NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5402 8.2549 119.6562 55.6356 31.4517 174.8933 3 L 4.0324 8.4015 122.6203 53.1984 42.7657 175.6465 4 C 4.5405 8.5314 118.7497 57.4804 31.5409 173.9067 5 D 4.3930 8.9909 119.7744 56.8191 38.5573 179.0219 6 R 3.9587 8.0135 117.5210 59.1125 29.4837 178.3868 7 D 4.4737 8.1249 119.2088 56.6211 40.8185 178.6111 8 I 3.5803 8.1450 121.0617 64.4554 37.1001 178.2261 9 E 3.9787 8.2986 119.0690 59.3850 29.2535 179.1557 10 A 4.0754 8.3834 121.0032 55.2167 18.4669 179.8025 11 W 3.9591 8.4250 117.0352 59.7564 28.8487 178.8487 12 L 4.2223 7.8224 118.3211 57.7990 41.0860 179.0536 13 D 4.4752 8.3246 118.5522 57.3934 40.9309 178.2132 14 E 3.9957 8.0934 118.6498 57.4455 29.6610 177.8155 15 G 3.9250 7.9381 106.2109 44.9011 0.0000 174.3675 16 R 3.7882 7.2519 117.5086 59.8136 30.5391 176.3127 17 L 4.4969 7.6488 121.4978 55.4442 43.4742 175.8116 18 S 4.7273 8.6652 117.7575 57.0064 66.2591 172.7393 19 I 5.1619 8.3491 126.3263 59.7440 40.9171 174.3950 20 N 5.0735 9.3417 123.9225 50.7066 42.1002 172.3583 21 P 4.6562 0.0000 0.0000 62.2431 32.6684 176.2507 22 R 4.1093 8.4497 122.4057 55.5076 30.4638 174.7438 23 P 4.4193 0.0000 0.0000 61.5419 32.2969 174.3515 24 P 4.5529 0.0000 0.0000 62.1954 32.2186 177.3401 25 V 3.6788 8.3050 117.2186 65.7236 31.4527 177.5502 26 E 4.0814 8.2100 116.5053 58.3051 29.8400 177.5193 27 R 4.4757 7.9983 117.3283 55.6266 30.5208 175.1720 28 I 4.9683 7.5085 119.5213 59.8053 39.1180 174.5244 29 N 5.0869 8.6095 121.2409 52.9733 41.9005 177.3767 30 G 3.9603 9.7352 111.3891 46.5702 0.0000 174.7032 31 A 5.1705 9.3152 116.3922 50.3768 21.3137 177.9184 32 T 4.9588 8.4482 107.7809 61.7983 73.2047 172.5421 33 V 4.9442 8.6134 122.4956 61.0813 33.9886 174.6968 34 D 5.0175 8.8960 128.2104 54.5748 41.5458 176.1253 35 V 4.7019 8.8654 114.9423 59.7388 35.8866 174.8184 36 R 4.9861 9.3275 121.1693 54.1562 34.0657 174.8168 37 L 4.4251 8.3630 122.8331 54.9413 43.4899 177.2636 38 G 3.8903 8.6622 115.0995 45.6673 0.0000 173.8528 39 N 5.4679 8.6931 119.8909 52.2443 39.2990 173.7066 40 K 5.2881 7.5915 118.6613 55.2040 35.4154 175.0202 41 F 5.0083 9.0527 120.8783 56.4367 44.2374 173.6204 42 R 5.0617 8.9842 118.8030 55.0624 34.5982 174.6927 43 T 4.9241 8.5032 113.0185 60.0201 71.9647 172.9695 44 F 5.0934 8.8912 119.1158 55.9674 41.3921 176.4077 45 R 4.6313 8.8076 123.7513 53.9978 30.1150 176.6509 46 G 3.6956 8.3567 111.8512 48.1240 0.0000 173.0361 47 H 4.3502 8.2373 114.6303 57.9069 28.5909 175.9802 48 T 4.3096 7.2916 108.8588 61.7205 69.1770 174.0936 49 A 4.6365 7.5748 123.3704 51.1084 22.4341 176.2175 50 A 4.3172 8.6388 122.8889 54.6254 19.1452 177.4911 51 F 4.6936 7.3295 107.4870 56.7250 39.9860 172.8145 52 I 4.0196 8.3356 121.3488 59.3600 39.0550 175.6579 53 D 4.7429 8.0726 125.7101 52.8285 40.0096 176.2206 54 L 4.0235 8.5623 127.0660 57.0357 41.8488 178.5018 55 S 4.6345 7.8645 110.3923 57.7599 62.4567 173.5553 56 G 4.0821 7.6512 108.4739 42.5039 0.0000 172.6095 57 P 4.2504 0.0000 0.0000 62.7637 32.7375 177.3647 58 K 3.8961 8.7772 122.7574 59.6202 32.2240 178.7563 59 D 4.2915 7.9841 118.7958 56.5491 39.4249 177.9772 60 E 3.8738 8.1502 119.9969 58.9797 29.5262 179.1421 61 V 3.5282 7.5848 117.6070 66.3964 31.4650 178.3368 62 S 4.0962 8.0590 114.3133 61.4471 62.5409 176.4561 63 A 3.9451 7.8807 122.8559 55.1384 18.1471 179.5204 64 A 3.9027 8.0672 119.1752 55.3332 18.2383 179.8112 65 L 3.9902 7.7857 116.2433 58.1980 41.7790 179.3136 66 D 4.4953 8.2002 117.9379 57.2298 40.7462 178.7055 67 R 4.1408 7.5924 118.0321 58.4869 31.7682 178.7128 68 V 4.1407 7.6911 113.9687 59.4756 28.0560 174.9839 *70 S 4.4626 7.0331 113.3763 57.4942 64.6481 174.0936 71 D 4.4161 8.4924 120.3863 54.4077 41.0248 176.4030 72 E 4.1923 8.7402 123.8402 57.1006 30.5699 175.8396 73 I 4.5076 8.9932 127.4861 59.7574 39.4127 174.5987 74 V 4.9113 8.4943 127.2388 61.1178 33.2829 174.5980 75 L 4.6510 8.7006 129.0564 53.5501 42.0024 177.6345 76 D 4.7880 9.2175 131.0055 54.1348 40.2064 176.4481 77 E 3.9833 9.0987 127.0283 58.3061 30.5788 177.5675 78 G 4.0700 8.3728 117.1074 46.5717 0.0000 172.7656 79 E 4.4976 7.4956 118.4598 54.8179 31.6607 176.1971 80 A 4.7860 8.1084 122.7051 50.1530 21.9941 175.5002 81 F 4.2124 8.5519 122.7167 56.6040 41.3298 174.3327 82 Y 4.6280 7.7787 124.4130 56.6241 38.6355 175.3451 83 L 4.4573 8.6384 128.8970 54.4245 42.9906 175.4143 84 H 4.8539 8.6760 123.9995 53.8824 30.6856 173.4063 85 P 4.2252 0.0000 0.0000 64.6238 31.5448 176.7122 86 G 4.1402 8.5872 110.1990 45.0790 0.0000 172.5379 87 E 4.7784 7.6734 119.3254 54.1718 31.9932 174.8672 88 L 5.1888 8.8244 126.6839 54.3791 43.4152 175.3446 89 A 5.2641 9.1523 126.1086 50.6574 23.4776 174.5724 90 L 5.0658 9.0124 119.2268 53.6193 44.4959 176.2964 91 A 4.6033 8.6196 122.5400 50.6481 22.7284 175.0064 92 V 4.8126 7.5626 113.0534 60.4197 35.0619 174.7317 93 T 4.4300 8.4667 112.6545 61.5603 69.1732 174.6087 94 L 4.1229 8.5690 125.9744 58.3378 42.6986 177.5033 95 E 4.4779 8.0471 117.5560 56.0735 30.3492 176.7192 96 S 4.6184 9.0275 119.7541 57.9966 63.9810 172.8465 97 V 5.0025 8.8444 126.0318 61.4605 34.9949 174.2732 98 T 5.0672 9.0907 123.2356 61.9581 71.8554 172.8364 99 L 5.1049 9.0281 127.1506 52.3875 44.0889 175.0242 100 P 5.0554 0.0000 0.0000 62.0875 33.3303 176.3807 101 A 4.2362 8.8261 120.1516 53.5139 19.4807 178.4195 102 D 5.2237 7.7360 115.8364 52.7683 40.8820 175.7318 103 L 5.2737 7.9180 120.2077 54.2880 45.8563 174.7173 104 V 4.5774 8.8827 125.0528 59.7989 34.5134 174.7388 105 G 4.2252 8.5401 109.7050 44.2038 0.0000 171.9431 106 W 5.4002 8.2823 119.8126 54.5584 33.3099 174.0320 107 L 4.8350 8.7853 127.7143 54.1632 42.5397 175.5674 108 D 4.9583 9.1865 126.5354 52.2862 43.5725 176.4452 109 G 4.2632 8.5040 115.2755 45.8671 0.0000 174.4862 110 R 4.6963 8.2312 120.9767 53.4200 35.5885 175.6647 111 S 4.0858 8.6922 116.1900 61.7605 62.2305 176.8721 112 S 4.1910 8.0088 116.5498 61.0789 62.8723 175.8983 113 L 4.2272 7.7187 120.9854 57.1290 41.8125 178.5490 114 A 4.0403 8.2761 121.0705 55.3761 18.0895 179.3368 115 R 4.2017 7.8161 113.4982 57.4255 30.2616 177.2321 116 L 4.5287 7.6670 117.8222 54.1900 42.3997 177.3567 117 G 3.8409 8.3765 107.3614 45.4766 0.0000 173.9329 118 L 4.4988 7.3480 121.2688 54.1552 43.2355 176.7072 *120 V 4.3651 8.0396 111.9308 61.1051 33.1516 174.8297 121 H 4.9454 7.6535 113.4939 54.4649 30.5120 173.7359 122 V 4.0728 7.9853 119.1451 62.3166 31.5682 175.2922 123 T 3.5723 8.2678 119.7263 61.1434 67.7709 175.2056 124 A 4.3615 7.4513 126.7906 52.8754 20.7858 175.7086 125 H 4.8014 8.6380 115.2835 56.0772 31.0896 172.3450 126 R 3.8425 7.9382 119.3974 55.5086 31.1467 175.3978 127 I 3.7140 7.5653 127.7829 59.4045 38.9587 175.2283 128 D 4.7667 8.0196 127.3506 52.6867 42.5645 174.4160 129 P 4.9163 0.0000 0.0000 63.9967 31.1405 177.5471 130 G 4.0991 8.8469 109.9197 45.9638 0.0000 173.2276 131 W 4.3430 8.0347 130.3568 57.7755 30.0569 175.1516 132 S 4.4104 6.8481 118.9862 57.7950 63.8447 173.6044 133 G 4.1980 7.8623 117.5793 44.5063 0.0000 170.5446 134 C 4.9085 7.9899 117.8903 59.8567 29.0601 173.7421 135 I 4.3154 8.4152 122.7123 59.8635 38.5563 175.2419 136 V 4.0515 8.2403 127.7477 62.5733 32.2860 174.8609 137 L 4.3773 8.4503 128.0082 53.0128 43.7844 175.4711 138 A 4.8187 8.3110 125.7198 50.5013 19.9189 175.8639 139 F 5.0407 9.0095 121.1429 57.9697 41.0631 174.9112 140 Y 5.1230 8.5617 122.8330 56.1297 42.5054 173.1210 141 N 4.9022 7.8554 126.5093 52.6592 39.4262 175.0049 142 S 4.5101 9.0407 121.6877 58.7587 64.0827 175.1296 143 G 3.9906 8.0739 110.4631 45.0720 0.0000 173.0028 144 K 4.4039 8.5287 116.4802 56.1352 33.6071 176.2781 145 L 4.7861 7.4656 118.0062 51.7077 44.1480 174.3789 146 P 4.5671 0.0000 0.0000 62.9005 32.3595 175.6037 147 L 4.7834 8.7267 122.4749 52.8070 44.9184 175.4048 148 A 4.5285 8.6786 125.9810 51.1820 19.6104 176.2078 149 L 4.6005 8.7100 123.7390 53.2442 43.8588 175.9698 150 R 4.9497 8.4207 122.3848 53.3189 32.9246 174.0166 151 P 4.4348 0.0000 0.0000 63.5099 31.8418 176.9978 152 G 3.8084 8.7415 112.2249 46.1161 0.0000 172.2955 *154 L 4.2151 7.3335 117.2638 55.0754 43.0625 176.7356 155 I 4.3945 8.1843 123.3858 61.5184 40.5639 174.9005 156 G 4.2198 7.5569 105.8013 46.3988 0.0000 171.8869 157 A 5.2806 8.3924 119.9366 50.5240 23.1923 175.7136 158 L 5.1219 9.1696 120.2254 52.8071 44.8800 176.0003 159 S 4.9913 8.3185 116.6045 56.4649 66.8895 172.7683 160 F 5.2873 8.3690 117.6183 55.7856 43.4984 173.5641 161 E 4.8467 9.3275 123.2884 53.6506 32.3918 173.0402 162 P 4.8526 0.0000 0.0000 63.1786 32.0976 176.3086 163 L 4.6505 8.6040 123.8754 53.4050 42.7960 177.3173 164 S 4.2234 8.8192 115.0508 61.4534 63.0583 173.9107 165 G 4.1059 7.4134 107.2030 43.8414 0.0000 170.1841 166 P 4.5098 0.0000 0.0000 62.0103 31.8976 176.1785 167 A 4.1449 8.5058 126.3395 52.1796 18.8513 177.9355 168 V 3.7878 8.4600 122.2999 64.9549 32.4225 176.6227 169 R 4.6392 7.5689 117.3034 53.9020 29.8605 172.5516 170 P 4.6571 0.0000 0.0000 61.9918 33.0010 177.7415 171 Y 4.0625 8.8985 120.5235 60.5536 38.7165 177.0305 172 N 4.4868 8.0362 117.6986 54.9422 37.6429 176.6513 173 R 4.3275 7.7337 115.9885 56.5532 31.7582 176.5244 174 R 4.0247 7.5569 120.1119 55.8085 30.5101 177.0975 175 E 4.0167 8.7838 123.8221 58.6801 30.0759 177.0834 176 D 4.6280 7.8256 116.0372 52.5163 39.8015 175.9815 177 A 3.9429 7.1295 122.5767 52.5476 18.6036 178.4453 178 K 4.0707 8.5685 121.4879 57.6135 32.8169 176.9820 179 Y 5.0899 7.7870 115.5802 57.5757 38.9595 176.0298 180 R 3.8457 8.2110 118.1730 57.4008 31.0287 176.1335 181 N 3.9635 7.4849 114.0691 54.3130 36.1710 175.0746 182 Q 4.4525 7.5866 119.3616 55.2042 29.9021 175.0804 183 Q 4.6802 8.7344 122.3501 55.3200 31.2867 175.5290 184 G 3.8752 7.5853 106.6387 44.6971 0.0000 173.3921 185 A 4.1822 8.1464 119.0674 51.1285 16.8189 176.5966 186 V 3.7412 7.6069 119.9697 61.8944 32.6433 176.0777 187 A 4.3532 8.3207 129.7583 50.9879 19.4130 176.7783 188 S 4.4505 8.5367 114.0733 59.0744 62.9998 174.1398 189 R 4.9053 8.8788 125.0750 54.8120 30.6815 177.8440 190 I 3.7557 7.6992 121.5110 63.9706 37.9128 177.4163 191 D 4.3855 8.2262 119.2422 55.8691 39.1491 177.5779 192 K 4.4030 7.8600 117.5641 56.2595 32.2242 176.4259 193 D 4.5147 7.7123 125.2751 54.6705 40.6219 176.1082 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 R 8.25 4.54 0.00 1.70 1.93 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 3 L 8.40 4.03 0.00 1.53 1.45 -0.21 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.53 4.54 0.00 3.01 3.08 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 5 D 8.99 4.39 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.01 3.96 0.00 2.08 2.27 0.00 2.99 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 7 D 8.12 4.47 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.14 3.58 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 0.90 0.00 0.00 9 E 8.30 3.98 0.00 2.21 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 2.36 2.63 0.00 10 A 8.38 4.08 1.48 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 0.00 0.00 11 W 8.42 3.96 0.00 3.46 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 12 L 7.82 4.22 0.00 1.83 1.74 0.93 1.10 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 13 D 8.32 4.48 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 14 E 8.09 4.00 0.00 1.91 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 2.14 2.21 0.00 15 G 7.94 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 16 R 7.25 3.79 0.00 1.67 1.98 0.00 3.11 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 17 L 7.65 4.50 0.00 1.75 1.64 0.62 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.67 4.73 0.00 3.93 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 19 I 8.35 5.16 1.90 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 1.41 0.77 0.97 0.00 0.00 20 N 9.34 5.07 0.00 2.57 2.67 0.00 0.00 6.44 7.80 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 21 P 0.00 4.66 0.00 2.08 2.06 0.00 3.78 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 2.00 1.97 0.00 22 R 8.45 4.11 0.00 1.90 1.90 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 23 P 0.00 4.42 0.00 2.11 1.99 0.00 3.77 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 2.07 2.10 0.00 24 P 0.00 4.55 0.00 2.23 2.22 0.00 3.72 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 2.08 1.96 0.00 25 V 8.31 3.68 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 1.02 0.00 0.00 0.98 0.00 0.00 26 E 8.21 4.08 0.00 2.13 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 2.29 2.29 0.00 27 R 8.00 4.48 0.00 1.89 1.97 0.00 3.24 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 28 I 7.51 4.97 1.90 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 1.40 0.76 0.95 0.00 0.00 29 N 8.61 5.09 0.00 2.92 2.87 0.00 0.00 6.73 6.33 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 30 G 9.74 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 31 A 9.32 5.17 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 32 T 8.45 4.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 33 V 8.61 4.94 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.14 0.00 0.00 34 D 8.90 5.02 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.87 4.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 36 R 9.33 4.99 0.00 1.81 1.82 0.00 3.13 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 37 L 8.36 4.43 0.00 1.87 1.60 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.66 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 39 N 8.69 5.47 0.00 2.98 3.03 0.00 0.00 5.80 6.94 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 40 K 7.59 5.29 0.00 1.55 1.79 0.00 1.60 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 41 F 9.05 5.01 0.00 2.92 2.54 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 50 A 8.64 4.32 1.54 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 51 F 7.33 4.69 0.00 3.14 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 52 I 8.34 4.02 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.89 0.00 0.00 53 D 8.07 4.74 0.00 2.59 2.53 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 54 L 8.56 4.02 0.00 1.71 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.86 4.63 0.00 3.96 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 56 G 7.65 4.08 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 57 P 0.00 4.25 0.00 2.16 2.01 0.00 3.62 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 2.30 2.17 0.00 58 K 8.78 3.90 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.61 7.81 59 D 7.98 4.29 0.00 2.90 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 60 E 8.15 3.87 0.00 2.18 1.98 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 2.36 2.41 0.00 61 V 7.58 3.53 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 1.02 0.00 0.00 1.06 0.00 0.00 62 S 8.06 4.10 0.00 3.92 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 63 A 7.88 3.95 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 64 A 8.07 3.90 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 65 L 7.79 3.99 0.00 1.81 1.77 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.20 4.50 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 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0.00 3.11 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.23 0.00 2.01 2.16 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 86 G 8.59 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 0.00 0.00 0.00 0.00 87 E 7.67 4.78 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 88 L 8.82 5.19 0.00 1.82 1.56 1.16 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.15 5.26 1.50 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 0.00 0.00 90 L 9.01 5.07 0.00 1.50 1.48 0.93 0.74 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 91 A 8.62 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.56 4.81 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.35 4.50 0.00 1.53 1.70 0.74 0.71 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 *120 V 8.04 4.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 121 H 7.65 4.95 0.00 3.28 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.99 4.07 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 1.00 0.00 0.00 0.98 0.00 0.00 123 T 8.27 3.57 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 124 A 7.45 4.36 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 0.00 125 H 8.64 4.80 0.00 3.16 2.78 0.00 5.47 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.94 3.84 0.00 1.63 1.55 0.00 2.97 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 127 I 7.57 3.71 1.52 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.49 0.42 0.00 0.00 128 D 8.02 4.77 0.00 2.41 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 0.00 129 P 0.00 4.92 0.00 2.34 2.35 0.00 3.84 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 2.13 1.96 0.00 130 G 8.85 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 0.00 131 W 8.03 4.34 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.85 4.41 0.00 3.68 3.40 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 0.00 133 G 7.86 4.20 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 0.00 134 C 7.99 4.91 0.00 3.07 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 0.00 135 I 8.42 4.32 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.85 0.68 0.00 0.00 136 V 8.24 4.05 1.87 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 0.72 0.00 0.00 0.90 0.00 0.00 137 L 8.45 4.38 0.00 0.82 0.76 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.31 4.82 1.21 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 0.00 0.00 139 F 9.01 5.04 0.00 3.22 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 0.00 140 Y 8.56 5.12 0.00 3.12 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 0.00 141 N 7.86 4.90 0.00 2.71 2.61 0.00 0.00 6.52 7.51 0.00 0.00 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 9.04 4.51 0.00 4.05 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 0.00 143 G 8.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.40 0.00 1.73 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 145 L 7.47 4.79 0.00 1.56 1.53 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.57 0.00 1.88 1.74 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 147 L 8.73 4.78 0.00 1.47 1.45 0.90 0.55 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 0.00 148 A 8.68 4.53 1.06 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 0.00 0.00 149 L 8.71 4.60 0.00 1.59 1.61 0.49 0.45 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 0.00 150 R 8.42 4.95 0.00 1.65 1.81 0.00 3.21 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 151 P 0.00 4.43 0.00 1.98 2.08 0.00 3.75 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 152 G 8.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *154 L 7.33 4.22 0.00 1.69 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.18 4.39 1.97 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 1.53 1.03 1.04 0.00 0.00 156 G 7.56 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 0.00 0.00 0.00 0.00 157 A 8.39 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 9.17 5.12 0.00 1.35 0.79 1.00 0.56 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 0.00 159 S 8.32 4.99 0.00 3.81 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 0.00 160 F 8.37 5.29 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 9.33 4.85 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 162 P 0.00 4.85 0.00 2.04 2.11 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 163 L 8.60 4.65 0.00 1.70 1.65 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.82 4.22 0.00 4.01 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 0.00 165 G 7.41 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.51 0.00 2.22 2.11 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 167 A 8.51 4.14 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 0.00 168 V 8.46 3.79 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.57 4.64 0.00 1.82 1.85 0.00 3.28 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 170 P 0.00 4.66 0.00 2.44 2.26 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 171 Y 8.90 4.06 0.00 3.14 3.20 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 0.00 172 N 8.04 4.49 0.00 3.08 3.25 0.00 0.00 6.86 7.54 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 0.00 173 R 7.73 4.33 0.00 1.81 2.00 0.00 3.21 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 174 R 7.56 4.02 0.00 1.90 1.60 0.00 3.10 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 175 E 8.78 4.02 0.00 2.07 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 0.00 2.23 2.25 0.00 176 D 7.83 4.63 0.00 2.75 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 0.00 177 A 7.13 3.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.07 0.00 1.22 0.74 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 1.26 7.81 179 Y 7.79 5.09 0.00 3.47 3.42 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 0.00 180 R 8.21 3.85 0.00 1.74 1.77 0.00 3.24 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 181 N 7.48 3.96 0.00 2.81 2.87 0.00 0.00 6.85 7.57 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 0.00 182 Q 7.59 4.45 0.00 2.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 183 Q 8.73 4.68 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 184 G 7.59 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 0.00 185 A 8.15 4.18 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 0.00 186 V 7.61 3.74 2.16 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 1.03 0.00 0.00 1.00 0.00 0.00 187 A 8.32 4.35 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 0.00 188 S 8.54 4.45 0.00 3.95 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 0.00 189 R 8.88 4.91 0.00 1.66 1.73 0.00 2.99 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 190 I 7.70 3.76 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.95 0.00 0.00 191 D 8.23 4.39 0.00 2.85 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 7.86 4.40 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.35 7.81 193 D 7.71 4.51 0.00 2.81 2.59 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.