NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.1414 8.3444 121.7185 55.7863 29.8063 173.5163 *10 R 3.8583 8.4019 115.8349 55.2508 31.0348 174.3577 11 P 4.3822 0.0000 0.0000 62.5439 31.9040 175.6344 12 E 4.3634 8.5858 120.7696 55.0433 31.0293 175.3765 13 L 4.3722 8.3025 123.7238 54.3549 43.1398 177.3342 14 T 4.2358 8.2327 120.5998 60.6248 68.5365 172.8352 *16 P 4.2264 0.0000 0.0000 62.2456 34.4200 175.4853 17 P 4.2105 0.0000 0.0000 65.8302 31.2757 178.8742 18 A 3.9955 7.9553 118.9337 55.2659 18.3054 179.4232 19 E 3.8797 8.1261 116.3278 59.5289 29.5742 179.2675 20 A 3.9566 8.2509 120.9922 55.1587 18.1509 179.6015 21 E 3.8752 8.1721 116.2897 59.2973 29.5950 178.9669 22 A 4.1038 7.7476 120.0622 55.0143 18.7599 179.0739 23 L 3.8755 7.9667 118.8708 58.0810 42.0358 179.7205 24 R 3.8129 7.8745 115.8802 57.2554 30.0142 177.6089 *26 A 4.3608 7.9665 121.8401 52.0228 20.6128 179.5484 27 Y 4.5115 8.2001 113.4894 61.2553 38.2008 178.2732 28 E 4.0693 8.6551 119.1189 59.4506 29.6461 178.3494 29 E 4.0959 7.8343 115.6178 58.2948 29.8662 177.1315 30 A 4.4106 7.4102 121.2675 51.5894 19.9296 176.5396 31 E 4.2762 8.9755 121.5779 57.8165 31.5745 175.8481 32 V 4.7453 8.4683 120.4396 61.0494 33.9252 174.3207 33 I 4.8076 8.7077 128.8821 59.2800 40.2717 174.0529 34 L 4.8704 8.6483 129.1426 53.1830 44.3596 174.7828 35 E 5.1648 9.1574 125.6948 54.7520 33.3466 174.6099 36 Y 4.7139 9.4125 121.7180 58.5580 39.9465 175.6425 37 G 4.3609 9.8908 113.9679 46.1229 0.0000 172.3260 38 S 5.0862 9.5284 118.4629 55.7810 66.8004 175.8756 39 G 4.5680 8.0678 110.7612 45.3758 0.0000 175.7752 40 G 3.7215 8.5797 109.8728 47.8007 0.0000 174.8084 41 S 4.2697 8.1399 115.8629 61.6632 62.9873 176.6470 42 T 4.0433 7.8899 119.1193 66.3468 68.2537 176.9302 43 V 3.6149 7.5776 119.9043 65.7760 31.3992 177.9376 44 V 3.6471 7.6565 116.9119 66.1418 31.6626 177.5629 45 A 4.1972 8.3072 120.1657 55.2111 18.2316 179.4785 46 A 4.0362 8.3516 119.4223 54.8701 18.2425 178.7139 47 E 4.3356 7.9918 114.1068 55.8677 30.3324 176.1451 48 L 4.7125 7.1657 120.0249 52.2353 43.5413 174.6659 49 P 4.5451 0.0000 0.0000 63.5755 32.3240 176.1072 50 G 3.8538 8.6560 107.5880 46.1112 0.0000 173.3280 51 K 4.7470 8.1838 118.9273 54.7402 34.9120 175.1174 52 H 4.9266 9.0960 123.8911 54.5630 31.9291 172.9325 53 V 4.7406 8.4982 126.6330 61.2787 34.3909 174.3221 54 T 4.9646 8.6332 123.6643 61.7967 72.2818 172.9626 55 S 5.0115 9.0636 122.4259 56.5242 66.2678 173.4652 56 V 4.1373 8.6429 126.6704 62.4288 32.6010 174.4812 57 E 5.2515 9.0701 128.5987 54.7887 32.5711 176.2374 58 S 4.7120 9.4862 120.3500 59.2606 64.1940 172.8884 59 D 4.9137 8.8416 121.4294 52.7491 41.5747 176.3819 60 R 3.0787 8.5595 127.7771 59.3261 29.8012 178.0827 61 A 3.9659 7.9075 118.7885 54.7572 18.5106 178.9556 62 W 4.3796 8.4598 126.1439 60.5065 30.9049 177.7507 63 A 4.1433 8.2512 120.2688 54.5168 19.4369 179.2810 64 R 4.0400 7.7314 118.1534 56.3101 26.1762 176.5958 *67 K 4.1945 7.8252 121.5967 56.0656 35.0587 178.4913 68 A 3.9686 8.0518 120.4913 54.8527 18.2345 179.4624 69 W 3.9408 8.0867 126.4081 60.6479 30.6923 178.0330 70 L 4.0995 7.9748 118.0274 57.2831 40.9385 179.0802 71 A 3.9148 7.7211 120.3162 54.8604 18.3906 179.1113 72 A 4.1254 7.5772 118.0256 53.3285 19.8542 177.5408 73 N 4.5423 7.1141 113.8000 50.2083 38.8057 172.2971 74 P 4.5776 0.0000 0.0000 60.9881 32.4549 174.7224 75 P 4.7079 0.0000 0.0000 62.1981 32.4737 175.7158 76 A 4.2416 9.0370 123.6581 51.4532 20.1445 176.5711 77 E 3.9719 8.7286 119.5522 58.3022 30.1327 178.1068 78 G 3.9622 9.2018 114.3637 45.6245 0.0000 172.5948 79 T 4.8292 7.6204 116.4393 61.8006 70.2445 173.7827 80 E 4.6561 8.9542 126.6510 54.2236 32.7664 174.4987 81 V 4.6783 8.3909 125.8133 61.1184 34.2770 174.0529 82 N 4.8837 9.1467 125.8679 51.5498 41.0588 173.7503 83 I 4.4826 8.3633 125.7415 60.4796 38.4208 176.1818 84 V 4.2232 9.0333 129.1161 60.3770 32.3681 173.6503 85 W 4.9446 8.7658 135.0000 57.6545 31.6188 174.9234 86 T 4.0736 8.5651 124.2631 61.3540 70.7260 173.2522 87 D 3.9345 7.8449 127.4576 53.8428 41.0437 175.4881 88 I 4.5512 8.7220 119.8666 60.4339 38.0242 176.0534 89 G 4.0878 8.8749 107.9846 44.5053 0.0000 171.8885 90 P 4.4239 0.0000 0.0000 63.0945 31.7011 176.0557 91 T 5.2354 8.5008 111.5028 59.9163 72.6602 175.1659 92 G 4.1544 8.7671 111.6387 45.3419 0.0000 174.3543 93 D 4.1574 8.6247 124.7297 55.1386 41.0598 176.2683 94 W 3.3957 8.8481 121.4184 57.7476 26.5840 175.0000 95 G 4.0632 7.9923 103.2602 46.7170 0.0000 173.8717 96 H 4.2311 8.2029 120.4990 54.3936 30.4383 173.1780 97 P 4.8505 0.0000 0.0000 62.8259 31.8025 176.6969 98 V 3.7807 8.9281 122.0392 65.4810 31.6417 175.4605 99 S 4.7374 7.6276 111.2709 57.2930 66.1180 172.9249 100 D 5.1695 8.9434 117.0239 53.7357 40.8586 178.1421 101 A 4.0868 7.9226 124.0141 55.1054 18.3776 179.9932 102 K 4.4573 7.8420 115.9822 55.6984 32.9989 178.1515 103 W 2.5400 7.7937 118.0786 58.8432 27.5030 177.1514 104 R 3.4701 6.7332 117.1410 58.1150 29.6380 177.8664 105 S 4.4721 7.8458 114.0177 59.1956 63.1708 175.5822 106 Y 4.3434 7.7882 120.7488 60.7895 37.7061 176.6370 107 P 4.3436 0.0000 0.0000 64.8157 31.3264 178.1884 108 D 4.4006 8.2324 118.7677 57.1713 40.3924 177.8785 109 Y 3.9642 7.6931 119.7150 60.2809 38.9550 176.1790 110 P 4.5244 0.0000 0.0000 65.3223 31.9791 177.3670 111 L 4.6411 8.1027 117.6433 56.1759 42.4493 178.6615 112 A 4.0811 8.2504 121.4217 55.0087 18.1639 180.0022 113 V 3.5527 7.7963 117.0841 64.4044 31.2184 177.9675 114 W 4.2098 8.0404 117.7406 57.9133 29.0587 176.7872 115 R 4.4358 7.5542 116.3076 55.6318 30.6735 176.0219 116 T 3.9270 7.6639 116.7900 62.3065 67.9100 173.8873 117 E 4.1188 8.5464 123.9742 57.3338 30.1941 176.7587 118 G 3.9061 8.9510 111.5264 44.8704 0.0000 173.0753 119 F 3.9867 7.7089 121.2167 58.4128 39.6158 174.8136 120 R 4.1712 7.2199 125.6025 53.8294 32.8944 174.6895 121 H 3.7899 8.4510 122.7682 55.4184 30.2851 173.2626 122 P 4.4819 0.0000 0.0000 62.9257 32.1565 175.7689 123 D 4.8683 9.0729 121.2641 55.7994 42.6327 177.1167 124 V 5.0512 7.6663 116.6196 59.7543 35.2690 174.7830 125 V 4.9246 9.0617 123.4724 61.1231 34.4415 173.6442 126 L 5.1035 9.2300 130.7368 53.6524 44.1142 175.1571 127 V 4.6113 9.1598 127.9682 61.4510 32.4878 175.7280 128 D 4.6903 8.8488 129.8916 52.7246 41.9951 175.4081 129 G 4.3945 8.4485 110.9639 45.1237 0.0000 176.0595 130 R 4.2957 9.0416 125.6947 54.0362 32.3903 174.8619 131 F 4.4269 7.4525 113.5717 57.1914 36.9369 178.4543 132 R 3.7414 8.1348 120.3674 59.5596 30.1587 178.6880 133 V 3.8720 8.1029 117.5809 65.8178 31.4348 178.0383 134 G 3.7832 8.1019 106.4508 47.5132 0.0000 175.3069 135 C 3.8384 8.5467 119.4446 62.1819 28.0070 175.9988 136 A 3.9097 7.9026 122.3397 55.2693 18.0124 179.7648 137 L 3.5373 8.0221 117.2487 57.4670 41.6409 179.3761 138 A 3.9234 8.1849 121.1624 55.4236 18.2409 179.9197 139 T 3.0672 7.7722 113.8124 66.5697 68.3903 176.7668 140 A 3.7651 7.3718 121.1604 54.7953 18.3605 178.9117 141 F 4.6340 7.4509 113.5944 58.6178 39.4736 177.4737 142 S 4.2856 6.9276 113.7061 58.5751 63.6974 174.9015 143 I 4.0376 6.5271 114.2297 61.3051 37.6688 175.8168 144 T 4.6223 8.8922 109.8210 61.2995 70.0370 173.3229 145 R 4.8182 7.6749 117.1484 53.8381 32.9491 173.0089 146 P 4.8256 0.0000 0.0000 62.9705 32.2411 176.2090 147 V 4.7982 8.6702 114.6845 60.0298 36.7025 174.4773 148 T 4.9597 8.5492 119.0532 62.6584 70.1888 173.7471 149 L 5.3196 9.2419 128.7355 53.2816 45.1196 174.7051 150 L 5.2830 9.3327 126.4709 53.0642 44.4183 175.1255 151 F 5.2445 9.3374 126.8379 56.1160 41.5086 173.6667 152 D 4.7164 8.9645 127.1377 54.7760 41.6369 175.6906 153 D 4.3493 8.5333 123.9112 55.3603 39.6258 172.9294 154 Y 4.4952 8.5826 121.3868 56.7267 40.0287 173.8512 155 S 4.5714 7.8051 121.6032 56.2094 65.3192 175.8901 156 Q 4.0407 8.1217 124.2949 54.9866 27.8336 176.9230 157 R 3.9988 7.9609 117.0474 56.7530 30.2497 178.2312 158 R 3.9272 8.7417 121.6048 61.5311 29.6793 179.5425 159 W 4.6484 8.1216 128.6918 60.6368 31.0346 178.0555 160 Q 4.0692 8.2623 119.9870 59.6936 28.2825 178.5381 *161 H 4.6304 9.1016 121.0677 57.9141 27.5189 179.0951 162 Q 4.3620 7.5601 116.6369 59.1288 28.4114 178.5049 163 V 3.8868 7.7065 114.7056 64.1225 31.5010 177.9649 164 E 4.4976 8.2456 119.6742 58.2890 28.9882 178.6242 165 E 3.6866 7.3528 119.5739 58.5034 29.5866 177.8535 166 F 4.6921 7.7191 115.0256 57.6965 40.6242 176.7924 167 L 4.3888 8.2490 116.8528 54.2211 42.1391 177.6646 168 G 3.8629 7.9663 108.5014 44.2652 0.0000 172.0966 169 A 4.4010 8.3822 121.5839 51.0713 19.2395 175.4166 170 P 4.2461 0.0000 0.0000 61.6364 33.0459 176.8635 171 L 4.0454 7.9302 124.0700 54.7330 45.1281 175.3877 *173 I 4.1067 8.3736 118.8006 60.7249 38.4169 177.1933 174 G 3.7211 8.7104 119.3936 47.1629 0.0000 173.0962 175 R 4.4166 9.7360 124.9064 55.4373 30.0329 174.5398 176 L 4.9222 8.0276 121.7364 54.1582 42.8230 175.6370 177 A 4.6399 8.8607 128.5066 50.3543 21.2557 175.3749 178 A 5.0534 8.8537 124.4224 50.3174 21.4656 175.2156 179 F 5.0300 9.6351 121.5744 56.3909 42.0611 175.3360 180 Q 5.0793 8.7655 120.7006 54.4854 30.5195 174.9797 181 V 4.4296 9.0312 125.2857 61.1582 33.8302 174.3372 182 E 5.1066 8.5731 126.2555 53.8067 31.8645 174.1674 183 P 4.6066 0.0000 0.0000 63.1624 32.1660 175.6656 184 Q 4.6025 8.1429 117.7927 54.7199 30.7230 172.1740 185 P 4.4317 0.0000 0.0000 62.5288 32.1843 175.9354 186 I 3.2272 7.8006 120.6888 59.5286 37.4141 174.2801 187 P 4.4180 0.0000 0.0000 61.4978 31.8909 175.9457 188 P 4.1528 0.0000 0.0000 65.3932 31.4680 178.5823 189 G 3.6774 8.0335 105.4305 47.4579 0.0000 174.1044 190 S 4.6997 8.0664 115.6761 58.4092 63.2272 176.1990 191 L 4.1542 7.4937 119.1701 55.5332 40.9306 178.8481 *193 Q 4.2550 8.2370 121.5581 56.1736 30.6672 176.8208 194 L 3.9590 8.1893 117.9748 58.4661 42.0958 178.7918 195 I 3.9231 7.8908 118.6733 64.2844 37.1634 178.0638 196 R 4.2552 8.0972 119.5164 59.3230 29.8277 178.3843 197 T 5.0318 8.0661 110.0457 62.1703 68.9942 175.7370 *199 T 4.6886 7.7196 109.2635 62.3753 70.7398 173.4332 200 S 4.6568 7.9938 119.2033 56.4493 63.1587 172.6529 201 P 2.9700 0.0000 0.0000 61.9216 30.8363 176.8052 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 8 Q 8.34 4.14 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 *10 R 8.40 3.86 0.00 2.00 1.90 0.00 3.45 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.65 0.00 11 P 0.00 4.38 0.00 1.85 2.01 0.00 2.32 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.54 0.00 12 E 8.59 4.36 0.00 2.35 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 2.23 1.85 0.00 13 L 8.30 4.37 0.00 1.62 1.63 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.23 4.24 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 1.32 0.00 0.00 *16 P 0.00 4.23 0.00 2.21 2.05 0.00 3.78 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 2.21 2.18 0.00 17 P 0.00 4.21 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 18 A 7.96 4.00 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 19 E 8.13 3.88 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 20 A 8.25 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.17 3.88 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 22 A 7.75 4.10 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 23 L 7.97 3.88 0.00 1.60 1.69 0.48 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.87 3.81 0.00 1.88 2.04 0.00 3.31 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 *26 A 7.97 4.36 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 27 Y 8.20 4.51 0.00 3.23 2.98 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 28 E 8.66 4.07 0.00 1.97 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 2.41 2.63 0.00 29 E 7.83 4.10 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 2.37 2.42 0.00 30 A 7.41 4.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.98 4.28 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 32 V 8.47 4.75 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 0.75 0.00 0.00 0.82 0.00 0.00 33 I 8.71 4.81 1.52 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.40 0.33 0.00 0.00 34 L 8.65 4.87 0.00 1.42 1.33 0.43 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.16 5.16 0.00 1.84 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 2.31 2.18 0.00 36 Y 9.41 4.71 0.00 2.92 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 37 G 9.89 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 38 S 9.53 5.09 0.00 4.06 3.95 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 39 G 8.07 4.57 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 0.00 0.00 0.00 40 G 8.58 3.72 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 0.00 41 S 8.14 4.27 0.00 4.25 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 0.00 42 T 7.89 4.04 4.35 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 1.22 0.00 0.00 43 V 7.58 3.61 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 0.34 0.00 0.00 44 V 7.66 3.65 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 0.94 0.00 0.00 1.00 0.00 0.00 45 A 8.31 4.20 1.17 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 0.00 0.00 46 A 8.35 4.04 1.52 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 0.00 0.00 47 E 7.99 4.34 0.00 2.15 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 2.41 2.62 0.00 48 L 7.17 4.71 0.00 1.81 1.61 1.05 1.12 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 49 P 0.00 4.55 0.00 2.18 2.05 0.00 3.84 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 1.99 1.97 0.00 50 G 8.66 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 51 K 8.18 4.75 0.00 1.60 1.62 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.94 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 0.00 129 G 8.45 4.39 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 0.00 130 R 9.04 4.30 0.00 1.02 1.03 0.00 3.48 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 131 F 7.45 4.43 0.00 3.13 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 0.00 132 R 8.13 3.74 0.00 1.96 1.52 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 133 V 8.10 3.87 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 0.75 0.00 0.00 0.79 0.00 0.00 134 G 8.10 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 0.00 135 C 8.55 3.84 0.00 2.66 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 0.00 0.00 0.00 0.00 136 A 7.90 3.91 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 0.00 137 L 8.02 3.54 0.00 1.62 1.57 0.88 0.45 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 0.00 138 A 8.18 3.92 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 0.00 139 T 7.77 3.07 4.39 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 1.40 0.00 0.00 140 A 7.37 3.77 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 0.00 141 F 7.45 4.63 0.00 2.84 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 0.00 142 S 6.93 4.29 0.00 2.72 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 6.53 4.04 2.27 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 1.54 0.54 1.06 0.00 0.00 144 T 8.89 4.62 4.31 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 1.29 0.00 0.00 145 R 7.67 4.82 0.00 1.76 1.87 0.00 2.99 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.52 0.00 146 P 0.00 4.83 0.00 2.00 2.13 0.00 3.64 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 2.26 0.00 147 V 8.67 4.80 2.32 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 1.05 0.00 0.00 1.06 0.00 0.00 148 T 8.55 4.96 4.33 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 1.29 0.00 0.00 149 L 9.24 5.32 0.00 1.77 1.63 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.33 5.28 0.00 1.68 1.64 0.91 0.82 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 0.00 151 F 9.34 5.24 0.00 3.22 2.82 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 0.00 152 D 8.96 4.72 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 0.00 153 D 8.53 4.35 0.00 2.81 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 0.00 154 Y 8.58 4.50 0.00 3.13 2.88 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 0.00 155 S 7.81 4.57 0.00 3.85 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 0.00 156 Q 8.12 4.04 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 157 R 7.96 4.00 0.00 1.94 1.98 0.00 3.01 0.00 0.00 3.52 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 158 R 8.74 3.93 0.00 1.93 1.90 0.00 3.27 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 1.56 1.27 0.00 159 W 8.12 4.65 0.00 3.35 3.11 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 0.00 160 Q 8.26 4.07 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.71 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 *161 H 9.10 4.63 0.00 2.88 3.07 0.00 7.19 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 7.56 4.36 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 163 V 7.71 3.89 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 0.84 0.00 0.00 0.95 0.00 0.00 164 E 8.25 4.50 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.40 0.00 165 E 7.35 3.69 0.00 1.79 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 166 F 7.72 4.69 0.00 2.86 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 0.00 167 L 8.25 4.39 0.00 1.25 1.07 0.79 -0.05 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 0.00 168 G 7.97 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.38 4.40 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 0.00 170 P 0.00 4.25 0.00 1.28 0.49 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.21 0.00 171 L 7.93 4.05 0.00 1.68 1.52 0.89 0.96 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 *173 I 8.37 4.11 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.27 0.93 0.00 0.00 174 G 8.71 3.72 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 0.00 175 R 9.74 4.42 0.00 1.85 1.98 0.00 3.11 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 176 L 8.03 4.92 0.00 1.66 1.76 1.05 0.92 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 0.00 177 A 8.86 4.64 0.70 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 0.00 0.00 178 A 8.85 5.05 1.18 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 0.00 179 F 9.64 5.03 0.00 2.92 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 0.00 180 Q 8.77 5.08 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 181 V 9.03 4.43 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 0.90 0.00 0.00 0.94 0.00 0.00 182 E 8.57 5.11 0.00 1.89 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 0.00 2.25 2.28 0.00 183 P 0.00 4.61 0.00 1.96 2.18 0.00 3.74 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 2.16 2.15 0.00 184 Q 8.14 4.60 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 185 P 0.00 4.43 0.00 2.20 2.10 0.00 3.86 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 2.03 2.01 0.00 186 I 7.80 3.23 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.37 0.00 0.00 187 P 0.00 4.42 0.00 2.24 2.05 0.00 3.29 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 188 P 0.00 4.15 0.00 2.15 2.06 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 189 G 8.03 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 0.00 190 S 8.07 4.70 0.00 4.05 3.95 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 0.00 191 L 7.49 4.15 0.00 1.64 1.64 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *193 Q 8.24 4.25 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 194 L 8.19 3.96 0.00 1.78 1.85 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 195 I 7.89 3.92 1.92 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 1.43 0.86 0.98 0.00 0.00 196 R 8.10 4.26 0.00 2.06 2.30 0.00 3.30 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 197 T 8.07 5.03 4.33 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 0.96 0.00 0.00 *199 T 7.72 4.69 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 200 S 7.99 4.66 0.00 4.39 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 0.00 201 P 0.00 2.97 0.00 1.22 0.75 0.00 3.53 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 1.62 1.22 0.00 * Residues marked with a * may have inaccurate shift predictions.