NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5695 8.1933 115.4307 57.2111 64.7272 174.3440 3 P 4.4439 0.0000 0.0000 65.3412 31.0256 177.6551 4 G 3.7172 9.8124 106.4618 47.9679 0.0000 175.4090 5 E 4.0976 8.2965 121.0483 59.0824 29.5771 179.6973 6 R 4.1179 8.4320 118.3296 59.3924 30.1383 178.9379 7 F 3.6747 8.5204 120.5099 60.8289 39.2235 176.9710 8 L 3.6080 8.1045 120.2128 57.9348 41.7882 178.4223 9 D 4.2609 8.1026 118.0523 56.9819 41.1766 178.0071 10 W 4.0301 7.9004 128.4191 60.5184 30.6210 177.9292 11 L 3.5998 7.6169 119.1434 57.5828 40.6231 179.7195 12 K 3.7747 7.7937 117.7623 59.2339 32.1775 179.1145 13 R 3.8521 7.9226 119.2397 59.0816 29.9421 178.3210 14 L 3.7620 7.5275 120.1528 58.2018 42.0054 178.8020 15 Q 2.9298 7.9977 119.4724 57.9437 28.5150 177.4483 16 G 3.7700 7.2792 104.1250 44.4523 0.0000 173.5361 17 Q 4.5475 7.2712 120.6121 53.9790 30.5136 176.7427 18 K 4.0232 8.4903 120.1434 59.2057 32.4965 177.5923 19 A 4.2972 7.9988 120.0239 52.7180 18.9841 178.6430 20 W 4.3744 8.3661 126.9664 60.8637 30.6986 177.6857 21 T 3.4989 8.0507 114.8087 66.8297 67.8693 176.1315 22 A 3.8329 7.7389 121.5082 54.7392 18.4748 179.4180 23 A 2.0000 7.3823 119.3829 54.6134 18.3144 179.7817 24 R 3.1959 7.2535 117.7374 59.1331 29.9098 178.4618 25 A 3.7992 7.4030 120.2435 55.0354 18.3435 179.5660 26 A 4.1195 7.6593 119.1556 55.3506 18.2907 179.9042 27 F 4.5957 7.9333 115.5289 60.8069 39.3404 177.5975 28 R 4.0570 8.6677 118.6744 59.5666 29.9366 178.6315 29 R 3.9086 8.0613 118.6189 59.0512 30.0512 178.3181 30 S 3.9238 7.8684 113.7811 60.5470 62.6684 176.1290 31 L 4.1598 7.6311 121.3667 56.9826 41.4095 178.1654 32 A 4.1419 7.8636 119.3303 52.1781 18.7538 176.6026 33 F 4.9151 7.4400 114.7291 54.2652 43.0360 173.1898 34 P 4.4677 0.0000 0.0000 61.8415 31.7250 174.6435 35 P 4.4811 0.0000 0.0000 64.4515 31.5951 176.9697 36 G 3.1153 8.8652 109.7831 45.5016 0.0000 173.3404 37 A 4.5054 7.8681 120.7652 51.5119 19.5883 176.0751 38 Y 4.2868 7.4907 120.4366 56.3327 39.8775 174.0786 39 P 4.0757 0.0000 0.0000 65.7542 31.4063 178.6228 40 R 3.8474 6.8350 114.0604 58.4874 30.7005 176.7719 41 A 4.6834 7.7817 123.0534 51.3846 18.0274 176.8692 *43 P 4.3558 0.0000 0.0000 62.5133 33.6652 177.9371 44 Y 4.7992 7.9399 113.8768 58.5157 38.8157 176.7365 45 V 4.3944 7.9154 118.2335 64.1294 33.3342 176.8034 46 E 4.0133 8.3236 117.7205 59.1368 29.1153 177.4098 47 P 4.2335 0.0000 0.0000 65.2076 31.6559 178.2246 48 F 3.4971 7.5284 119.0552 60.9480 39.4166 177.3323 49 L 3.9672 7.8811 118.1671 57.5648 41.0898 179.3364 50 A 4.1087 7.9653 120.1295 54.5359 18.3490 178.9695 51 K 4.2459 7.6567 115.2294 57.5532 32.4677 176.3042 52 G 3.7937 7.9092 107.1382 44.1745 0.0000 171.1733 53 D 4.6675 7.7381 118.6861 52.2127 42.0037 175.9751 54 W 5.2142 8.3706 123.0938 54.5155 32.9959 175.9267 55 R 4.5861 9.1082 119.6945 54.8781 32.3494 177.6380 56 Q 4.0447 8.6712 121.5811 59.7151 29.0958 178.8037 57 E 4.2755 8.1992 119.1519 59.0831 29.3590 178.8629 58 E 4.1097 8.1765 118.9538 59.0656 29.6881 179.2306 59 R 3.6582 8.0468 118.2458 59.3032 30.2349 178.8833 60 E 4.1685 8.5800 118.2920 59.3531 29.4190 179.3082 61 A 4.0985 7.8473 120.4125 55.4665 18.4278 179.4030 62 H 3.4507 7.7484 114.3327 58.9969 28.6201 177.6670 63 Y 3.9911 7.8916 118.5130 60.9190 37.6101 178.4976 64 L 4.0304 8.2843 121.4544 58.1699 42.1477 179.2033 65 V 3.6971 7.9892 118.0628 65.8975 31.4799 177.8525 66 A 3.5728 8.2507 120.4537 54.8431 18.0824 179.4986 67 A 4.1430 7.9142 119.2867 55.4503 18.6123 179.9562 68 L 4.1103 8.2918 117.6758 57.8343 41.6310 179.1111 69 Y 2.7034 8.2119 119.8808 60.1720 38.6061 177.9325 70 A 4.2088 8.2683 121.7868 55.1246 18.2963 179.1775 71 L 3.9981 7.8842 117.9044 57.9318 42.3493 178.4257 72 K 4.4053 7.9175 115.9860 54.9893 32.1217 176.1381 73 D 4.3826 9.1577 117.8278 55.3735 40.0677 174.1481 74 G 2.4523 8.0326 101.4289 45.3518 0.0000 175.4232 75 D 4.5844 7.5529 121.9150 53.6782 39.6429 172.7762 76 H 5.2446 8.2777 120.8245 55.2963 31.3736 174.1777 77 Q 4.5436 8.7717 126.0683 53.3643 30.4299 175.1672 78 V 3.8462 8.0412 123.5420 63.1957 31.7921 175.9568 79 G 3.9939 9.4003 112.2976 45.3748 0.0000 173.8040 80 R 4.1487 7.4868 120.9842 54.9194 28.6348 175.6931 81 T 4.1745 7.5914 114.0204 60.4403 71.1566 174.8337 82 L 3.6609 7.9527 122.9294 58.2335 41.9643 179.0611 83 A 3.8630 7.0632 120.0281 55.2165 18.3372 179.7150 84 R 3.7049 7.6417 115.8321 59.2403 30.1493 179.1653 85 A 3.9778 8.1907 120.9527 55.0392 18.2158 179.7425 86 L 3.9535 8.1907 118.0285 57.4856 41.1565 179.3786 87 W 3.2023 7.8473 128.3757 60.2241 30.2865 177.8727 88 E 3.6000 7.9387 117.3637 59.1981 29.0459 179.0141 89 K 3.9570 7.8375 119.3740 59.2246 32.3176 178.7183 90 A 4.1734 7.9362 121.0186 54.6582 17.9835 179.5082 91 Q 3.7419 7.0734 115.4667 58.1130 28.7337 178.0275 92 G 4.1462 7.3521 104.2983 44.0962 0.0000 174.1560 93 S 4.2909 7.6747 117.7937 56.2527 65.5259 174.5222 94 A 4.0524 8.7438 129.3865 55.1396 17.9487 179.0150 95 S 4.1941 8.0941 111.9878 61.2828 62.9798 176.6631 96 V 3.6468 7.8917 122.3202 65.8556 31.0652 177.4815 97 E 4.0776 8.2958 119.2808 59.2068 29.4654 178.9702 98 K 4.0487 8.0370 118.6211 59.3860 32.0686 179.6134 99 R 4.0075 7.9114 118.1595 58.9538 30.0974 178.5773 100 F 4.2990 8.3567 120.5363 61.4539 39.5013 177.2070 101 L 3.6833 8.2167 118.5520 57.6799 41.1592 179.4472 102 A 4.3193 7.8032 121.2020 54.2245 18.5209 179.2592 103 L 4.1019 7.8793 119.1708 58.4871 42.0552 179.2430 104 L 4.0391 7.5930 117.4274 57.3087 41.3403 178.4415 105 E 4.2921 7.9892 116.3115 55.4720 29.8662 176.1336 106 A 4.4849 7.5701 123.7495 52.2690 19.2429 177.1840 107 D 5.1800 9.0822 122.7346 51.6396 42.0638 176.9726 108 R 4.0563 8.8296 116.9174 59.8943 29.8869 177.5674 109 D 4.6684 8.4532 115.1013 55.2808 41.4069 177.3882 110 Q 4.6264 8.2484 117.8015 56.2671 30.5818 177.2388 111 I 3.4888 7.9772 119.3189 64.1027 37.8227 177.4154 112 A 3.9510 7.9832 120.7485 55.1221 18.3484 179.1765 113 F 4.1110 8.2069 118.5578 61.7469 39.6267 177.4891 114 R 3.7733 8.3444 117.7235 58.8406 29.7760 178.8794 115 L 3.9544 8.0593 120.6426 57.8710 42.0909 178.8971 116 R 3.8562 7.8864 118.7990 59.4416 30.1606 178.2785 117 Q 3.7778 7.8468 119.1066 59.0201 29.0245 178.1407 118 A 4.0019 8.0648 121.8653 55.1530 18.2193 179.8336 119 V 3.5373 7.7545 115.5941 66.0520 31.7067 177.9421 120 A 4.1208 7.9493 119.4605 54.5633 18.2089 178.9966 121 L 4.0734 7.4605 118.3426 57.1844 42.4980 177.9480 122 V 3.8720 6.8870 110.1389 61.0687 32.2526 175.1302 123 E 4.3809 8.4490 121.2616 55.9674 30.9417 177.7534 124 G 3.7914 8.5636 111.5639 44.4972 0.0000 172.9365 125 G 4.3780 8.5052 105.4479 45.1571 0.0000 172.7835 126 I 4.7478 7.6664 112.7135 58.7248 42.2606 173.8765 127 D 4.7033 8.5917 122.3971 53.6067 40.8361 176.7778 128 F 4.3934 9.1819 125.7126 59.4724 39.1459 177.6778 129 A 4.2220 8.2513 120.7532 55.3465 18.3531 179.5125 130 R 3.9869 8.8202 117.6794 59.2097 30.0155 178.3796 131 L 4.1104 7.9667 120.3919 58.1064 42.0203 178.8355 132 L 3.9619 8.0056 119.8499 58.3451 41.8713 178.4870 133 D 4.4601 8.0054 117.6570 57.5956 41.0956 178.4494 134 D 4.6288 8.6230 119.5516 57.3544 41.0363 178.5179 135 L 3.9539 8.3367 121.0692 58.1565 41.8310 179.0103 136 L 4.2059 8.2228 118.2970 56.8520 41.6174 178.6636 137 R 4.6188 7.6037 116.0563 55.5789 30.3006 177.6291 138 W 3.6395 7.7676 131.2286 59.9595 30.6549 176.5958 139 F 4.8665 7.6444 114.8074 57.1287 38.7318 175.4989 140 S 4.2891 7.6409 116.9336 57.5390 62.6748 173.3582 141 P 4.2670 0.0000 0.0000 65.8404 31.2541 177.7018 142 E 3.9903 8.1628 116.2187 57.3474 30.0501 176.7563 143 R 3.7464 8.1931 116.9329 56.2266 28.3710 178.1744 144 H 4.2243 7.9485 115.1856 58.5948 28.7495 176.5375 145 V 3.4612 7.0149 120.4676 65.8417 30.9502 177.7908 146 Q 3.3629 7.2392 116.9687 58.7535 28.4773 178.6339 147 A 4.0308 7.7094 121.3043 55.1328 18.3074 179.7102 148 R 4.0230 8.0988 117.3415 59.2531 30.0695 178.8057 149 W 4.3493 8.8200 119.0221 59.7651 29.0328 178.2571 150 A 4.5339 8.4801 120.8912 55.3374 17.8357 179.6602 151 R 3.9825 8.2406 117.2585 59.7345 30.1389 178.6870 152 E 3.9342 8.6450 118.6875 59.4110 29.2000 178.6442 153 Y 3.5598 8.1327 118.9294 60.9414 39.0083 177.4974 154 Y 4.4092 8.1423 116.1755 60.1876 38.0947 177.9793 155 G 3.6492 7.8953 106.0589 46.8162 0.0000 174.0537 156 A 3.7118 6.9352 126.3930 52.0085 18.3656 176.9570 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 4.57 0.00 4.23 4.16 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 3 P 0.00 4.44 0.00 2.57 2.61 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 4 G 9.81 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 5 E 8.30 4.10 0.00 2.28 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 2.40 2.43 0.00 6 R 8.43 4.12 0.00 2.37 2.47 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 7 F 8.52 3.67 0.00 2.94 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 8 L 8.10 3.61 0.00 1.88 1.79 0.90 0.62 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 9 D 8.10 4.26 0.00 2.90 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 10 W 7.90 4.03 0.00 3.53 2.74 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 11 L 7.62 3.60 0.00 0.83 0.23 -0.23 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.79 3.77 0.00 1.78 1.76 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.55 7.81 13 R 7.92 3.85 0.00 1.80 1.76 0.00 3.01 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 14 L 7.53 3.76 0.00 1.79 1.71 1.22 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.00 2.93 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 16 G 7.28 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 17 Q 7.27 4.55 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 18 K 8.49 4.02 0.00 1.73 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 A 8.00 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 20 W 8.37 4.37 0.00 3.61 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 21 T 8.05 3.50 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 1.11 0.00 0.00 22 A 7.74 3.83 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 23 A 7.38 2.00 0.57 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 24 R 7.25 3.20 0.00 0.67 1.04 0.00 2.91 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 25 A 7.40 3.80 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 26 A 7.66 4.12 1.39 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 27 F 7.93 4.60 0.00 2.92 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 28 R 8.67 4.06 0.00 1.90 1.92 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 29 R 8.06 3.91 0.00 1.98 1.80 0.00 3.21 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.18 0.00 30 S 7.87 3.92 0.00 4.26 4.41 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 31 L 7.63 4.16 0.00 1.80 1.79 0.95 0.98 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 32 A 7.86 4.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.44 4.92 0.00 3.02 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 34 P 0.00 4.47 0.00 2.24 2.02 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 35 P 0.00 4.48 0.00 2.11 2.20 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 36 G 8.87 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 0.00 0.00 0.00 37 A 7.87 4.51 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 38 Y 7.49 4.29 0.00 2.83 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 39 P 0.00 4.08 0.00 1.73 1.95 0.00 3.14 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 40 R 6.84 3.85 0.00 1.51 2.01 0.00 3.31 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.46 0.00 41 A 7.78 4.68 1.88 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 *43 P 0.00 4.36 0.00 1.47 1.93 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 44 Y 7.94 4.80 0.00 3.32 3.21 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 45 V 7.92 4.39 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 0.38 0.00 0.00 1.11 0.00 0.00 46 E 8.32 4.01 0.00 2.09 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 2.60 2.46 0.00 47 P 0.00 4.23 0.00 2.33 2.32 0.00 3.79 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 2.37 2.24 0.00 48 F 7.53 3.50 0.00 1.51 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.88 3.97 0.00 1.70 1.71 0.77 -0.21 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 50 A 7.97 4.11 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 51 K 7.66 4.25 0.00 1.50 1.70 0.00 1.36 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.41 7.81 52 G 7.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.74 4.67 0.00 2.37 2.45 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 0.00 0.00 0.00 0.00 54 W 8.37 5.21 0.00 3.20 3.05 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 0.00 0.00 0.00 55 R 9.11 4.59 0.00 1.97 1.91 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 56 Q 8.67 4.04 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 57 E 8.20 4.28 0.00 2.33 2.22 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 2.46 2.42 0.00 58 E 8.18 4.11 0.00 2.48 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 0.00 2.62 2.60 0.00 59 R 8.05 3.66 0.00 2.13 2.12 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.93 0.00 60 E 8.58 4.17 0.00 2.23 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 2.37 2.67 0.00 61 A 7.85 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 62 H 7.75 3.45 0.00 2.75 2.24 0.00 5.82 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 63 Y 7.89 3.99 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 64 L 8.28 4.03 0.00 1.81 1.84 0.97 0.76 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 65 V 7.99 3.70 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 1.27 0.00 0.00 1.02 0.00 0.00 66 A 8.25 3.57 0.56 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 75 D 7.55 4.58 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.28 5.24 0.00 3.53 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.77 4.54 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 78 V 8.04 3.85 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 0.69 0.00 0.00 1.01 0.00 0.00 79 G 9.40 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 80 R 7.49 4.15 0.00 1.79 1.84 0.00 3.03 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 81 T 7.59 4.17 3.90 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 1.14 0.00 0.00 82 L 7.95 3.66 0.00 1.49 1.05 0.84 1.14 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 83 A 7.06 3.86 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 84 R 7.64 3.70 0.00 1.90 1.87 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 85 A 8.19 3.98 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 86 L 8.19 3.95 0.00 1.87 1.84 1.21 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.85 3.20 0.00 2.24 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 88 E 7.94 3.60 0.00 2.11 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 2.60 2.73 0.00 89 K 7.84 3.96 0.00 1.91 1.91 0.00 1.46 0.00 0.00 1.60 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 90 A 7.94 4.17 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 91 Q 7.07 3.74 0.00 1.78 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 92 G 7.35 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.67 4.29 0.00 3.84 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 94 A 8.74 4.05 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 95 S 8.09 4.19 0.00 4.08 4.16 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 96 V 7.89 3.65 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 1.10 0.00 0.00 0.97 0.00 0.00 97 E 8.30 4.08 0.00 2.28 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 2.45 2.40 0.00 98 K 8.04 4.05 0.00 1.99 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 R 7.91 4.01 0.00 2.12 2.03 0.00 3.16 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 100 F 8.36 4.30 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.22 3.68 0.00 1.72 1.67 1.01 1.33 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 0.00 102 A 7.80 4.32 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 0.00 103 L 7.88 4.10 0.00 1.99 1.98 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.59 4.04 0.00 1.60 1.50 0.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.99 4.29 0.00 2.17 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 2.26 2.34 0.00 106 A 7.57 4.48 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 0.00 107 D 9.08 5.18 0.00 3.01 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 0.00 108 R 8.83 4.06 0.00 1.74 1.92 0.00 2.93 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 109 D 8.45 4.67 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 0.00 110 Q 8.25 4.63 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 111 I 7.98 3.49 1.87 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.03 1.02 0.00 0.00 112 A 7.98 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.21 4.11 0.00 3.13 3.25 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 0.00 114 R 8.34 3.77 0.00 1.90 1.97 0.00 3.27 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 115 L 8.06 3.95 0.00 1.76 1.59 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.89 3.86 0.00 1.89 1.95 0.00 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0.00 0.00 0.00 0.00 0.00 133 D 8.01 4.46 0.00 2.95 2.84 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 0.00 0.00 0.00 0.00 134 D 8.62 4.63 0.00 3.28 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 0.00 135 L 8.34 3.95 0.00 1.85 1.79 0.54 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.22 4.21 0.00 1.92 1.86 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 R 7.60 4.62 0.00 1.88 1.94 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 138 W 7.77 3.64 0.00 3.06 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 0.00 0.00 0.00 0.00 139 F 7.64 4.87 0.00 3.20 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 0.00 140 S 7.64 4.29 0.00 3.84 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.08 2.12 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 142 E 8.16 3.99 0.00 1.97 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 2.31 2.33 0.00 143 R 8.19 3.75 0.00 1.86 1.69 0.00 3.03 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 144 H 7.95 4.22 0.00 3.38 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.01 3.46 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.77 0.00 0.00 146 Q 7.24 3.36 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 147 A 7.71 4.03 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 0.00 148 R 8.10 4.02 0.00 2.16 2.26 0.00 3.20 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 149 W 8.82 4.35 0.00 3.65 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 0.00 150 A 8.48 4.53 1.65 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 0.00 0.00 151 R 8.24 3.98 0.00 2.12 2.26 0.00 3.13 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 1.67 1.73 0.00 152 E 8.64 3.93 0.00 2.15 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 2.73 0.00 153 Y 8.13 3.56 0.00 2.43 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.14 4.41 0.00 3.27 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 0.00 155 G 7.90 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 0.00 0.00 0.00 156 A 6.94 3.71 0.29 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 * Residues marked with a * may have inaccurate shift predictions.