NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8161 8.1676 115.8770 57.1328 40.3253 177.2335 11 H 3.9850 5.2900 118.2008 54.0550 29.0612 170.2486 12 E 4.4278 9.4614 123.3819 57.7268 29.8537 176.9486 13 M 4.5171 7.0710 114.4442 55.0486 32.2216 176.5325 14 R 4.5700 7.7015 116.7621 55.5109 32.6522 175.5062 15 E 4.1107 7.9481 117.3343 54.8823 30.3820 174.5421 16 P 4.4222 0.0000 0.0000 62.9400 32.3504 175.0492 17 R 4.1286 7.4667 113.1620 55.5534 32.9385 173.8017 18 I 4.3814 8.5154 122.0233 60.7127 38.1842 174.9064 19 E 4.4941 8.7463 129.1284 54.4732 31.3234 171.9202 20 K 4.5550 8.7467 132.6942 55.4188 34.1726 174.6317 21 V 4.5096 7.8399 119.7654 61.2445 34.7701 173.9501 22 V 4.5286 8.2877 129.0800 61.7382 33.1427 174.8764 23 V 4.7133 8.3841 122.1468 59.9292 33.6911 174.4236 24 H 5.1606 8.8558 124.9044 54.6149 33.8371 172.1727 25 M 4.4402 8.5416 124.7100 53.3727 33.3140 175.3526 26 G 4.0625 8.0053 113.0155 45.8917 0.0000 171.7843 27 I 4.1326 7.5705 124.1133 60.4663 39.6077 176.3800 28 G 4.0768 7.9872 111.6892 45.4053 0.0000 172.6728 29 H 4.7706 7.9591 119.1766 55.5261 29.7504 173.5274 *35 A 4.1715 7.0163 123.5967 51.9213 19.2827 176.7182 36 N 4.4187 8.7327 113.4452 56.5202 36.6161 176.6332 37 A 3.7838 8.0215 122.4617 54.6284 18.4010 178.8891 38 E 3.9103 8.6482 118.0900 60.0753 29.7153 178.9677 39 D 4.4063 7.5597 118.3048 57.8345 40.9104 179.5463 40 I 3.7571 7.7473 112.5732 64.1415 37.5307 178.0039 41 L 4.1448 7.8399 120.8741 57.3605 41.3923 179.5867 42 G 3.6290 8.4457 106.2155 47.9451 0.0000 175.6001 43 E 4.0714 7.8864 119.5499 58.9341 29.7035 178.8793 44 I 3.9224 8.2407 118.4242 63.2821 38.0339 176.6867 45 T 4.5760 8.0550 108.5379 64.1460 70.0739 174.7327 46 G 3.7905 7.0109 108.7133 44.2434 0.0000 173.3080 47 Q 4.5704 7.7392 117.1250 54.1333 31.6833 174.3766 48 M 3.8656 8.5816 118.4266 55.9380 32.4244 174.7993 49 P 4.8271 0.0000 0.0000 61.8473 33.4082 175.2337 50 V 4.4440 8.4300 120.7255 60.8159 34.2279 175.3579 51 R 4.3499 8.7810 126.0458 57.4551 31.3106 176.7886 52 T 4.5346 8.6454 117.0067 61.2623 70.0139 173.9633 53 K 5.2165 8.7417 124.5516 55.8328 33.3107 175.3743 54 A 4.8814 8.6413 122.4444 50.2562 22.1564 175.6258 55 K 4.5601 8.4599 117.5956 55.6260 34.9973 174.7316 56 R 4.1293 8.6247 124.3391 56.2311 29.7565 175.9888 57 T 4.5363 8.2705 117.4033 62.5530 69.8376 174.5984 58 V 4.5474 9.1977 126.0459 60.5751 35.0121 175.9501 59 G 3.8759 8.9658 113.2998 48.8190 0.0000 174.8522 60 E 4.2507 8.1128 118.5502 58.4409 28.1959 176.1227 61 F 4.1615 7.7319 112.8417 60.2618 38.7735 175.0065 62 D 4.9151 7.9575 119.0713 51.7837 40.1607 175.5519 63 I 3.6165 7.6756 114.7103 60.9967 39.5395 177.3368 64 R 3.8503 7.9127 121.6064 56.2631 29.4416 174.6520 65 E 4.0068 8.1908 129.1810 58.6151 29.2667 176.3185 66 G 3.8745 7.9995 109.9048 46.5057 0.0000 171.9739 67 D 4.4820 8.3683 120.9473 51.6551 42.3717 173.5519 68 P 4.5132 0.0000 0.0000 62.7953 30.5201 176.3997 69 I 4.6102 9.1210 125.8083 59.0531 39.7650 174.9519 70 G 4.4382 7.5041 107.8492 43.4998 0.0000 172.2069 71 A 5.8770 8.0592 121.1336 49.2903 23.3381 174.8465 72 K 5.0018 8.2659 116.7687 55.9473 37.1055 175.5103 73 V 4.5410 8.4161 120.1710 61.9685 34.9428 172.9763 74 T 4.7362 8.5268 119.0632 60.4385 69.9710 173.8619 75 L 4.7544 8.4660 126.9289 52.8899 44.1363 175.9680 76 R 4.7831 8.0299 120.7639 54.6128 34.1431 176.3456 77 D 4.4421 8.9286 120.5284 55.7438 38.9248 176.5558 78 E 3.9916 8.9224 124.1082 60.9343 28.9676 178.3047 79 M 4.0382 8.2598 117.8924 58.4778 31.8619 178.5215 80 A 4.3088 7.8704 120.3604 54.9175 18.8045 179.3736 81 E 3.9522 8.0384 116.6529 59.5964 29.6034 179.0427 82 E 4.1332 8.3829 118.4175 59.0413 29.8704 179.0012 83 F 4.4075 7.5952 120.8062 60.6832 39.9341 177.6357 84 L 4.2533 8.2310 118.1561 57.2624 41.0632 178.8984 85 Q 4.0998 8.0973 115.9531 56.5025 28.3102 176.1631 86 T 4.5430 7.6377 108.9968 62.6219 74.1995 175.0821 87 A 3.9807 7.6990 125.6814 54.8483 19.0307 179.0961 88 L 3.5742 8.1464 114.6462 57.5085 41.8539 178.2230 89 P 4.1644 0.0000 0.0000 65.5932 31.2562 177.1104 90 L 4.3801 8.0766 115.7561 54.5635 41.5865 176.1194 91 A 4.8475 8.2687 121.5553 50.4844 21.8673 175.0298 92 E 4.4380 8.2024 116.2859 58.4770 31.8718 176.4802 93 L 3.6995 6.6796 116.7750 52.2189 43.7398 175.7497 94 A 4.4784 8.6026 122.6403 52.5600 21.3339 174.7125 95 T 3.1785 8.7580 111.1442 62.7319 69.4219 173.9099 96 S 3.8123 8.6636 119.4499 60.5000 63.3198 173.2882 97 Q 4.5100 10.7000 119.4597 55.8022 28.5385 174.5730 98 F 5.0188 7.6728 114.5920 55.0231 41.3422 174.9797 99 D 4.6838 9.8414 123.5615 54.4060 41.6520 175.9264 100 D 4.6984 8.5392 119.7594 55.3348 41.2505 177.5381 101 T 4.5622 7.2633 112.9819 62.2743 68.8628 174.6329 102 G 3.9496 8.3373 108.8019 46.4918 0.0000 173.0925 103 N 5.2684 7.7852 116.4030 51.2798 41.7682 173.2350 104 F 4.2881 7.5683 109.4619 56.2349 41.1373 173.0431 105 S 5.0672 8.2074 117.3562 56.4760 64.8857 172.8931 106 F 4.9161 8.7105 120.5039 55.4982 41.4685 172.8375 107 G 3.9215 9.0425 103.1141 43.8244 0.0000 173.9606 *128 L 4.0111 8.3293 125.4909 55.1370 43.1043 176.4219 129 D 4.8464 8.6397 126.0530 52.9599 43.8898 176.2551 130 V 4.2286 7.8255 120.5867 61.9888 34.5372 173.8608 131 T 4.7501 8.8329 125.4818 61.6107 71.1630 173.9929 132 V 4.2866 7.7922 124.2131 61.0916 34.4738 173.6294 133 N 5.0574 8.6426 127.2775 52.3213 40.2301 173.5513 134 L 5.3321 8.2637 125.8648 53.2245 44.5183 175.8136 135 V 4.2964 7.9994 120.5577 61.2007 34.8258 171.9384 136 R 4.3633 8.3801 116.7855 54.9598 31.3756 177.2646 137 P 4.0384 0.0000 0.0000 65.3876 32.2023 177.3179 138 G 4.1345 7.8144 105.9353 46.0936 0.0000 175.4317 139 Y 4.3034 8.1737 123.1508 60.1365 38.8433 176.1282 140 R 3.7858 8.2581 119.4389 59.5044 29.8857 178.0837 141 V 3.5153 7.4346 116.3934 65.3432 31.1396 176.8052 142 A 4.5463 7.6243 119.1956 51.0806 19.5578 177.1631 143 K 4.2235 7.7214 115.7525 56.0651 33.8983 176.7206 144 R 4.2403 7.5964 114.8245 55.7428 30.6847 175.9040 145 D 4.5200 8.3891 116.6610 56.6866 41.5150 177.6566 146 K 4.0162 7.8501 118.4578 57.4935 32.6850 176.7965 147 A 3.8848 8.8078 123.5141 52.4497 16.3373 177.0183 148 S 4.5132 7.1490 112.9504 61.0476 63.3418 173.7577 149 R 4.6203 8.8322 119.7110 55.0108 33.7042 174.1322 150 S 4.2985 8.6073 120.5355 58.1321 63.3094 173.7405 151 I 3.9905 8.2591 127.2605 60.3134 37.7910 174.3754 152 P 4.4233 0.0000 0.0000 62.4507 32.1003 177.2934 153 T 3.8825 8.8430 113.2633 65.4869 67.9734 176.5959 154 K 4.0624 8.0299 119.5701 58.9509 32.2286 177.5981 155 H 4.6672 8.1318 116.0700 55.4623 30.0856 175.1069 156 R 4.2641 7.3017 118.9538 56.1888 30.9210 175.1511 157 L 4.5441 8.1415 120.5451 53.7406 43.4299 175.6847 158 N 4.8202 8.2109 122.8645 51.6070 41.1373 174.5500 159 P 4.3159 0.0000 0.0000 65.8894 31.4228 178.7573 160 A 3.8566 7.8850 118.7883 55.3845 18.6635 179.1919 161 D 4.4317 8.1874 116.0443 56.6912 40.8196 178.8948 162 A 4.2307 7.6317 121.7374 54.9647 18.8734 179.3066 163 V 3.1874 7.5453 116.4142 66.3663 31.2843 177.7122 164 A 3.9162 7.9791 119.9990 55.1240 17.9953 178.9117 165 F 4.1535 7.7004 116.7341 61.7721 39.6860 177.5790 166 I 3.4961 7.8576 118.7511 64.3921 36.8159 177.7929 167 E 4.3052 8.0741 120.4252 58.5653 29.3900 177.8376 168 S 4.5406 8.0456 111.8806 57.8757 64.7794 175.0960 169 T 4.7547 7.8847 113.0204 62.7104 70.7686 173.2369 170 Y 3.3677 7.8441 118.3234 57.6129 34.9035 168.7287 171 D 4.4200 6.8073 117.0751 54.0782 43.8070 175.5597 172 V 4.6494 7.9310 117.0124 61.2294 35.6411 178.2073 173 E 4.3512 9.0855 121.9932 56.8772 28.6744 177.3264 174 V 4.0938 7.5913 116.4539 63.9955 31.8698 175.1230 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 10 F 8.17 4.82 0.00 3.36 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 11 H 5.29 3.98 0.00 3.08 2.29 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.46 4.43 0.00 1.63 1.86 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 2.06 2.16 0.00 13 M 7.07 4.52 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 14 R 7.70 4.57 0.00 1.76 1.96 0.00 3.42 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 15 E 7.95 4.11 0.00 2.15 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 2.34 2.28 0.00 16 P 0.00 4.42 0.00 0.97 1.66 0.00 3.63 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 1.98 2.00 0.00 17 R 7.47 4.13 0.00 1.78 1.81 0.00 2.73 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 18 I 8.52 4.38 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.97 0.00 0.00 19 E 8.75 4.49 0.00 1.85 1.71 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 2.19 2.22 0.00 20 K 8.75 4.55 0.00 2.09 1.96 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.31 7.81 21 V 7.84 4.51 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 0.96 0.00 0.00 0.96 0.00 0.00 22 V 8.29 4.53 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.84 0.00 0.00 23 V 8.38 4.71 1.91 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 0.73 0.00 0.00 24 H 8.86 5.16 0.00 3.20 2.97 0.00 5.54 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 25 M 8.54 4.44 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 26 G 8.01 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 0.00 0.00 0.00 27 I 7.57 4.13 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.72 0.75 0.00 0.00 28 G 7.99 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 29 H 7.96 4.77 0.00 3.18 3.35 0.00 5.76 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 *35 A 7.02 4.17 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 36 N 8.73 4.42 0.00 2.92 3.14 0.00 0.00 5.86 7.46 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 37 A 8.02 3.78 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 38 E 8.65 3.91 0.00 1.95 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 2.32 2.50 0.00 39 D 7.56 4.41 0.00 2.69 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 40 I 7.75 3.76 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.14 0.91 0.00 0.00 41 L 7.84 4.14 0.00 1.87 1.72 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.45 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 43 E 7.89 4.07 0.00 2.01 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 2.49 0.00 44 I 8.24 3.92 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.86 1.07 0.00 0.00 45 T 8.05 4.58 4.12 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 0.99 0.00 0.00 46 G 7.01 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 47 Q 7.74 4.57 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 48 M 8.58 3.87 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 49 P 0.00 4.83 0.00 1.91 1.94 0.00 3.59 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 1.98 2.05 0.00 50 V 8.43 4.44 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 1.04 0.00 0.00 0.91 0.00 0.00 51 R 8.78 4.35 0.00 1.72 1.86 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 52 T 8.65 4.53 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 K 8.74 5.22 0.00 1.63 1.75 0.00 1.73 0.00 0.00 2.36 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.64 4.88 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 55 K 8.46 4.56 0.00 1.62 1.70 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.62 4.13 0.00 1.98 2.00 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.27 4.54 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 1.24 0.00 0.00 58 V 9.20 4.55 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 1.02 0.00 0.00 0.94 0.00 0.00 59 G 8.97 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 60 E 8.11 4.25 0.00 2.14 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 2.31 2.34 0.00 61 F 7.73 4.16 0.00 3.03 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 62 D 7.96 4.92 0.00 2.96 2.55 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 0.00 0.00 0.00 63 I 7.68 3.62 1.93 0.00 0.00 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 1.45 0.85 1.05 0.00 0.00 64 R 7.91 3.85 0.00 1.77 2.06 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 65 E 8.19 4.01 0.00 2.02 1.81 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 2.29 2.32 0.00 66 G 8.00 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 0.00 0.00 0.00 67 D 8.37 4.48 0.00 2.72 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 68 P 0.00 4.51 0.00 1.94 2.04 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 69 I 9.12 4.61 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.93 0.00 0.00 70 G 7.50 4.44 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 0.00 71 A 8.06 5.88 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 72 K 8.27 5.00 0.00 1.75 1.88 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.42 4.54 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 0.82 0.00 0.00 0.86 0.00 0.00 74 T 8.53 4.74 4.19 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 1.16 0.00 0.00 75 L 8.47 4.75 0.00 1.49 1.53 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.03 4.78 0.00 1.63 1.78 0.00 3.31 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 77 D 8.93 4.44 0.00 2.89 2.28 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 78 E 8.92 3.99 0.00 2.02 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 2.42 2.42 0.00 79 M 8.26 4.04 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 80 A 7.87 4.31 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 81 E 8.04 3.95 0.00 2.15 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 2.45 2.64 0.00 82 E 8.38 4.13 0.00 2.02 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 2.36 2.51 0.00 83 F 7.60 4.41 0.00 3.38 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 84 L 8.23 4.25 0.00 1.94 1.80 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.10 4.10 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 86 T 7.64 4.54 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 1.13 0.00 0.00 87 A 7.70 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 88 L 8.15 3.57 0.00 1.72 1.68 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.16 0.00 2.00 2.12 0.00 3.66 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 2.00 2.11 0.00 90 L 8.08 4.38 0.00 1.81 1.73 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.27 4.85 0.80 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 92 E 8.20 4.44 0.00 1.94 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 2.19 2.29 0.00 93 L 6.68 3.70 0.00 1.74 1.84 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.60 4.48 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 95 T 8.76 3.18 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 1.12 0.00 0.00 96 S 8.66 3.81 0.00 4.23 4.27 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 97 Q 10.70 4.51 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 98 F 7.67 5.02 0.00 2.99 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 99 D 9.84 4.68 0.00 2.81 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 0.00 100 D 8.54 4.70 0.00 2.72 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 0.00 101 T 7.26 4.56 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 1.24 0.00 0.00 102 G 8.34 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 0.00 103 N 7.79 5.27 0.00 2.97 2.81 0.00 0.00 6.58 8.13 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 0.00 104 F 7.57 4.29 0.00 2.52 1.63 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 0.00 105 S 8.21 5.07 0.00 3.76 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 0.00 106 F 8.71 4.92 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 9.04 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 *128 L 8.33 4.01 0.00 1.68 1.64 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.64 4.85 0.00 2.73 2.44 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 0.00 130 V 7.83 4.23 1.08 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 0.86 0.00 0.00 0.92 0.00 0.00 131 T 8.83 4.75 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 1.04 0.00 0.00 132 V 7.79 4.29 1.30 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 1.07 0.00 0.00 0.72 0.00 0.00 133 N 8.64 5.06 0.00 2.81 2.91 0.00 0.00 6.56 5.95 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 0.00 134 L 8.26 5.33 0.00 1.73 1.52 1.32 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.00 4.30 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.71 0.00 0.00 136 R 8.38 4.36 0.00 1.82 1.97 0.00 2.93 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 137 P 0.00 4.04 0.00 2.26 2.10 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 138 G 7.81 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.17 4.30 0.00 3.15 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 0.00 140 R 8.26 3.79 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 V 7.43 3.52 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 1.02 0.00 0.00 0.96 0.00 0.00 142 A 7.62 4.55 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 0.00 143 K 7.72 4.22 0.00 1.58 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.77 1.43 7.81 144 R 7.60 4.24 0.00 1.89 1.94 0.00 3.11 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 145 D 8.39 4.52 0.00 2.67 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 0.00 146 K 7.85 4.02 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.81 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 0.00 148 S 7.15 4.51 0.00 3.78 4.02 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 0.00 0.00 0.00 149 R 8.83 4.62 0.00 1.81 1.72 0.00 3.08 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 150 S 8.61 4.30 0.00 3.91 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 0.00 151 I 8.26 3.99 1.99 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 1.45 1.16 1.05 0.00 0.00 152 P 0.00 4.42 0.00 2.22 1.99 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 153 T 8.84 3.88 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 1.23 0.00 0.00 154 K 8.03 4.06 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.13 4.67 0.00 3.13 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.30 4.26 0.00 2.09 1.89 0.00 3.41 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 157 L 8.14 4.54 0.00 1.66 1.72 0.89 0.56 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 0.00 158 N 8.21 4.82 0.00 3.21 2.72 0.00 0.00 6.60 7.91 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 0.00 159 P 0.00 4.32 0.00 2.15 2.22 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 160 A 7.89 3.86 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 0.00 161 D 8.19 4.43 0.00 2.71 2.76 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 0.00 0.00 0.00 162 A 7.63 4.23 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.55 3.19 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 0.82 0.00 0.00 0.24 0.00 0.00 164 A 7.98 3.92 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 0.00 165 F 7.70 4.15 0.00 3.09 3.39 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 0.00 166 I 7.86 3.50 1.84 0.00 0.00 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 1.64 0.89 0.88 0.00 0.00 167 E 8.07 4.31 0.00 1.93 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 2.27 2.20 0.00 168 S 8.05 4.54 0.00 3.86 4.01 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 0.00 169 T 7.88 4.75 4.18 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 1.16 0.00 0.00 170 Y 7.84 3.37 0.00 3.01 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 0.00 171 D 6.81 4.42 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.93 4.65 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 0.83 0.00 0.00 0.89 0.00 0.00 173 E 9.09 4.35 0.00 1.98 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 2.39 2.20 0.00 174 V 7.59 4.09 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 1.10 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.