928 127.9767 54.0959 43.9498 176.7491 *216 D 4.1602 8.9072 109.3119 53.8872 40.7146 171.8697 217 Y 4.2004 7.6817 119.1193 57.2952 38.8298 175.0534 218 D 4.7540 8.1987 124.4553 52.2660 42.5293 176.5398 219 S 2.7900 8.1839 122.4289 60.0906 63.2227 175.7750 220 D 4.3883 8.1035 125.0525 57.5002 40.5137 178.3093 221 K 4.2510 7.9333 122.3617 58.0544 31.9545 182.5801 222 F 4.5375 8.3281 117.8053 61.1504 38.7503 177.5816 223 V 3.6504 7.4795 117.6936 66.0479 31.3394 177.4784 224 E 3.8538 8.1042 118.2712 59.4748 29.4191 178.5289 225 I 3.0738 6.8514 119.5022 64.0622 37.0724 178.5560 226 G 2.1793 7.7509 106.4483 47.2288 0.0000 175.4365 227 V 3.4940 7.3752 121.3617 66.0219 31.2224 178.0748 228 E 4.0773 7.8661 116.4388 59.2126 29.1985 178.6791 229 F 3.2541 8.5823 121.1199 61.0735 39.0809 177.0996 230 E 3.7555 7.8432 117.3121 59.0365 29.2401 178.9610 231 Q 4.0861 7.2636 116.6247 58.0602 30.2183 177.9275 232 K 4.2080 6.7501 119.8422 52.6391 32.2248 175.8355 233 G 3.9680 8.3286 111.7077 44.4474 0.0000 174.6886 234 T 4.3396 8.3594 113.0517 59.0106 69.2400 172.0768 235 V 4.4387 7.7760 126.7482 61.9333 34.4311 174.9613 236 T 4.2091 8.6563 125.1143 62.9178 70.5987 173.7710 *238 G 4.0481 8.2921 109.2506 46.5045 0.0000 171.7439 239 K 5.5862 8.3469 117.7059 53.9492 34.1419 176.8337 240 I 4.4178 7.9332 122.7112 60.1031 39.2467 176.1324 241 G 3.7070 8.1680 117.7523 47.2178 0.0000 173.9508 242 N 4.5662 9.5490 122.5033 53.3431 38.9618 174.5913 243 A 4.3685 7.9462 122.2971 51.0427 20.4345 176.6088 244 K 4.5147 8.5988 123.8833 56.1357 33.3903 175.4247 245 C 5.4812 8.9580 124.8375 58.1317 31.8324 173.6395 246 R 4.9944 8.7438 118.4512 54.6763 34.5186 174.1478 247 L 5.5076 8.4360 122.7141 52.2555 46.3635 175.4512 *249 K 3.9957 8.4647 122.7393 56.0114 33.4466 176.8317 250 Q 3.9154 8.7465 124.8276 59.2640 28.8870 178.7601 251 R 3.6842 7.6577 118.6146 59.1530 30.0826 178.5574 252 D 4.3750 7.8788 118.0674 57.4905 40.8879 178.6005 253 I 2.6346 7.2793 118.5661 63.5245 37.8042 178.0419 254 V 3.7145 8.0529 120.8373 65.7447 31.2982 177.7674 255 D 4.4442 8.4532 118.7640 57.3861 40.5266 178.6732 256 F 4.3523 8.5141 121.4548 61.0626 39.4221 177.6160 257 G 3.4381 8.4726 105.8534 47.8391 0.0000 175.6388 258 T 4.0166 8.0008 117.6582 66.5558 68.9677 175.6668 259 E 4.0018 7.8428 120.8407 59.2692 29.4298 178.3562 260 W 3.9056 7.7623 127.3393 60.8795 30.6625 177.6669 261 F 4.5344 8.2380 116.4056 60.3099 38.4582 177.4532 262 R 4.0980 7.8070 116.7379 59.2742 30.0380 176.8207 263 K 3.9994 7.9322 120.3249 56.8323 32.0183 176.2219 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 N 8.28 4.59 0.00 2.74 2.77 0.00 0.00 6.91 7.85 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 A 9.03 3.63 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 2 N 9.27 3.81 0.00 3.09 2.99 0.00 0.00 7.08 8.08 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 3 D 7.88 4.43 0.00 2.88 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 4 I 7.68 3.76 1.98 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 1.46 0.51 1.09 0.00 0.00 5 V 7.79 3.73 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 0.87 0.00 0.00 0.68 0.00 0.00 6 A 7.97 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 7 S 7.72 4.62 0.00 4.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.30 4.63 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 9 Q 8.89 4.20 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 10 L 7.42 4.93 0.00 1.61 1.56 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.72 0.00 2.12 2.49 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 12 N 8.92 4.64 0.00 2.70 2.68 0.00 0.00 6.18 7.45 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 13 T 8.64 4.92 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 14 I 8.53 3.61 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 1.75 0.50 0.88 0.00 0.00 15 K 7.94 4.00 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.06 7.81 16 T 8.35 3.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 17 I 7.96 3.70 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.84 0.00 0.00 18 T 7.94 3.82 4.43 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 1.19 0.00 0.00 19 N 8.18 4.34 0.00 2.92 2.85 0.00 0.00 7.10 7.61 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 20 D 8.23 4.37 0.00 2.80 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 21 L 8.39 3.93 0.00 1.77 1.66 0.85 0.88 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 22 R 7.89 4.07 0.00 1.75 1.97 0.00 3.15 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 23 K 7.88 4.02 0.00 1.98 1.82 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.43 7.81 24 L 7.66 4.14 0.00 1.78 1.83 0.90 1.18 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 25 G 7.35 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 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.52 5.06 0.00 3.77 3.71 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 37 S 8.30 4.54 0.00 3.87 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 38 L 8.75 4.07 0.00 1.72 1.61 0.83 0.88 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 39 S 8.13 4.16 0.00 4.10 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 40 S 7.91 4.18 0.00 4.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.54 3.90 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.86 0.00 0.00 42 G 7.77 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 43 W 9.00 4.03 0.00 3.44 3.25 0.00 0.00 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 0.00 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 0.00 181 S 8.28 4.12 0.00 3.98 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 0.00 182 V 7.46 3.46 0.67 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 0.46 0.00 0.00 0.69 0.00 0.00 183 A 8.08 4.29 1.11 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 0.00 184 L 7.76 3.89 0.00 1.72 1.73 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 185 S 7.87 4.15 0.00 4.16 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 0.00 186 E 8.12 3.35 0.00 2.32 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 0.00 2.00 2.67 0.00 187 V 7.84 3.58 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 1.04 0.00 0.00 1.17 0.00 0.00 188 R 7.88 3.93 0.00 1.80 1.94 0.00 3.05 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 189 S 8.01 4.44 0.00 4.15 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 G 7.50 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 7.76 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 C 7.36 4.79 0.00 2.87 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 0.00 193 E 8.37 4.12 0.00 1.88 1.77 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 2.23 2.29 0.00 194 L 8.06 4.97 0.00 1.50 1.50 0.89 0.68 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 0.00 195 I 8.59 4.64 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.79 0.76 0.00 0.00 196 K 8.54 4.68 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.43 7.81 197 V 8.60 4.41 1.67 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 0.58 0.00 0.00 0.12 0.00 0.00 198 G 7.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 A 7.73 4.17 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 5.22 0.00 2.29 2.56 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 201 I 8.71 4.80 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.14 0.81 0.00 0.00 202 I 8.38 4.72 1.92 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 1.40 0.93 0.94 0.00 0.00 203 E 9.10 4.61 0.00 2.00 1.83 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 2.22 2.24 0.00 204 N 10.12 4.27 0.00 2.83 2.87 0.00 0.00 7.24 7.65 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 0.00 205 G 8.70 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.30 4.80 0.00 1.92 1.84 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 2.22 2.37 0.00 207 R 8.67 4.56 0.00 1.88 1.91 0.00 3.25 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 208 V 8.86 4.55 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 1.03 0.00 0.00 1.03 0.00 0.00 209 W 8.97 4.82 0.00 3.56 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 0.00 210 K 8.57 4.65 0.00 1.73 1.57 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.44 7.81 211 E 8.54 5.14 0.00 1.92 1.83 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 2.29 2.41 0.00 212 F 8.44 4.79 0.00 3.04 3.03 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 0.00 213 V 8.60 4.86 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 0.91 0.00 0.00 0.94 0.00 0.00 214 D 8.79 4.68 0.00 2.80 1.61 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 *216 D 8.91 4.16 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.68 4.20 0.00 3.04 3.03 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 0.00 218 D 8.20 4.75 0.00 2.52 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 0.00 219 S 8.18 2.79 0.00 3.88 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 0.00 220 D 8.10 4.39 0.00 2.95 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 0.00 221 K 7.93 4.25 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.09 7.81 222 F 8.33 4.54 0.00 3.19 3.22 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 0.00 223 V 7.48 3.65 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 1.04 0.00 0.00 1.00 0.00 0.00 224 E 8.10 3.85 0.00 2.05 1.79 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 2.49 2.47 0.00 225 I 6.85 3.07 1.58 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 226 G 7.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.38 3.49 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 1.02 0.00 0.00 0.91 0.00 0.00 228 E 7.87 4.08 0.00 2.23 2.39 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 2.48 2.45 0.00 229 F 8.58 3.25 0.00 2.63 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 0.00 230 E 7.84 3.76 0.00 2.06 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 2.38 2.54 0.00 231 Q 7.26 4.09 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.35 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 232 K 6.75 4.21 0.00 1.38 1.65 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.46 7.81 233 G 8.33 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 0.00 0.00 0.00 234 T 8.36 4.34 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 1.17 0.00 0.00 235 V 7.78 4.44 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 0.94 0.00 0.00 1.03 0.00 0.00 236 T 8.66 4.21 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 1.28 0.00 0.00 *238 G 8.29 4.05 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 0.00 0.00 0.00 239 K 8.35 5.59 0.00 1.73 1.88 0.00 1.74 0.00 0.00 2.36 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 240 I 7.93 4.42 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.87 0.00 0.00 241 G 8.17 3.71 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 0.00 0.00 0.00 242 N 9.55 4.57 0.00 2.84 2.87 0.00 0.00 6.89 7.36 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 0.00 243 A 7.95 4.37 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 0.00 244 K 8.60 4.51 0.00 1.85 1.68 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 245 C 8.96 5.48 0.00 2.92 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 0.00 246 R 8.74 4.99 0.00 1.60 1.73 0.00 2.89 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 247 L 8.44 5.51 0.00 1.73 1.45 0.98 0.29 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 *249 K 8.46 4.00 0.00 1.79 1.47 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 1.36 7.81 250 Q 8.75 3.92 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 251 R 7.66 3.68 0.00 1.58 1.61 0.00 2.92 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 252 D 7.88 4.37 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 I 7.28 2.63 1.19 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.21 0.84 0.00 0.00 254 V 8.05 3.71 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.08 0.00 0.00 255 D 8.45 4.44 0.00 2.88 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 0.00 256 F 8.51 4.35 0.00 3.33 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 0.00 257 G 8.47 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 T 8.00 4.02 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 1.24 0.00 0.00 259 E 7.84 4.00 0.00 2.02 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 2.28 2.28 0.00 260 W 7.76 3.91 0.00 2.69 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 0.00 261 F 8.24 4.53 0.00 3.38 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 R 7.81 4.10 0.00 1.96 1.99 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 263 K 7.93 4.00 0.00 1.48 1.50 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.