NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6677 8.1933 116.7624 58.4754 65.3691 172.0297 3 R 4.6147 8.9899 121.8520 54.9698 31.6852 173.9974 4 I 4.9112 8.9121 124.8407 59.3393 40.9266 173.8712 5 L 4.9852 8.7161 128.6243 53.3848 44.1809 174.7513 6 A 4.9581 9.1203 129.5425 50.3900 21.0641 175.4193 7 V 4.3001 8.5293 123.9402 62.1970 33.2451 174.3045 8 H 5.3708 8.7622 125.4956 53.7402 29.9338 175.4941 9 A 4.4827 8.5859 124.4148 51.9762 20.8906 176.9774 10 S 4.0476 7.8230 111.1428 57.4281 63.0473 173.2355 11 P 4.4498 0.0000 0.0000 64.2439 31.5398 177.1125 12 R 4.3770 7.6436 116.9609 55.4770 32.6990 176.0892 13 G 3.6342 8.8888 110.6595 46.5072 0.0000 175.9679 14 E 3.9682 9.4757 121.0796 59.4219 30.2547 178.3625 15 R 4.0486 7.8088 115.2172 57.3753 30.7143 176.8855 16 S 4.2179 7.9509 114.3097 57.9777 62.9573 174.1931 17 Q 3.9967 8.6718 131.0430 59.1578 28.9860 177.9870 18 S 4.0836 7.9391 115.0574 61.2250 63.2308 176.3114 19 R 3.7566 8.1523 122.4910 59.0305 29.8734 178.3899 20 R 3.8635 7.8995 118.4390 59.5411 30.2256 178.4028 21 L 4.0112 8.1724 118.6594 57.8785 41.6378 179.4805 22 A 4.0944 8.0861 120.6670 55.1695 18.3125 179.4860 23 E 4.1046 8.4221 117.0789 59.0588 29.5327 179.5856 24 V 3.6254 7.9007 118.7814 65.8672 31.5240 177.8424 25 F 4.1538 8.2367 120.1312 61.3828 39.2748 177.1630 26 L 3.9046 8.2449 118.4584 57.6321 41.2635 179.4150 27 A 3.9775 8.2169 120.6132 55.0170 18.2253 179.5682 28 A 3.8815 7.9125 119.3670 55.4148 18.5583 179.2749 29 Y 3.6812 8.0501 118.4490 60.7812 38.6003 178.3737 30 R 4.0138 8.2164 118.9777 59.1962 29.8501 178.8986 31 E 4.0205 7.6233 117.6252 58.9385 29.6247 178.4433 32 A 4.2283 7.3862 118.4660 52.9401 19.9254 177.7515 33 H 4.6722 7.4996 114.2079 53.3031 30.1534 172.1934 34 P 4.4665 0.0000 0.0000 64.1042 31.6434 177.4666 35 Q 4.4881 7.8748 114.8245 55.2993 29.0075 175.3382 36 A 4.3037 7.8055 120.3676 52.4279 19.2897 177.7838 37 R 4.6907 8.2043 118.3000 54.3155 33.1355 175.2671 38 V 4.8487 8.5033 122.4481 60.9788 34.2934 174.1784 39 A 4.8418 9.0805 129.5029 50.1846 21.6651 175.0539 40 R 4.9291 8.6236 121.0080 54.2991 32.7827 175.5453 41 R 4.4444 8.9493 124.7648 54.3969 32.4121 174.0312 42 E 4.4994 8.7714 128.5905 55.7357 30.1287 176.1270 43 V 4.3365 8.9119 118.6840 61.2519 33.3975 177.2221 44 G 3.8702 8.2568 109.2624 46.6133 0.0000 176.0111 45 R 4.2710 8.5270 117.1036 56.1922 30.5770 176.7785 46 V 4.4958 7.2406 116.8414 59.9696 34.6029 173.0561 47 P 4.4309 0.0000 0.0000 62.4000 31.8608 175.6649 48 L 4.7484 8.2319 122.6645 51.8112 43.5790 174.7343 49 P 4.2683 0.0000 0.0000 62.7079 31.7430 176.1561 50 A 4.1658 8.2421 123.8977 51.2902 19.2060 177.3953 51 V 3.2156 8.0331 120.0577 63.1658 32.0966 176.2888 52 T 4.6455 8.1868 116.7912 59.7125 72.7305 174.8360 53 E 4.0281 8.6297 120.1693 59.2151 29.6349 178.3606 54 A 4.0544 8.0355 120.6631 54.9629 18.4746 179.0817 55 F 4.0147 8.2687 119.2660 61.4932 39.4603 177.5103 56 V 3.9380 8.2404 117.6357 66.1821 31.1413 177.8973 57 A 4.0703 8.0383 119.1956 54.9099 18.4440 179.2454 58 A 4.0824 7.9959 118.9330 55.2282 18.4224 179.8195 59 A 3.6309 7.9579 119.4958 54.4590 18.4817 178.3295 60 F 4.7176 7.9606 112.6345 57.2791 38.2461 175.2487 61 H 4.1182 7.8806 121.7187 56.0909 29.8036 174.5294 62 P 4.5925 0.0000 0.0000 65.0205 32.0429 176.5656 63 Q 4.5653 7.7678 115.7983 52.8028 29.2386 173.7035 64 P 4.0421 0.0000 0.0000 65.3219 31.7487 179.1913 65 E 4.0405 8.0514 115.3124 58.1639 29.6357 177.1643 66 Q 4.3996 7.7488 117.6709 55.3382 29.2987 175.9828 67 R 3.8643 7.3208 118.1523 56.5718 30.7229 177.4189 68 S 4.4456 8.4299 117.0497 57.7733 65.4065 175.3034 69 L 3.9780 8.4077 121.4576 57.9097 41.3878 179.6917 70 A 4.0230 7.9211 120.2508 55.3971 18.1743 179.4576 71 M 4.2070 7.6575 116.2082 58.7061 32.2434 178.7262 72 Q 4.0812 8.2397 117.9840 58.8116 28.8893 178.7211 73 A 4.0500 8.0092 121.9998 55.1802 18.1885 179.3944 74 D 4.5039 7.9378 116.1601 56.4023 41.0355 177.8318 75 L 4.6461 7.3908 117.3969 54.2165 42.0763 178.0132 76 A 3.9597 7.6851 122.7597 55.2041 18.3076 179.9445 77 L 3.9073 7.9233 118.3175 58.3320 42.1503 178.7184 78 S 4.1319 8.2250 112.5498 61.7559 62.2953 175.7437 79 D 4.3168 8.3956 121.6252 57.3205 40.5756 178.6354 80 Q 3.9715 8.0921 119.9750 59.2344 28.9937 178.3367 81 L 4.1378 8.2365 120.2729 57.8665 41.5863 179.6831 82 V 3.7397 8.2520 118.7163 65.8609 31.4492 178.2505 83 G 3.6614 8.3229 105.5784 47.9690 0.0000 175.4451 84 E 4.0890 8.0333 119.9002 59.0663 29.8566 179.0020 85 L 4.2341 7.8504 120.5473 58.2399 41.9992 178.9938 86 F 3.9260 8.5101 117.0064 60.3383 38.9252 176.4648 87 D 4.7718 8.2193 115.8116 53.6967 41.1049 176.1634 88 S 4.8944 7.1630 113.8742 56.7120 65.7652 173.4213 89 D 4.6909 9.0421 121.5663 55.1976 43.0675 176.2127 90 L 5.0714 7.7374 120.4733 53.0078 45.0400 174.7652 91 L 4.9765 8.8927 129.2577 53.5966 44.1084 174.9607 92 V 4.6698 8.8137 127.0591 61.2403 33.9489 174.0560 93 I 4.8316 8.4663 129.6620 59.4695 39.5930 174.7150 94 S 5.2516 8.5440 122.3602 57.0301 65.4373 173.1669 95 T 4.6122 8.5438 116.4527 60.3964 70.9671 171.2177 96 P 4.8579 0.0000 0.0000 62.4546 32.7533 175.3398 97 M 4.3933 8.2975 122.0748 54.8780 32.9821 175.1810 98 Y 4.5906 8.8914 125.4200 57.0842 39.5252 175.9948 99 N 3.6112 9.3120 125.0150 54.3545 36.3257 174.8489 100 F 3.9104 7.4299 111.1747 58.1229 37.6522 175.2286 101 S 4.6380 7.7981 116.2755 57.7364 64.0119 173.1076 102 V 4.5597 7.9895 111.6076 58.7389 34.0945 173.7410 103 P 4.4476 0.0000 0.0000 62.8745 31.9018 178.0172 104 S 4.2877 8.7806 115.9668 61.4327 62.8014 177.0164 105 G 3.7529 8.0050 110.5680 47.0817 0.0000 175.3100 106 L 4.1683 7.9245 122.2142 57.6348 42.1350 178.8016 107 K 4.1645 8.1853 119.1182 59.6230 31.9245 178.4694 108 A 4.0290 8.0049 119.9711 54.6325 18.5484 179.1158 109 W 4.2749 8.2883 126.9901 60.8293 30.9346 178.0812 110 I 3.4605 8.1933 119.6652 64.7103 36.4192 178.1638 111 D 4.4663 8.0805 117.7959 56.8177 40.6211 178.1998 112 Q 4.1588 7.6411 118.2179 57.2794 29.0713 176.5792 113 I 3.9270 7.0850 110.5696 60.6548 38.5526 175.7817 114 V 4.0678 7.4479 121.5452 61.9322 30.6005 174.9316 115 R 4.6191 9.0374 126.7140 53.5932 32.7804 175.3664 116 L 2.8890 8.0208 124.9205 56.0424 42.3855 177.7971 117 G 3.7389 8.5259 113.8472 45.7720 0.0000 173.3001 118 V 4.1412 7.2386 116.3754 64.1625 33.3732 176.2326 119 T 4.8516 7.9974 107.4714 61.4802 70.4899 173.0400 120 F 5.2676 7.5900 116.2849 56.1103 41.3775 172.2547 121 D 5.1760 9.3111 119.3411 52.5615 45.4649 173.8161 122 F 5.5062 8.3985 115.0320 55.4166 40.0930 174.7749 123 V 4.0828 9.1818 119.3224 62.6012 33.6124 175.0905 *130 Q 4.1441 7.9080 117.9542 55.7908 29.9462 174.5900 131 F 5.4571 8.8991 123.1157 56.9606 40.6794 175.5069 132 R 4.8487 9.0935 117.6759 53.8823 32.9269 172.7930 133 P 4.7401 0.0000 0.0000 63.1032 31.9528 175.8439 134 L 4.7180 8.4465 119.3457 54.5049 44.1961 176.5001 135 L 4.2307 8.0525 120.7812 53.7795 42.7949 176.4418 136 R 4.6572 8.1590 121.7603 55.7187 34.0302 175.3241 137 G 3.8936 9.0877 108.5812 45.2848 0.0000 172.9969 138 K 4.9084 7.5867 117.1985 54.4498 34.9057 175.5794 139 R 4.9559 8.7238 120.4218 54.4273 34.3613 174.5174 140 A 5.1569 8.8586 121.5626 50.1211 23.0688 174.8506 141 L 4.9130 8.9603 123.0793 53.3021 44.9864 175.1636 142 I 4.6383 8.8395 128.2530 59.8085 39.1904 174.9275 143 V 4.5715 8.7702 128.8348 61.5456 32.9794 174.3684 144 T 5.7913 8.9538 122.7015 59.2822 71.0522 172.5965 145 S 5.2795 8.4989 120.2028 56.7178 66.3414 172.8542 146 R 4.7652 8.9507 119.8671 54.4529 33.9063 176.6151 147 G 3.5338 9.0243 109.7325 49.0002 0.0000 173.6734 148 G 4.4248 7.9068 109.4028 44.1733 0.0000 171.6944 149 H 5.1838 8.4306 114.9593 55.1440 32.3902 173.4783 150 G 3.7683 9.0910 107.5608 46.5438 0.0000 175.0279 151 F 4.4885 8.6299 117.3841 57.4375 39.5928 176.4140 152 G 4.0288 7.7074 110.5845 43.2053 0.0000 171.0118 153 P 4.2962 0.0000 0.0000 64.1770 31.4118 177.4915 154 G 3.9171 8.9279 110.2437 45.5809 0.0000 174.1527 155 G 3.8000 7.9679 109.3560 44.7468 0.0000 174.8225 156 E 3.9127 8.6679 121.3526 58.3127 29.9976 177.4783 157 N 4.8507 8.2201 115.1893 52.7310 39.3897 176.0981 158 Q 4.1559 7.9213 122.7894 59.2637 29.1191 178.5914 159 A 4.1679 7.8707 118.9091 54.4602 18.6318 177.8510 160 M 4.1113 7.9429 114.3553 56.4468 32.3930 176.1357 161 N 4.7042 7.9310 117.6489 53.6162 38.1041 173.7639 162 H 4.9374 8.8665 123.7022 55.4595 29.3756 175.5110 163 A 4.3957 8.1556 123.8664 54.0383 19.4152 180.0625 164 D 4.4771 8.3099 116.0394 54.9854 40.2698 177.2360 165 P 4.2981 0.0000 0.0000 65.0167 31.3702 178.3316 166 W 4.1977 8.2832 126.9791 60.3766 30.6549 177.8187 167 L 3.1151 7.9862 118.9169 57.5201 40.9044 179.6845 168 R 3.8198 7.9611 117.8988 59.5173 30.1032 179.2344 169 T 3.7764 7.4026 115.2618 66.5667 68.5102 176.6956 170 A 3.8031 7.4052 122.5467 55.0706 18.3553 179.7277 171 L 4.0359 7.9959 117.9484 57.7883 41.5950 180.0036 172 G 3.6141 8.3216 106.0440 47.6338 0.0000 175.4245 173 F 4.2265 7.9887 122.2410 60.5597 39.6900 176.3084 174 I 4.3218 7.3000 109.8009 60.1702 37.7909 176.3686 175 G 4.2519 7.2161 106.7859 46.3980 0.0000 174.9482 176 I 4.0813 7.6280 121.7358 60.3486 35.6357 174.8683 177 D 4.7476 8.3207 122.0551 53.0325 40.7641 176.8747 178 E 4.4682 8.0808 120.5535 55.0139 29.5491 173.8317 179 V 4.8504 8.0163 122.4443 61.0233 34.8142 174.2273 180 T 4.6420 8.7242 123.7676 61.6671 71.5454 172.9749 181 V 4.7345 8.4193 125.7133 61.0698 33.7977 174.5768 182 V 4.4038 8.7719 128.1383 61.1192 33.4847 173.9042 183 A 5.3444 8.7323 129.1804 50.0201 21.7334 175.1249 184 A 4.6097 8.9098 123.6246 50.4916 21.0848 175.6917 185 E 4.4770 8.2911 120.7736 56.0428 31.9614 174.5198 186 G 3.6164 8.4744 110.9077 46.6866 0.0000 173.7496 *199 D 4.5575 7.7594 114.0476 52.2834 41.8331 178.3350 200 E 3.9410 8.3902 121.3967 60.1976 29.4079 178.4998 201 A 3.9847 7.9624 120.3197 55.1524 18.5451 178.9252 202 E 3.8928 8.2154 117.2508 59.7854 29.6974 178.9988 203 Q 4.0362 8.0604 117.7843 58.8709 28.7764 178.5843 204 R 3.9339 8.1942 119.8248 59.5520 30.1139 178.6469 205 L 4.1587 8.2917 118.9315 57.6675 41.4068 179.3732 206 L 4.0451 7.9502 117.9501 57.8089 41.7454 179.0755 207 A 4.1813 8.1254 120.6620 55.2262 18.1759 179.7081 208 L 4.0592 8.0536 117.2544 57.9402 41.5070 179.5980 209 A 4.1870 8.2417 119.6583 54.8492 18.3104 179.4400 210 R 4.0422 7.7692 116.2950 57.8886 30.2821 176.7876 211 S 4.4374 7.7668 117.7199 58.2422 63.2072 173.7623 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 S 8.19 4.67 0.00 3.94 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 3 R 8.99 4.61 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 4 I 8.91 4.91 1.84 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 0.90 0.71 0.91 0.00 0.00 5 L 8.72 4.99 0.00 1.80 1.54 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.12 4.96 1.10 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 7 V 8.53 4.30 1.45 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 0.10 0.00 0.00 0.02 0.00 0.00 8 H 8.76 5.37 0.00 3.23 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.59 4.48 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 10 S 7.82 4.05 0.00 3.77 3.67 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 11 P 0.00 4.45 0.00 2.14 2.14 0.00 3.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 12 R 7.64 4.38 0.00 1.84 1.86 0.00 3.16 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 13 G 8.89 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 14 E 9.48 3.97 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 2.31 2.28 0.00 15 R 7.81 4.05 0.00 1.80 1.98 0.00 3.37 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 S 7.95 4.22 0.00 4.03 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 17 Q 8.67 4.00 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 18 S 7.94 4.08 0.00 4.19 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.15 3.76 0.00 1.80 1.90 0.00 3.19 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.28 0.00 20 R 7.90 3.86 0.00 2.01 2.10 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 21 L 8.17 4.01 0.00 1.77 1.72 0.92 1.33 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 22 A 8.09 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.42 4.10 0.00 2.17 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 2.50 2.43 0.00 24 V 7.90 3.63 2.34 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 1.04 0.00 0.00 1.04 0.00 0.00 25 F 8.24 4.15 0.00 3.24 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 26 L 8.24 3.90 0.00 1.81 1.74 1.03 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.22 3.98 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 28 A 7.91 3.88 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 29 Y 8.05 3.68 0.00 2.32 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 30 R 8.22 4.01 0.00 2.14 1.97 0.00 3.19 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 31 E 7.62 4.02 0.00 1.98 1.94 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 2.30 2.54 0.00 32 A 7.39 4.23 0.92 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 0.00 0.00 33 H 7.50 4.67 0.00 2.91 3.06 0.00 5.82 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.47 0.00 2.02 2.09 0.00 3.66 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 35 Q 7.87 4.49 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 36 A 7.81 4.30 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 37 R 8.20 4.69 0.00 1.81 1.84 0.00 3.25 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 38 V 8.50 4.85 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 0.80 0.00 0.00 0.96 0.00 0.00 39 A 9.08 4.84 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 40 R 8.62 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0.00 0.00 115 R 9.04 4.62 0.00 1.83 1.68 0.00 3.34 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 116 L 8.02 2.89 0.00 1.22 1.02 1.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.53 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.24 4.14 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 0.75 0.00 0.00 0.87 0.00 0.00 119 T 8.00 4.85 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 1.39 0.00 0.00 120 F 7.59 5.27 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 0.00 121 D 9.31 5.18 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 5.51 0.00 2.41 3.35 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 0.00 123 V 9.18 4.08 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 0.79 0.00 0.00 0.85 0.00 0.00 *130 Q 7.91 4.14 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 131 F 8.90 5.46 0.00 3.16 2.93 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 0.00 132 R 9.09 4.85 0.00 1.84 2.00 0.00 2.78 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 133 P 0.00 4.74 0.00 2.06 2.16 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 134 L 8.45 4.72 0.00 1.68 1.77 0.90 0.97 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 0.00 135 L 8.05 4.23 0.00 1.92 1.47 0.64 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.16 4.66 0.00 1.67 1.72 0.00 3.19 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 137 G 9.09 3.89 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 0.00 0.00 0.00 138 K 7.59 4.91 0.00 1.57 1.67 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.41 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.32 7.81 139 R 8.72 4.96 0.00 1.71 1.75 0.00 3.07 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 140 A 8.86 5.16 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 0.00 141 L 8.96 4.91 0.00 1.42 1.18 0.76 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.84 4.64 1.82 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 1.04 0.55 0.87 0.00 0.00 143 V 8.77 4.57 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 0.96 0.00 0.00 0.78 0.00 0.00 144 T 8.95 5.79 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 1.20 0.00 0.00 145 S 8.50 5.28 0.00 3.98 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 0.00 146 R 8.95 4.77 0.00 1.76 1.72 0.00 3.37 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 147 G 9.02 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.91 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.43 5.18 0.00 3.06 3.17 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 9.09 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 0.00 0.00 0.00 151 F 8.63 4.49 0.00 3.27 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 0.00 152 G 7.71 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.30 0.00 2.06 2.04 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 154 G 8.93 3.92 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 0.00 0.00 0.00 155 G 7.97 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.67 3.91 0.00 1.88 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 2.22 2.29 0.00 157 N 8.22 4.85 0.00 1.94 2.32 0.00 0.00 6.31 7.11 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 0.00 158 Q 7.92 4.16 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 159 A 7.87 4.17 1.28 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 0.00 0.00 0.00 160 M 7.94 4.11 0.00 1.94 2.55 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 161 N 7.93 4.70 0.00 3.07 2.99 0.00 0.00 7.43 7.95 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 0.00 162 H 8.87 4.94 0.00 3.42 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.16 4.40 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.31 4.48 0.00 2.89 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 0.00 165 P 0.00 4.30 0.00 2.25 2.18 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 166 W 8.28 4.20 0.00 3.46 3.61 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 0.00 167 L 7.99 3.12 0.00 1.89 1.55 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.96 3.82 0.00 2.06 1.94 0.00 3.12 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 1.61 1.82 0.00 169 T 7.40 3.78 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 1.19 0.00 0.00 170 A 7.41 3.80 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 0.00 171 L 8.00 4.04 0.00 1.65 1.80 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 172 G 8.32 3.61 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 0.00 0.00 0.00 173 F 7.99 4.23 0.00 3.00 3.18 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 0.00 174 I 7.30 4.32 1.98 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 1.70 0.72 1.05 0.00 0.00 175 G 7.22 4.25 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 0.00 176 I 7.63 4.08 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 1.31 0.58 0.89 0.00 0.00 177 D 8.32 4.75 0.00 2.62 2.73 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 0.00 178 E 8.08 4.47 0.00 1.92 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 2.32 2.27 0.00 179 V 8.02 4.85 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 0.77 0.00 0.00 0.89 0.00 0.00 180 T 8.72 4.64 4.17 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 1.18 0.00 0.00 181 V 8.42 4.73 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 0.81 0.00 0.00 0.91 0.00 0.00 182 V 8.77 4.40 2.02 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 0.89 0.00 0.00 0.89 0.00 0.00 183 A 8.73 5.34 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 0.00 184 A 8.91 4.61 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 0.00 185 E 8.29 4.48 0.00 1.90 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 0.00 2.31 2.20 0.00 186 G 8.47 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 0.00 0.00 0.00 *199 D 7.76 4.56 0.00 2.91 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 0.00 200 E 8.39 3.94 0.00 2.05 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 2.39 0.00 201 A 7.96 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.22 3.89 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 203 Q 8.06 4.04 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 204 R 8.19 3.93 0.00 1.94 2.22 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 205 L 8.29 4.16 0.00 1.98 1.90 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.95 4.05 0.00 1.83 1.76 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 207 A 8.13 4.18 1.41 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 0.00 0.00 0.00 208 L 8.05 4.06 0.00 2.14 1.99 0.90 0.91 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 0.00 209 A 8.24 4.19 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 0.00 210 R 7.77 4.04 0.00 1.95 1.99 0.00 3.12 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 211 S 7.77 4.44 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.