NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7596 8.3549 109.7372 45.2422 0.0000 173.7356 *2 I 3.8914 7.5394 120.2067 60.3298 38.0734 173.3836 3 P 4.5307 0.0000 0.0000 62.3222 31.9451 173.9611 4 I 4.1960 7.6832 119.0137 62.0671 40.2021 175.7956 5 V 3.8278 7.7887 122.6295 62.2554 33.0920 176.1392 6 D 4.3920 8.7698 125.7206 54.8560 42.3182 177.2685 7 S 4.1764 8.9170 121.6302 62.1770 62.7514 177.1752 8 R 3.9521 8.1178 120.7681 58.9786 29.8291 178.9172 9 I 3.9612 7.6987 119.4448 64.0829 37.2611 178.4246 10 G 3.6347 8.8019 106.7856 47.8673 0.0000 175.5605 11 A 4.0570 8.2728 123.6658 54.8713 18.1402 179.1535 12 Y 4.0264 7.7301 116.6149 60.9557 39.3450 177.9067 13 L 3.9578 8.2928 120.0890 57.8476 41.6120 179.3064 14 D 4.4679 8.3151 119.1047 57.1557 40.5310 178.9638 15 G 3.5438 7.8347 105.2519 47.1548 0.0000 175.0202 16 L 4.1286 7.1857 118.9620 55.0394 42.2761 177.3749 17 L 4.0277 7.2064 119.6411 54.1502 42.0439 175.4388 18 P 4.5802 0.0000 0.0000 61.2351 32.8593 175.2078 19 E 3.8792 8.5971 118.6195 56.3855 29.7444 176.3260 20 A 4.1693 8.3532 128.7627 51.7885 19.3841 176.9898 21 D 4.5069 8.5525 121.3571 53.2848 42.7127 175.8791 22 P 4.2193 0.0000 0.0000 65.4300 31.0802 178.8430 23 V 3.3933 7.8125 118.0373 65.9980 31.5119 177.8074 24 V 3.1209 7.1349 115.8953 65.6562 31.2051 177.4049 25 A 4.1181 8.0546 120.5197 54.6519 17.9407 179.2372 26 A 3.9788 8.0552 118.0542 52.7229 18.3262 179.3291 *28 E 4.2371 8.1149 121.3896 58.1707 31.8082 178.5920 29 Q 3.9714 7.6074 116.7871 59.0685 28.6405 179.0594 30 I 3.7842 7.5736 120.6174 63.9588 36.9772 178.3533 31 A 4.0276 7.8602 123.9610 55.7643 18.1503 180.3184 32 R 3.3917 8.1301 118.3783 60.6074 29.5379 179.9311 33 E 4.5408 7.7828 114.2176 58.1356 30.3416 177.6898 34 R 4.4004 7.8608 118.8023 55.1273 31.3929 176.2577 35 N 4.1560 7.9667 114.6172 53.4921 34.8159 179.1990 36 I 4.4794 8.4488 121.1470 58.9138 39.2390 174.7438 37 P 4.4879 0.0000 0.0000 62.4125 31.9486 175.6617 38 I 4.7109 7.9322 114.6447 58.2835 40.7244 175.0636 39 V 3.5880 8.5560 121.5393 63.3205 31.6283 176.3353 40 D 4.6956 8.5353 127.0778 52.9709 41.5148 177.4268 41 R 3.9169 8.4058 118.2436 59.5555 29.9042 179.3401 42 Q 3.9070 7.9480 117.3311 59.1334 28.7371 178.8990 43 T 3.9009 8.1083 117.0193 66.4209 68.4357 177.1695 44 G 2.0000 7.6597 107.8291 47.1776 0.0000 175.9473 45 R 3.6872 7.1608 120.4468 58.7248 29.9072 178.9606 46 L 3.9603 7.4097 120.1042 57.8804 42.0691 178.9504 47 L 3.9630 7.6572 118.9834 57.8971 41.4647 178.6570 48 Y 4.0667 8.1082 119.6160 60.7860 38.7268 178.0994 49 L 3.9849 8.2458 121.0356 58.2630 42.1727 178.9016 50 L 4.0560 8.3167 118.9695 57.7233 41.5094 179.4447 51 A 4.0667 8.1722 120.8464 55.1137 18.1271 179.8686 52 R 3.7357 7.7666 116.0992 59.3632 30.2253 179.0697 53 I 3.9273 7.5845 111.5009 63.4570 37.8045 177.8167 54 K 4.0267 8.2319 121.2151 57.0702 33.1022 176.5985 55 Q 3.4491 8.1058 116.4514 56.2467 26.3896 171.9380 56 P 4.5104 0.0000 0.0000 62.9304 32.9020 176.6065 57 Q 4.4120 9.1745 118.7159 56.6353 30.6203 175.6217 58 L 5.0010 7.8916 120.8543 53.4193 45.7806 174.8855 59 V 4.6615 8.8365 126.4013 60.9487 34.4176 174.0901 60 V 4.7125 8.6621 127.7381 61.2010 34.1171 174.3401 61 V 4.7172 8.9056 128.9289 60.4422 32.1851 172.0668 62 P 4.4839 0.0000 0.0000 63.8012 31.6399 175.3024 63 G 3.9589 11.2895 115.7806 46.3397 0.0000 171.7268 64 D 4.3771 9.5614 124.2346 53.1427 42.6320 174.1309 65 G 3.8787 8.7611 116.2334 46.7740 0.0000 171.7438 66 L 3.4486 9.5747 123.8537 54.9584 40.1863 175.1257 67 G 4.0119 8.2751 105.8326 47.0366 0.0000 176.0710 68 C 4.1359 8.3851 121.4185 62.2688 31.5382 175.3393 69 A 3.9644 8.5709 122.3523 55.3618 17.8283 179.8557 70 S 4.3575 8.9659 114.0596 61.2490 62.2845 176.8168 71 W 3.9969 8.3196 131.3952 60.2036 30.2720 178.1550 72 W 3.9891 7.8327 117.8037 59.7968 28.8210 178.3134 73 F 4.5934 8.3316 117.5634 60.5572 38.3992 177.5754 74 A 4.0511 8.5200 120.8828 55.2736 17.9190 179.7757 75 R 3.9355 7.4451 114.1609 58.1298 30.1976 177.3417 76 A 4.2930 7.7836 119.9460 51.6670 19.6572 176.4846 77 I 4.5324 7.0279 107.7104 58.3672 40.4048 175.5805 78 S 4.4706 8.1428 116.2169 57.3504 64.0461 174.9532 79 I 3.7643 8.1356 120.3229 63.5678 37.7486 176.6535 80 S 4.3195 7.5842 112.1598 59.4703 63.4566 173.9048 81 S 4.9456 7.7303 117.9098 57.3139 65.7246 173.0234 82 R 4.9504 8.8313 118.5370 54.7936 34.8752 174.5884 83 V 4.7066 8.5160 122.2252 61.2339 34.0033 174.8648 84 V 5.0768 8.7504 127.1149 60.2739 35.2265 174.0647 *86 I 4.5398 7.9753 122.8270 61.3401 38.8414 174.4266 87 D 5.1084 8.8942 125.3178 52.3480 44.4353 174.4393 88 P 4.4813 0.0000 0.0000 64.1331 32.1863 176.2039 89 D 4.7368 8.8168 120.5625 52.8873 42.6688 177.1739 90 R 4.0229 8.5762 123.9750 59.4160 29.5444 178.5924 91 D 4.3858 8.2963 119.2163 56.8405 40.7795 178.5028 92 N 4.3413 8.0367 116.8987 56.2729 38.6876 177.4241 93 V 3.6232 7.6160 119.1675 66.0613 31.6308 177.7031 94 E 3.9246 8.4621 119.2382 59.3650 29.2183 178.2471 95 H 4.0801 8.1133 117.4346 59.1876 30.0351 176.8589 96 A 4.1675 7.9044 121.4466 55.0054 18.4906 179.1515 97 R 4.0765 8.2737 117.5072 59.6773 30.1146 179.4380 98 R 3.9527 7.8362 113.6438 57.4509 29.9882 178.2822 *100 L 4.8439 7.8037 120.8346 55.2871 43.7379 178.7881 101 H 4.1946 8.7285 117.9468 59.1765 29.9741 176.1709 102 D 4.5074 8.6214 119.1134 56.7024 40.7871 176.8347 103 N 4.6564 8.2570 114.0113 52.0367 38.2524 176.4915 104 G 3.9752 8.0024 108.0210 46.0092 0.0000 175.2204 105 L 4.5429 7.8140 117.5119 55.3624 41.5696 178.3493 106 I 3.8363 7.5627 119.3512 63.0582 38.1485 176.2103 107 D 4.5952 8.0041 119.2331 55.5032 39.6272 177.3146 108 R 4.7758 8.2496 116.3464 55.8160 31.4628 174.3294 109 V 4.8494 7.9251 118.3835 61.7865 34.4493 173.8799 110 E 4.6217 9.5440 129.4173 54.6180 31.3175 174.2109 111 L 4.9206 8.5690 126.7701 53.1020 44.3519 176.0056 112 Q 4.6017 8.5004 120.9637 54.1300 33.3700 174.0204 113 V 4.5524 8.6968 123.1630 61.2777 32.8971 175.7894 114 G 3.8535 7.7158 115.4544 45.2225 0.0000 169.6809 115 D 4.4097 7.9965 119.6097 53.1693 42.1020 175.5485 116 P 4.2840 0.0000 0.0000 66.0629 31.4936 178.5786 117 L 4.1259 7.9891 117.0134 57.1924 41.4816 179.4309 118 G 3.6431 8.2847 105.2534 47.9917 0.0000 175.4888 119 I 3.9626 7.8886 122.1906 63.7629 37.1627 178.3115 120 A 3.9973 8.1466 121.4549 55.0197 17.9845 179.3483 121 A 4.0604 8.1181 118.3069 54.3501 18.4856 178.9662 122 G 3.8260 7.7191 102.3968 44.3770 0.0000 174.0700 123 Q 4.4358 7.4296 120.3002 55.2141 29.8718 175.4867 124 R 4.5968 7.7292 117.8750 55.5869 34.1651 174.8608 125 D 4.4154 8.6894 118.0414 55.5364 38.4423 174.6189 126 I 3.8451 7.9897 120.2564 61.8051 37.9577 178.2866 127 D 4.5117 9.1715 127.3268 56.1003 42.5653 176.7728 128 I 4.9796 7.5097 118.5771 59.3387 41.3595 174.1523 129 L 4.9182 8.7521 129.5149 53.3480 43.9650 175.7449 130 F 5.3460 8.8337 129.3981 56.4943 41.5609 174.3685 *132 D 4.3362 8.3572 119.4193 54.1160 41.5744 175.5612 133 C 4.3573 8.8706 124.7264 62.2944 28.0442 175.2354 134 D 4.4479 9.0963 119.4866 55.9936 40.8272 178.1928 135 V 3.7246 7.5089 117.4716 62.9710 32.5564 175.7290 136 F 4.8116 7.5166 115.8999 54.6895 42.5971 174.6933 137 N 4.5800 8.7137 122.0335 52.7391 39.1016 175.7042 138 G 2.0793 8.3714 115.7517 47.5488 0.0000 173.8000 139 A 3.8953 7.5577 122.3050 54.7869 18.1732 179.5633 140 D 4.2169 7.9582 116.9629 57.4592 40.8064 178.9067 141 V 3.4367 7.4061 117.5907 65.9109 31.5492 177.5653 142 L 4.0943 7.7561 119.1211 57.8674 41.9940 178.1727 143 E 4.1957 8.1836 121.2958 59.3615 29.5757 178.5692 144 R 4.2615 7.2780 118.6499 58.8759 29.8502 179.5958 *146 N 5.0412 7.9692 119.1595 54.7430 40.6254 176.5620 147 R 4.0733 8.0170 115.4004 58.4893 30.4426 176.8537 148 C 4.4391 7.9176 114.0956 59.9389 28.9514 173.0487 149 L 4.7886 7.3408 119.7552 54.1066 42.3927 176.8615 150 A 4.3509 8.7939 124.9584 50.7607 20.3597 176.6832 151 K 3.7932 8.5181 120.3452 57.6818 32.6489 176.1537 152 N 4.3676 8.9526 121.9007 53.2835 36.1906 174.2447 153 A 4.3429 7.4264 119.1003 52.1282 20.1601 177.0165 154 L 5.2059 8.8523 121.3598 53.2298 45.1036 174.9189 155 L 5.1003 9.3668 128.8009 53.8565 44.1482 175.0948 156 I 4.9804 8.9018 126.1902 59.6649 40.5989 174.2225 157 A 4.5570 9.0113 130.2602 50.1549 21.3911 176.2839 158 V 4.1879 8.0473 115.8239 60.0553 34.4318 175.5490 159 N 4.4453 8.6615 115.2264 54.5107 36.2399 176.0692 160 A 4.2194 8.0439 122.2424 54.1036 19.0889 180.1401 161 L 4.7145 8.3408 115.6451 55.4273 43.7142 176.5193 162 R 4.8530 7.4229 111.9017 54.3098 32.0475 174.6310 163 R 4.5748 7.8267 119.1420 55.9751 30.7843 177.1331 164 G 3.6919 9.8627 114.0973 45.5617 0.0000 172.9229 *177 A 3.9944 7.8332 123.5159 51.9776 19.9711 177.2416 *178 L 4.2937 8.4003 118.4193 54.0433 42.1743 171.4499 179 R 4.8365 8.1202 118.0861 52.9059 34.3065 176.0292 180 E 3.9243 9.0051 118.2751 60.1624 29.2098 178.6566 181 F 4.5597 8.3502 119.6646 61.3179 39.4239 176.5586 182 N 4.1310 8.2280 116.3531 56.7122 38.1230 177.0721 183 H 4.1556 8.0237 115.8595 58.7806 29.1110 177.0547 184 H 4.2594 8.2961 120.2434 59.3186 29.9875 177.2350 185 L 3.6809 8.0631 122.6884 57.7415 41.5592 178.8686 186 S 4.1166 7.5775 112.6928 60.2478 63.0832 174.9708 187 R 4.2380 7.5542 119.7613 56.0635 30.6978 176.6042 188 R 4.2209 7.5458 118.5595 55.2929 29.1676 177.4794 189 R 4.0856 8.5516 122.9292 57.9206 30.4235 177.4907 190 D 4.6258 8.0850 116.8823 53.6195 40.2881 175.5838 191 F 5.4061 8.3014 118.5985 55.7416 42.8877 174.0817 192 F 4.8206 9.5448 124.7513 57.0240 40.9420 174.5818 193 T 5.2299 7.6143 121.8441 62.3247 72.0889 173.0725 194 T 4.5394 8.6600 116.9983 61.0672 71.5951 172.2088 195 I 4.9416 8.2118 126.2689 59.6508 39.7105 175.2412 196 V 4.3004 8.6613 121.5509 58.4673 33.2781 175.3346 197 P 4.7822 0.0000 0.0000 61.8261 31.0776 176.4352 198 V 4.1634 7.4650 118.4155 62.2114 34.5052 176.0501 199 G 3.7837 8.1458 111.8677 47.4498 0.0000 173.8644 200 N 4.6342 8.9483 123.0357 52.4705 38.7493 174.4644 201 G 4.1045 8.8066 107.9015 45.8258 0.0000 172.9187 202 V 4.6537 8.5608 122.4597 60.8176 34.5217 173.8787 203 L 4.7500 9.0409 131.3434 54.1371 43.6421 175.0494 204 L 5.2216 9.1910 126.6117 52.8773 45.0495 175.6526 205 G 4.3795 9.1762 110.6274 44.6731 0.0000 170.6398 206 Y 5.1550 9.4275 128.6457 56.1043 40.8670 174.4059 207 R 3.7478 8.3824 128.3016 55.1587 30.8979 175.6868 208 L 4.4199 8.0515 127.2486 54.4842 42.5905 177.8714 209 S 4.2102 8.6238 116.8069 59.1007 62.7580 174.4194 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 0 G 8.35 3.76 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 0.00 0.00 0.00 *2 I 7.54 3.89 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 1.47 0.86 0.94 0.00 0.00 3 P 0.00 4.53 0.00 2.18 2.04 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 4 I 7.68 4.20 1.88 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 1.30 0.68 0.97 0.00 0.00 5 V 7.79 3.83 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 0.78 0.00 0.00 0.96 0.00 0.00 6 D 8.77 4.39 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.18 0.00 4.09 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 8 R 8.12 3.95 0.00 2.05 2.02 0.00 3.12 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 9 I 7.70 3.96 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.88 0.97 0.00 0.00 10 G 8.80 3.63 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 0.00 0.00 0.00 11 A 8.27 4.06 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 12 Y 7.73 4.03 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.29 3.96 0.00 1.74 1.69 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.32 4.47 0.00 2.83 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 15 G 7.83 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.19 4.13 0.00 1.65 1.61 0.72 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.21 4.03 0.00 1.76 1.61 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.58 0.00 2.18 2.08 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 19 E 8.60 3.88 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.89 0.00 20 A 8.35 4.17 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.55 4.51 0.00 2.76 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 22 P 0.00 4.22 0.00 2.26 2.27 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 23 V 7.81 3.39 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 1.03 0.00 0.00 24 V 7.13 3.12 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 0.89 0.00 0.00 -0.04 0.00 0.00 25 A 8.05 4.12 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 26 A 8.06 3.98 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 *28 E 8.11 4.24 0.00 2.18 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 0.00 2.29 2.50 0.00 29 Q 7.61 3.97 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 30 I 7.57 3.78 1.80 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 1.44 0.93 0.83 0.00 0.00 31 A 7.86 4.03 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 32 R 8.13 3.39 0.00 1.91 1.86 0.00 3.26 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 33 E 7.78 4.54 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 34 R 7.86 4.40 0.00 1.80 1.97 0.00 3.28 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 35 N 7.97 4.16 0.00 2.86 2.71 0.00 0.00 6.66 7.72 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 36 I 8.45 4.48 1.85 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 1.35 1.11 0.92 0.00 0.00 37 P 0.00 4.49 0.00 2.21 2.07 0.00 3.71 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 2.00 1.96 0.00 38 I 7.93 4.71 1.93 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 1.32 0.77 0.93 0.00 0.00 39 V 8.56 3.59 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.11 0.00 0.00 40 D 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0.00 0.00 0.00 0.00 1.97 1.97 0.00 57 Q 9.17 4.41 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 58 L 7.89 5.00 0.00 1.68 1.42 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.84 4.66 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.75 0.00 0.00 60 V 8.66 4.71 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 0.96 0.00 0.00 0.90 0.00 0.00 61 V 8.91 4.72 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 1.05 0.00 0.00 0.96 0.00 0.00 62 P 0.00 4.48 0.00 1.89 2.17 0.00 3.85 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 1.76 2.00 0.00 63 G 11.29 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 0.00 0.00 0.00 64 D 9.56 4.38 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.57 3.45 0.00 1.80 1.65 0.81 0.80 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 67 G 8.28 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 68 C 8.39 4.14 0.00 3.14 3.04 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 0.00 0.00 0.00 69 A 8.57 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.97 4.36 0.00 4.09 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 71 W 8.32 4.00 0.00 3.51 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 72 W 7.83 3.99 0.00 3.14 3.14 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 73 F 8.33 4.59 0.00 3.13 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 74 A 8.52 4.05 1.26 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 75 R 7.45 3.94 0.00 1.94 1.89 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.89 0.00 76 A 7.78 4.29 1.07 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 0.00 0.00 0.00 0.00 0.00 77 I 7.03 4.53 1.86 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 1.48 0.77 1.00 0.00 0.00 78 S 8.14 4.47 0.00 4.02 4.04 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 0.00 0.00 0.00 79 I 8.14 3.76 1.86 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 1.46 0.81 0.90 0.00 0.00 80 S 7.58 4.32 0.00 4.06 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 81 S 7.73 4.95 0.00 3.91 3.92 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 2.34 2.32 0.00 117 L 7.99 4.13 0.00 1.68 1.64 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.28 3.64 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 0.00 0.00 0.00 119 I 7.89 3.96 1.97 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 1.46 0.94 0.95 0.00 0.00 120 A 8.15 4.00 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 0.00 121 A 8.12 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.72 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 0.00 123 Q 7.43 4.44 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 124 R 7.73 4.60 0.00 1.72 1.76 0.00 3.51 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 125 D 8.69 4.42 0.00 2.78 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 0.00 126 I 7.99 3.85 1.86 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 1.20 0.77 0.88 0.00 0.00 127 D 9.17 4.51 0.00 2.73 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 0.00 128 I 7.51 4.98 1.64 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 1.25 0.75 0.78 0.00 0.00 129 L 8.75 4.92 0.00 1.75 1.53 0.88 0.58 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 0.00 130 F 8.83 5.35 0.00 3.15 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 *132 D 8.36 4.34 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.87 4.36 0.00 3.20 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 0.00 134 D 9.10 4.45 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 135 V 7.51 3.72 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 -0.45 0.00 0.00 0.79 0.00 0.00 136 F 7.52 4.81 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.71 4.58 0.00 2.73 2.79 0.00 0.00 6.92 7.90 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 0.00 138 G 8.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.56 3.90 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 0.00 140 D 7.96 4.22 0.00 2.84 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 0.00 141 V 7.41 3.44 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.61 0.00 0.00 142 L 7.76 4.09 0.00 1.79 1.71 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.18 4.20 0.00 2.41 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 0.00 2.32 2.19 0.00 144 R 7.28 4.26 0.00 1.90 1.79 0.00 3.35 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 *146 N 7.97 5.04 0.00 3.10 2.94 0.00 0.00 7.14 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 0.00 147 R 8.02 4.07 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 148 C 7.92 4.44 0.00 2.97 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 0.00 149 L 7.34 4.79 0.00 1.67 1.59 1.15 0.81 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 0.00 150 A 8.79 4.35 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.52 3.79 0.00 1.73 1.70 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 152 N 8.95 4.37 0.00 2.83 2.71 0.00 0.00 7.24 7.35 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 0.00 153 A 7.43 4.34 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 0.00 154 L 8.85 5.21 0.00 1.87 1.58 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.37 5.10 0.00 1.83 1.64 1.01 0.89 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 0.00 156 I 8.90 4.98 2.17 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 1.09 0.00 0.00 157 A 9.01 4.56 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 0.00 158 V 8.05 4.19 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 0.92 0.00 0.00 0.96 0.00 0.00 159 N 8.66 4.45 0.00 2.96 3.10 0.00 0.00 6.86 7.35 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 0.00 160 A 8.04 4.22 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 0.00 161 L 8.34 4.71 0.00 1.83 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 162 R 7.42 4.85 0.00 1.87 1.85 0.00 3.04 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 163 R 7.83 4.57 0.00 1.79 1.87 0.00 3.05 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 164 G 9.86 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 *177 A 7.83 3.99 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 *178 L 8.40 4.29 0.00 1.72 1.85 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 179 R 8.12 4.84 0.00 1.91 1.88 0.00 3.14 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 180 E 9.01 3.92 0.00 2.05 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 2.45 2.42 0.00 181 F 8.35 4.56 0.00 2.98 3.07 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 0.00 0.00 0.00 182 N 8.23 4.13 0.00 2.86 2.72 0.00 0.00 6.95 8.21 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 0.00 183 H 8.02 4.16 0.00 3.27 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 H 8.30 4.26 0.00 3.36 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.06 3.68 0.00 0.65 1.03 0.26 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 186 S 7.58 4.12 0.00 3.93 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 0.00 187 R 7.55 4.24 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 188 R 7.55 4.22 0.00 2.06 2.33 0.00 3.08 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 189 R 8.55 4.09 0.00 1.82 2.01 0.00 3.21 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 190 D 8.08 4.63 0.00 2.64 2.87 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 0.00 191 F 8.30 5.41 0.00 2.94 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 0.00 192 F 9.54 4.82 0.00 3.26 3.09 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 0.00 0.00 0.00 0.00 193 T 7.61 5.23 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 1.12 0.00 0.00 194 T 8.66 4.54 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 1.27 0.00 0.00 195 I 8.21 4.94 1.83 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 1.28 0.71 0.94 0.00 0.00 196 V 8.66 4.30 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 0.74 0.00 0.00 1.00 0.00 0.00 197 P 0.00 4.78 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 198 V 7.46 4.16 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 0.71 0.00 0.00 0.90 0.00 0.00 199 G 8.15 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 0.00 0.00 0.00 200 N 8.95 4.63 0.00 2.87 3.07 0.00 0.00 7.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 G 8.81 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 0.00 0.00 0.00 202 V 8.56 4.65 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 1.06 0.00 0.00 0.95 0.00 0.00 203 L 9.04 4.75 0.00 1.75 1.66 0.79 -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 0.00 0.00 0.00 0.00 204 L 9.19 5.22 0.00 1.62 1.62 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 205 G 9.18 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 Y 9.43 5.16 0.00 3.21 3.04 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 0.00 0.00 0.00 207 R 8.38 3.75 0.00 1.68 1.40 0.00 3.02 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 208 L 8.05 4.42 0.00 1.62 1.60 1.05 0.93 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 0.00 209 S 8.62 4.21 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.