NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6583 8.2076 120.3170 52.8602 40.9552 175.8771 3 R 3.7763 8.3264 115.3601 58.9400 29.0866 175.4682 4 E 3.9406 8.4046 119.1735 59.3182 29.9369 180.1406 5 Q 3.9356 8.6787 119.8226 58.9732 28.9091 178.2334 6 V 3.5722 7.6701 118.3313 66.0724 31.8985 177.8919 7 V 3.7174 8.1545 118.0244 65.8818 31.4020 177.5081 8 A 4.0256 8.2040 120.7423 55.4462 18.1474 179.2778 9 L 3.9743 8.0494 118.4581 58.5286 41.8552 179.1860 10 Q 4.0759 7.9430 116.7998 58.4922 28.6477 177.5968 11 H 4.4930 7.9828 116.7648 58.1080 29.1514 176.8700 12 Q 4.3319 8.1047 120.2397 58.0182 28.9845 176.4106 13 R 4.1647 7.8605 121.1860 55.8525 29.9273 175.0704 14 F 4.8596 8.2420 118.9509 55.0633 41.0663 174.7049 15 A 4.0261 8.3808 123.9131 50.8991 16.8267 176.0356 16 A 3.5002 7.6743 124.2904 52.2888 18.6958 177.8756 17 K 4.4350 8.4573 121.7905 56.1965 33.9241 176.4292 18 K 4.6782 7.5899 118.4663 54.5961 34.9712 174.7515 19 Y 5.0867 8.6040 121.9091 55.8711 41.4973 175.1153 20 D 4.7136 9.7584 123.8099 53.4226 41.6344 175.1573 21 P 4.5281 0.0000 0.0000 64.3608 31.8038 176.5515 22 N 4.8480 8.4757 115.9081 52.7761 38.7567 174.1563 23 R 4.4933 7.8678 118.9959 54.4711 32.2969 174.5312 24 R 4.8410 8.3958 124.6477 54.0743 32.7607 175.1642 25 I 4.2007 8.3107 124.0002 60.9996 37.7409 177.3676 26 S 4.4225 8.6557 119.9002 58.0205 65.0544 174.9749 27 Q 4.0522 8.7398 123.8246 59.7517 28.7341 179.2803 28 K 4.1984 8.0236 118.7260 59.5093 32.1823 178.9601 29 D 4.3570 8.2423 119.2761 57.1163 40.7559 178.6567 30 W 4.0472 8.5559 129.1949 60.4848 30.7036 177.9277 31 E 3.7635 8.3263 118.3855 59.1524 28.7478 179.2001 32 A 3.8830 7.8813 120.9460 55.0545 18.4291 179.7215 33 L 3.5583 7.4495 117.5432 57.5944 41.5143 179.9051 34 V 3.0405 6.8989 118.2371 65.5454 31.3898 177.5844 35 E 3.7911 7.8963 119.0927 59.2278 29.2013 178.7207 36 V 3.5922 7.5965 117.4081 66.1474 31.6256 177.9708 37 G 3.4698 7.6499 105.0623 47.6881 0.0000 175.5009 38 R 3.9727 8.0253 120.6069 58.9574 30.1683 177.7145 39 L 4.3779 7.7256 115.1937 53.9382 42.3374 177.0257 40 A 4.1639 7.0763 122.8693 51.5592 18.9085 175.9076 41 P 4.7664 0.0000 0.0000 62.6425 32.7715 175.6452 42 S 4.7439 8.0976 112.1457 56.4492 65.8798 173.3780 43 S 4.3946 9.3676 117.0996 60.0976 62.3970 174.7677 44 I 3.4358 8.9707 126.5495 61.3720 34.2366 173.3283 45 G 4.0855 8.0699 106.6559 46.5237 0.0000 175.1696 46 L 4.0160 7.6755 119.2819 54.8431 42.5549 176.9533 47 E 2.0000 7.4732 118.3875 56.1461 27.8856 174.2793 48 P 4.4405 0.0000 0.0000 60.9628 30.2744 176.2533 49 W 5.8641 7.2388 115.6377 56.6557 32.2210 175.4824 50 K 4.5089 8.9045 119.8421 55.9090 35.4864 173.4469 *52 L 4.2459 8.3956 117.8223 54.7110 43.3295 175.8302 53 L 4.6707 8.4304 125.8874 54.0739 42.8857 176.2080 54 L 4.1114 8.9089 130.6717 54.3576 40.7269 175.6814 55 K 4.0085 8.4132 128.9670 58.6680 32.9967 178.3455 56 N 4.0128 8.0784 111.8433 53.6779 37.5693 175.9916 *77 A 3.6727 7.6039 120.0802 52.5813 19.6388 177.4109 78 S 4.2444 8.3787 114.2129 61.2443 63.1797 174.3872 79 H 4.4884 8.5524 116.4384 53.6603 32.8216 172.2424 80 F 4.9410 8.6603 124.7468 56.3445 41.9106 173.5467 81 V 4.7444 8.4783 126.7871 61.1225 33.3873 174.6781 82 I 4.3466 8.5046 129.0965 59.8040 38.9098 174.7619 83 Y 4.3480 9.1041 126.5056 57.1827 39.1821 174.8453 84 L 5.3686 9.0810 124.8586 53.2519 44.5018 175.4600 85 A 5.4952 9.0323 123.3452 50.2002 22.1032 176.0011 86 R 4.2533 8.8866 121.0226 56.0350 30.8941 176.5542 87 K 4.5128 8.5475 122.0956 55.4361 33.8798 176.5741 88 G 3.8845 8.5205 109.0163 46.9093 0.0000 175.8746 89 V 4.1173 7.7941 119.3676 61.0590 30.5145 174.2356 90 T 5.3757 7.9292 114.2416 57.8444 71.8478 175.4968 91 Y 4.1982 8.9198 119.9969 59.5700 37.8849 176.8033 92 D 4.3850 7.2237 117.3290 52.6601 40.0591 176.8679 93 S 4.4480 7.8764 116.1030 58.1637 65.3244 174.6376 94 D 4.3842 8.6422 123.3756 57.8827 40.5651 178.6521 95 Y 3.9702 7.9313 119.4056 60.5883 38.6814 178.0241 96 V 3.2584 7.3638 117.7413 65.7305 31.7078 177.4861 97 K 3.9913 7.5137 117.6700 59.2767 32.2491 178.3578 98 K 4.0811 8.0023 120.1815 59.2100 32.2384 180.9042 99 V 3.7572 7.3021 119.5649 62.0105 31.3547 177.9547 *101 H 4.8191 8.0827 115.6874 57.2139 30.6444 175.8616 102 E 3.9975 8.5953 118.1402 58.9295 29.7054 178.5487 103 V 3.9775 7.8286 117.0729 64.7518 32.0818 177.0760 104 K 4.1196 7.9103 116.0122 56.2956 32.6030 176.5887 105 K 4.2757 7.7722 116.2697 56.5208 29.4654 174.8885 106 R 4.4642 7.4847 117.3667 54.5495 32.5838 175.3833 107 D 4.7385 8.3149 126.0963 53.5286 39.5975 175.1429 108 Y 4.3091 7.3275 123.4133 57.3803 40.4223 173.7384 109 D 4.7270 7.5180 124.4096 51.7685 42.3584 176.3042 110 T 3.9229 8.3930 110.4802 64.1076 68.8682 174.6387 111 N 4.7824 7.9907 117.9144 53.0294 39.3274 175.6991 112 S 4.4134 7.9291 117.5472 58.3293 65.1052 175.6529 113 R 3.9404 8.6257 125.1631 61.9909 29.0291 179.7321 114 F 4.3652 8.2800 120.6900 61.0375 39.3958 176.7173 115 A 4.2210 8.2624 122.0963 54.8857 18.0893 179.7140 116 Q 3.7366 8.2135 116.3080 58.8083 28.6065 179.0047 117 I 3.6394 7.8149 121.3234 64.2393 37.0495 178.4478 118 I 3.6456 7.4913 120.6138 64.1136 36.9153 178.1702 119 K 3.6130 8.0471 120.6988 59.5768 31.8540 178.1816 120 N 4.1646 8.1053 117.1542 56.4787 38.3954 176.3152 121 F 4.6004 8.2641 123.5531 60.9257 39.5847 177.2262 122 Q 3.0975 8.0027 117.3277 58.8628 28.2187 178.6333 123 E 3.8789 8.1715 119.5871 58.5614 29.2470 178.0058 124 N 4.5690 7.7777 113.4910 55.1450 40.1850 176.1713 125 D 4.3472 7.3637 114.8259 56.2022 40.9731 177.2418 *127 K 4.3870 7.5374 117.3250 56.3711 33.2554 177.6962 128 L 4.3186 8.0374 120.3420 53.4562 40.2466 176.5096 129 N 4.9799 8.2009 115.6361 52.2953 39.9445 174.7994 130 S 4.7233 7.9673 112.9987 55.7672 67.5128 174.6322 131 E 4.0137 8.7568 121.9324 59.6921 29.1695 179.7014 132 R 4.0331 8.0126 118.3971 59.4919 30.3119 178.5432 133 S 4.2346 8.3419 114.1950 61.3871 63.0522 176.5305 134 L 4.0889 8.1056 122.6095 57.5252 41.3737 179.1497 135 F 4.1353 8.5923 120.7793 61.5946 39.3516 176.9828 136 D 4.2725 8.7482 118.8258 56.7318 40.2965 178.5600 137 W 4.1272 8.1453 128.2366 60.4993 30.8564 177.5956 138 A 3.4737 7.8781 120.3390 54.8459 17.6005 179.4550 139 S 3.9549 7.9329 112.0849 61.4163 62.5094 176.2891 140 K 3.6985 7.9883 121.1980 59.8480 31.8991 179.1491 141 Q 4.0901 7.6228 118.1721 59.1784 28.4138 178.9795 142 T 4.0004 7.6799 109.6629 64.7816 68.7758 175.8963 143 Y 3.8142 7.8169 119.0386 60.6455 38.0061 177.7977 144 I 3.9043 7.8055 120.4600 64.3603 37.0566 178.3523 145 Q 3.7071 7.2452 114.0540 57.1283 28.6184 176.6707 *147 A 4.2612 7.8053 121.7444 51.7716 20.3040 177.8252 148 N 4.1261 8.1001 113.5115 53.7728 38.7458 174.7239 *152 A 4.3291 8.6186 126.0102 52.1007 20.8320 177.2806 153 A 4.1399 8.1387 117.9214 55.4722 18.7290 180.9756 154 A 4.5018 7.8492 119.0807 52.1556 17.4246 178.6588 *156 L 4.2674 8.0341 118.4529 55.3343 43.4491 177.8695 157 G 4.0016 8.4097 106.6222 46.0425 0.0000 173.2418 158 I 4.2645 7.9605 119.6785 59.3351 39.2963 175.3461 159 D 4.9988 9.1714 126.3323 53.5269 43.6198 175.2122 160 S 4.8403 7.8803 112.9122 57.7649 66.7990 172.6429 161 C 4.8193 8.3757 120.3091 57.3189 34.6463 171.5383 162 P 4.5600 0.0000 0.0000 62.4997 32.1068 176.3036 163 I 4.5136 8.0215 122.6112 60.2728 40.0485 174.8893 164 E 4.6001 8.8889 124.1916 56.3215 31.3375 177.5029 165 G 3.9450 7.8954 109.4555 43.9744 0.0000 171.9764 166 Y 4.7615 6.5175 119.3265 54.8513 41.5801 174.6242 167 D 4.8219 8.7279 120.5424 53.3804 42.0516 176.9638 168 Q 4.3469 8.6860 127.0937 59.3303 28.6435 178.0873 169 E 3.9501 8.2606 120.7838 59.1442 29.8420 178.7917 170 K 4.0244 8.3869 118.6276 59.3363 32.0357 179.5017 171 V 3.6566 8.1157 118.6414 66.2458 31.4088 178.0269 172 E 4.0458 8.5256 118.0846 59.2355 29.2783 179.0803 173 A 4.0138 8.3557 121.1301 55.3122 18.4499 178.9576 174 Y 4.0271 8.2874 117.9193 60.9685 38.8887 178.0928 175 L 3.9405 8.4620 120.2172 57.9261 41.7848 179.3089 176 E 4.2545 8.4002 120.5672 58.7473 29.3585 178.4712 177 E 3.8928 8.0106 118.3273 59.1343 29.8456 178.3962 178 K 4.1817 7.7269 115.8995 56.6762 32.2354 177.5877 179 G 3.6888 7.7932 107.3565 46.5693 0.0000 173.7061 180 Y 4.4837 8.1568 114.3334 56.9219 38.6740 175.6380 181 L 4.3860 7.4966 122.6741 53.6081 44.8042 174.3359 182 N 4.9430 8.8448 125.8907 52.3000 38.3758 175.2913 183 T 4.4960 8.6741 115.6324 62.9031 69.3556 175.6967 184 A 4.1578 8.2372 125.6564 54.6336 18.8243 178.2118 185 E 4.2613 8.3224 114.2764 57.3549 30.8239 175.9222 186 F 5.4679 8.4608 115.7136 55.7030 43.3526 173.4258 187 G 4.2361 9.2678 108.8066 44.1570 0.0000 172.0384 188 V 4.3214 9.2595 121.6543 63.3039 31.6809 175.2755 189 S 4.9932 9.3872 123.4935 59.6074 63.2893 173.8362 190 V 4.5775 7.6957 117.3059 62.0798 33.9435 170.8585 *192 A 4.3963 8.1867 119.8728 52.3119 20.2775 175.9231 193 C 5.0167 8.1990 114.4251 56.3943 33.1317 172.9005 194 F 5.0073 9.2411 118.0868 55.5616 43.1389 175.4532 195 G 3.9255 7.8405 107.5473 46.4354 0.0000 170.2419 196 Y 5.2926 8.0090 117.5943 55.8529 40.5589 176.0006 197 R 4.2358 9.2308 121.3387 55.9092 30.5398 175.8653 198 N 5.2652 9.1701 120.3491 52.9338 39.3206 173.6153 199 Q 4.5998 7.9701 112.8727 54.0739 31.8942 173.6514 200 E 4.0783 8.3566 117.6731 55.7871 30.0601 177.2604 201 I 2.0759 7.7614 122.3611 61.0478 37.4002 176.3220 202 T 3.8576 6.6008 122.8152 62.4384 68.7636 172.8454 203 P 4.3486 0.0000 0.0000 62.1889 32.0533 176.4187 204 K 4.1715 8.4831 121.4950 56.4436 32.6587 176.6638 205 T 4.5614 8.3042 112.6078 59.8804 70.7033 173.4285 206 R 4.6162 8.1542 123.5896 53.6044 34.4298 174.8415 207 W 4.5382 8.4627 119.3313 56.9516 29.8514 176.7235 208 K 4.3298 8.8025 120.2335 56.4957 32.7621 178.1513 209 T 3.9963 8.8910 118.4524 67.2043 68.4151 176.5461 210 E 4.0906 8.2351 118.2493 59.1092 29.7437 178.6152 211 V 3.6149 7.9443 118.5000 64.7028 31.6174 176.5727 212 I 4.4046 7.5520 109.6061 60.3360 37.8243 174.5094 213 Y 4.8340 7.5425 121.0649 56.6594 41.5955 173.3811 214 E 4.3035 7.7545 126.3344 54.3043 32.9598 174.0843 215 V 3.8156 7.8395 124.6324 61.4552 32.6117 175.3088 216 I 3.8650 8.3625 130.8303 61.7710 37.3611 176.3468 217 E 4.1342 8.8067 120.7870 56.3900 29.4946 170.7820 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 2 D 8.21 4.66 0.00 2.92 2.91 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 3 R 8.33 3.78 0.00 2.14 2.23 0.00 2.97 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 4 E 8.40 3.94 0.00 2.26 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 2.43 0.00 5 Q 8.68 3.94 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 6 V 7.67 3.57 2.23 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 0.86 0.00 0.00 0.99 0.00 0.00 7 V 8.15 3.72 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 1.00 0.00 0.00 0.94 0.00 0.00 8 A 8.20 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.05 3.97 0.00 1.93 1.84 0.96 0.79 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 10 Q 7.94 4.08 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 11 H 7.98 4.49 0.00 3.31 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.10 4.33 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 13 R 7.86 4.16 0.00 2.00 1.88 0.00 3.39 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 14 F 8.24 4.86 0.00 3.12 2.90 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 15 A 8.38 4.03 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 16 A 7.67 3.50 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.46 4.44 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.39 7.81 18 K 7.59 4.68 0.00 1.62 1.66 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 19 Y 8.60 5.09 0.00 2.86 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 20 D 9.76 4.71 0.00 2.79 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 21 P 0.00 4.53 0.00 2.24 2.19 0.00 3.83 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 2.01 2.01 0.00 22 N 8.48 4.85 0.00 2.74 2.85 0.00 0.00 6.63 7.16 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 23 R 7.87 4.49 0.00 1.65 1.84 0.00 2.96 0.00 0.00 2.72 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.00 24 R 8.40 4.84 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 25 I 8.31 4.20 1.85 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 1.23 0.65 1.08 0.00 0.00 26 S 8.66 4.42 0.00 4.10 4.07 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 27 Q 8.74 4.05 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 28 K 8.02 4.20 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.54 7.81 29 D 8.24 4.36 0.00 2.80 2.77 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 30 W 8.56 4.05 0.00 3.20 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 31 E 8.33 3.76 0.00 2.19 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 2.33 2.48 0.00 32 A 7.88 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.45 3.56 0.00 0.75 0.85 0.77 0.71 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 34 V 6.90 3.04 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 0.77 0.00 0.00 0.25 0.00 0.00 35 E 7.90 3.79 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 36 V 7.60 3.59 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.86 0.00 0.00 37 G 7.65 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.97 0.00 1.72 2.10 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 39 L 7.73 4.38 0.00 1.65 1.70 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.08 4.16 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 41 P 0.00 4.77 0.00 2.27 2.13 0.00 3.84 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 2.07 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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 0.00 140 K 7.99 3.70 0.00 1.87 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.60 7.81 141 Q 7.62 4.09 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 142 T 7.68 4.00 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 1.52 0.00 0.00 143 Y 7.82 3.81 0.00 3.07 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 0.00 144 I 7.81 3.90 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 0.95 0.00 0.00 145 Q 7.25 3.71 0.00 1.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.10 1.87 0.00 *147 A 7.81 4.26 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 0.00 148 N 8.10 4.13 0.00 2.75 2.74 0.00 0.00 7.03 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 *152 A 8.62 4.33 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 0.00 153 A 8.14 4.14 1.56 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 0.00 0.00 0.00 154 A 7.85 4.50 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 *156 L 8.03 4.27 0.00 1.85 1.83 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 4.26 2.01 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 0.87 0.72 0.90 0.00 0.00 159 D 9.17 5.00 0.00 2.72 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 0.00 0.00 0.00 160 S 7.88 4.84 0.00 3.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.38 4.82 0.00 3.12 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 0.00 162 P 0.00 4.56 0.00 1.89 1.79 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 163 I 8.02 4.51 1.86 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 1.44 0.66 1.15 0.00 0.00 164 E 8.89 4.60 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 165 G 7.90 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 0.00 0.00 0.00 166 Y 6.52 4.76 0.00 3.23 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 0.00 167 D 8.73 4.82 0.00 2.77 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 0.00 168 Q 8.69 4.35 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 169 E 8.26 3.95 0.00 2.09 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 0.00 2.41 2.42 0.00 170 K 8.39 4.02 0.00 1.91 1.88 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.71 7.81 171 V 8.12 3.66 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 1.06 0.00 0.00 1.01 0.00 0.00 172 E 8.53 4.05 0.00 2.20 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 2.40 2.51 0.00 173 A 8.36 4.01 1.44 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 0.00 174 Y 8.29 4.03 0.00 3.19 3.24 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 0.00 175 L 8.46 3.94 0.00 1.76 1.77 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.40 4.25 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 177 E 8.01 3.89 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 178 K 7.73 4.18 0.00 1.75 1.92 0.00 1.71 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.88 1.00 7.81 179 G 7.79 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 0.00 180 Y 8.16 4.48 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.50 4.39 0.00 1.70 1.58 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 182 N 8.84 4.94 0.00 2.84 2.90 0.00 0.00 6.93 7.22 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 0.00 183 T 8.67 4.50 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 1.25 0.00 0.00 184 A 8.24 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.32 4.26 0.00 2.19 1.55 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 2.46 2.29 0.00 186 F 8.46 5.47 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 9.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 9.26 4.32 2.26 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 0.79 0.00 0.00 0.99 0.00 0.00 189 S 9.39 4.99 0.00 4.08 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 0.00 190 V 7.70 4.58 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 0.38 0.00 0.00 0.68 0.00 0.00 *192 A 8.19 4.40 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 0.00 193 C 8.20 5.02 0.00 2.74 2.77 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 0.00 194 F 9.24 5.01 0.00 2.89 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 0.00 195 G 7.84 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 8.01 5.29 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 R 9.23 4.24 0.00 1.89 2.01 0.00 3.36 0.00 0.00 3.71 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 198 N 9.17 5.27 0.00 2.68 2.80 0.00 0.00 6.93 5.12 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 0.00 199 Q 7.97 4.60 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 200 E 8.36 4.08 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 201 I 7.76 2.08 1.59 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 1.17 0.26 0.60 0.00 0.00 202 T 6.60 3.86 4.30 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 1.21 0.00 0.00 203 P 0.00 4.35 0.00 2.00 1.94 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 204 K 8.48 4.17 0.00 1.76 1.72 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.24 7.81 205 T 8.30 4.56 4.14 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 1.16 0.00 0.00 206 R 8.15 4.62 0.00 1.77 1.85 0.00 3.41 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 207 W 8.46 4.54 0.00 3.29 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 0.00 208 K 8.80 4.33 0.00 1.94 1.95 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.58 7.81 209 T 8.89 4.00 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 1.28 0.00 0.00 210 E 8.24 4.09 0.00 1.96 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 2.35 2.42 0.00 211 V 7.94 3.61 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 -0.16 0.00 0.00 0.87 0.00 0.00 212 I 7.55 4.40 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.99 0.00 0.00 213 Y 7.54 4.83 0.00 2.84 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 0.00 214 E 7.75 4.30 0.00 1.76 1.56 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 2.03 2.15 0.00 215 V 7.84 3.82 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 0.84 0.00 0.00 0.84 0.00 0.00 216 I 8.36 3.86 1.83 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 1.22 0.59 0.88 0.00 0.00 217 E 8.81 4.13 0.00 2.11 1.76 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.