NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 H 4.6577 8.4449 117.8269 55.8193 30.1463 172.5138 -6 E 4.0664 8.7434 123.0777 56.4675 30.9699 174.2482 -5 N 4.5744 8.5817 119.0272 52.4901 39.3040 174.1900 -4 L 3.6759 7.7196 129.2903 52.9956 40.2950 177.3912 -3 Y 4.3621 7.2763 116.8651 58.6001 38.7230 177.4767 -2 F 5.0302 8.1951 119.1675 57.2391 40.0095 175.3516 -1 Q 4.2569 7.6299 123.5446 56.6863 29.5696 174.0589 0 G 3.7441 8.5414 114.9690 45.5847 0.0000 170.6632 -5 K 4.1544 8.4717 120.7271 55.5901 33.5040 175.5900 -4 I 3.5059 7.5596 127.3902 58.9956 36.6950 176.1912 -3 P 4.2321 0.0000 0.0000 64.0001 33.0230 178.8767 -2 K 4.7302 8.1851 119.2675 55.7391 33.5095 176.1516 -1 I 4.0869 7.3099 123.6446 62.0863 38.9696 174.4589 0 Y 4.3341 8.3314 126.4690 58.3847 33.2668 171.6632 8 V 4.5244 8.5568 123.7338 60.4850 34.6997 174.3832 9 E 4.2502 8.9702 129.2307 57.1400 30.5127 177.2110 10 G 3.9088 8.7822 113.8062 46.4796 0.0000 174.5163 11 E 4.1438 7.4189 121.5700 53.6106 27.8599 174.7229 12 L 2.5012 7.2691 121.6762 54.7043 42.7517 175.6227 13 N 4.6617 7.5472 124.3976 53.4901 39.5246 174.3465 14 D 4.8538 8.6361 116.4172 53.4375 39.8642 172.5939 15 G 4.1734 8.8306 109.0617 46.1968 0.0000 173.8416 16 D 4.9156 8.6027 118.8058 54.4577 42.3604 176.0866 17 R 5.2130 8.5424 118.3219 54.4227 34.8581 174.6592 18 V 4.4266 8.0547 119.6940 59.7273 34.8763 174.0548 19 A 4.4998 8.6283 126.4175 50.5332 20.7656 175.8172 20 I 4.2953 8.7556 124.7723 60.0918 38.9125 175.3014 21 E 4.8451 8.8627 126.9949 53.4772 33.2529 175.8701 22 K 3.7942 9.1079 119.3371 59.8983 29.5886 175.5186 23 D 4.5647 9.1258 108.5081 54.3998 37.5045 176.6922 24 G 4.0569 8.1738 108.5076 46.0556 0.0000 174.7999 25 N 4.5809 7.8837 115.3494 53.7005 39.2318 174.7984 26 A 4.7384 7.4831 119.8767 50.0603 22.9726 174.9236 27 I 4.6177 8.2064 120.8604 59.4005 40.6942 175.0913 28 I 4.4084 8.1458 126.8226 59.4189 40.7399 174.4722 29 F 4.4645 8.7829 126.6035 56.6691 39.5177 175.5374 30 L 4.4288 8.5050 127.1817 54.3402 42.6915 177.8101 31 E 4.1152 8.8851 121.1836 55.8950 30.4938 176.1360 32 K 4.1861 8.6354 125.8221 56.6914 31.9966 177.4260 33 D 4.6829 9.0955 123.3406 53.0415 37.7416 171.7466 34 E 4.1724 8.1561 117.9622 57.1727 30.2542 181.9729 35 E 4.3556 8.6347 120.0828 54.2954 29.9929 173.4679 36 Y 4.4349 8.6130 126.6540 56.2838 39.1785 175.0885 37 S 4.3961 8.0026 122.1382 58.1004 64.2801 174.6722 38 G 3.4921 5.8943 109.0938 45.2188 0.0000 173.1100 39 N 5.0185 8.4899 115.7076 52.9387 39.6795 175.1390 40 G 4.0975 8.3712 109.5467 44.3475 0.0000 173.2489 41 K 4.4100 8.3878 118.7280 55.4317 33.8721 176.1749 42 L 4.6070 8.3862 124.5165 53.2284 43.7783 175.2204 43 L 5.1915 8.5269 124.1580 53.2017 44.3751 175.0632 44 Y 5.2435 8.9524 120.7692 55.8750 41.2546 174.9545 45 Q 4.8070 8.9791 125.2557 56.4365 29.4986 175.7509 46 V 4.3796 8.1635 118.9668 60.0161 34.5124 173.9687 47 I 4.2685 8.6378 121.2351 62.3377 39.6191 176.3993 48 Y 4.5950 7.5528 125.6567 56.5911 36.9837 174.4124 49 D 4.7160 8.3731 122.0846 52.9116 44.7815 174.2158 50 D 4.9666 8.4955 122.2986 52.3971 41.2794 176.7642 51 L 4.0330 9.0379 130.2225 57.6430 42.2422 178.8698 52 A 4.0001 7.7288 120.3443 54.5310 18.4025 178.8146 53 K 3.8413 7.5920 114.8858 58.7938 32.8442 177.5896 54 Y 4.4393 7.1487 118.6422 56.7322 37.1990 176.6970 *56 S 4.4280 7.5230 114.0376 58.6486 64.6597 175.1915 57 L 3.8152 9.0291 132.7706 55.9100 39.3249 175.3163 58 D 5.1882 9.2469 124.9935 53.7320 41.4491 175.1822 59 T 5.0455 7.7419 108.4087 60.0341 71.1859 173.5548 60 L 4.2287 8.7660 127.9920 55.4046 42.5404 177.5665 61 K 4.4090 9.2889 126.0411 57.6058 32.9565 177.1875 62 K 4.8340 7.8086 117.8218 54.0532 35.3618 176.0222 63 D 4.5913 9.2634 123.9540 54.5718 42.1509 175.6001 64 V 5.3054 8.6626 122.2005 61.0443 35.0335 173.8724 65 L 5.3708 8.5874 127.6808 53.3859 45.1182 175.1920 66 I 5.0146 8.9776 126.8128 59.5592 40.0239 174.1987 67 Q 4.7713 8.5927 127.9251 54.3968 30.7038 174.6457 68 Y 4.4315 8.5631 124.9087 57.0805 38.9328 175.6408 69 P 4.4093 0.0000 0.0000 64.8232 31.6687 177.7482 70 D 4.4159 8.1150 117.2150 54.2711 39.4932 176.4354 71 K 3.8895 8.0625 117.6759 57.7032 29.6732 176.4464 72 H 4.8164 8.5929 114.0042 56.0301 32.7452 173.8598 73 T 5.0113 8.4755 115.4866 61.7575 71.1237 173.8288 74 L 5.4363 8.5482 123.2077 54.8080 44.1462 175.2503 75 T 4.8313 9.0526 116.4032 62.0081 72.3055 172.2799 76 Y 5.1709 8.8515 126.7689 55.9457 41.2188 174.4801 77 L 4.4074 8.7164 128.1496 52.6567 43.6252 176.6884 78 K 4.2222 8.0638 123.4396 55.5234 33.4701 176.8133 79 A 4.0809 8.9459 126.4347 54.1310 18.6933 178.3950 80 G 4.0128 9.0564 110.3534 45.1762 0.0000 174.2413 81 T 3.9633 7.6122 117.6897 63.5256 69.3763 173.4415 82 K 4.7087 8.6569 128.3843 55.9069 33.0481 175.7573 83 L 4.9938 9.0985 127.1781 53.0441 45.0246 175.7984 84 I 4.5951 8.4108 122.7949 59.8580 39.3844 174.4924 85 S 4.7612 8.7166 121.5526 56.8239 64.9735 173.9763 86 V 4.3861 8.9722 124.9232 60.2123 32.8488 172.4990 87 P 4.8951 0.0000 0.0000 62.4934 32.7341 176.2850 88 A 4.7218 9.5846 124.0581 50.1088 20.5884 173.9169 89 E 5.0759 8.4308 118.9353 54.9634 32.8507 175.8368 90 G 3.9492 8.4451 111.7366 45.2956 0.0000 172.3094 91 Y 4.3314 8.9571 120.1224 60.1512 39.2842 176.5896 92 K 4.5182 8.5871 119.5013 54.5190 36.0436 175.0802 93 V 4.7864 8.2419 125.9307 61.4815 34.3889 174.7338 94 Y 4.7185 9.7186 126.4341 55.6391 38.6985 173.1317 95 P 5.1846 0.0000 0.0000 61.5816 33.3078 178.2546 96 I 4.0955 8.3451 122.4212 61.2195 38.7076 174.5713 *98 D 4.5221 8.5688 124.9733 55.6273 41.9847 174.3687 99 F 5.1027 8.2254 115.3351 56.9819 40.7084 173.1257 100 G 4.0287 9.6049 106.8159 45.8752 0.0000 173.1608 101 F 5.0603 7.0100 111.7204 55.2161 41.9045 174.6871 102 R 4.6620 8.6270 120.5576 56.3424 31.0733 175.7785 103 V 4.4164 8.7167 117.3495 59.7544 36.6564 174.8361 104 L 4.7085 8.2616 122.1499 52.9649 43.1555 176.3521 105 K 4.1633 8.3360 122.6143 58.3943 32.3631 177.4128 106 G 4.0035 9.1554 115.2626 45.0374 0.0000 173.1151 107 Y 4.1740 7.8622 121.8844 57.7242 40.1233 175.0900 108 R 4.5635 7.5000 126.5081 55.9237 30.0645 175.6351 109 L 4.2587 8.9019 127.7779 56.7526 43.2414 176.7164 110 A 5.2349 7.7087 117.9075 51.0714 23.0736 175.1040 111 T 5.1168 9.1058 115.8037 61.7559 72.1612 173.3335 112 L 5.1808 8.7651 125.4019 52.9139 44.2601 174.9090 113 E 5.2920 9.6038 125.2448 54.3295 32.3695 175.9218 114 S 4.4296 8.8856 121.8408 56.8991 64.3067 175.1025 115 K 2.4861 7.9389 119.9225 59.0493 31.7735 177.6150 116 K 4.1463 7.6220 116.4881 56.0696 32.3357 177.2391 117 G 3.9608 8.3742 107.8813 44.8639 0.0000 173.2314 118 D 4.7729 7.6941 119.0348 53.3117 42.6368 175.3160 119 L 5.1065 8.2784 120.8233 53.2693 44.3182 175.8547 120 R 4.3817 8.2123 119.4834 54.6890 34.9955 173.6324 121 Y 5.1570 8.2343 116.9356 56.3027 41.9608 175.4037 122 V 4.3114 8.7554 122.7693 61.6220 33.2326 174.0905 123 N 5.4306 8.5953 125.2437 51.0023 41.3116 174.9077 124 S 4.2336 9.1107 117.7134 58.5475 62.8267 173.5707 125 P 4.5396 0.0000 0.0000 64.7131 31.7143 175.9924 126 V 4.5467 7.2165 110.4311 59.8039 35.9962 174.1220 127 S 4.6846 8.4908 117.1408 57.3504 64.4053 174.6160 128 G 4.2876 7.4101 111.6540 46.6573 0.0000 171.2965 129 T 4.9235 8.3910 119.5001 61.4935 71.8237 174.3364 130 V 3.8109 8.2727 126.8817 63.1258 31.8546 176.4447 131 I 4.1548 9.1372 129.5764 63.8751 38.3537 175.2928 132 F 4.6182 7.8382 121.9401 57.8169 42.7196 172.7011 *134 N 4.7714 8.5801 113.7042 52.4572 38.2638 172.9772 135 E 3.8525 8.4373 119.8057 55.6183 30.4413 176.4628 136 I 3.8356 8.3075 127.5417 60.5998 37.4106 175.0787 137 P 4.1617 0.0000 0.0000 65.2113 31.2217 177.2073 138 S 4.6226 7.9179 108.7001 57.8722 63.5977 174.1477 139 E 4.3766 8.0920 121.8987 53.5254 29.9480 173.6616 140 R 3.8908 8.3445 121.0101 57.8549 30.3916 175.6961 141 A 3.3698 8.9986 126.8048 52.9387 17.0028 176.0129 142 N 4.9711 7.3833 115.2062 53.1567 41.7235 173.6578 143 Y 5.1611 8.6300 119.0661 56.1022 42.7124 174.6584 144 V 4.7990 8.4654 119.6367 60.2254 34.5142 174.8116 145 F 4.9230 9.1504 122.5113 56.2490 41.4888 174.4987 146 Y 5.3498 8.8019 119.2507 55.2174 41.9144 174.7528 *148 L 4.3640 8.2024 121.7827 54.7048 43.3247 175.8335 149 E 4.3808 8.8553 127.6728 55.9673 30.4141 176.3076 150 E 4.1698 8.5253 121.9185 56.6633 29.7438 176.5361 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 -7 H 8.44 4.66 0.00 3.01 3.01 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.74 4.07 0.00 1.97 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 2.18 2.31 0.00 -5 N 8.58 4.57 0.00 2.66 2.83 0.00 0.00 6.95 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 7.72 3.68 0.00 1.69 1.56 0.94 0.34 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 -3 Y 7.28 4.36 0.00 2.85 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 -2 F 8.20 5.03 0.00 3.10 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 -1 Q 7.63 4.26 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.11 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 0 G 8.54 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 -5 K 8.47 4.15 0.00 1.67 1.83 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.51 7.81 -4 I 7.56 3.51 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.91 0.00 0.00 -3 P 0.00 4.23 0.00 2.11 2.03 0.00 2.20 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 1.98 2.10 0.00 -2 K 8.19 4.73 0.00 1.80 1.67 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.49 7.81 -1 I 7.31 4.09 1.87 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 1.18 2.40 0.91 0.00 0.00 0 Y 8.33 4.33 0.00 3.01 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 8 V 8.56 4.52 1.64 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 -0.12 0.00 0.00 0.48 0.00 0.00 9 E 8.97 4.25 0.00 2.19 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 10 G 8.78 3.91 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 0.00 0.00 0.00 11 E 7.42 4.14 0.00 1.89 1.83 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 2.31 2.26 0.00 12 L 7.27 2.50 0.00 1.29 1.36 0.69 0.95 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 13 N 7.55 4.66 0.00 2.81 2.71 0.00 0.00 6.09 8.06 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 14 D 8.64 4.85 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.83 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 0.00 0.00 0.00 0.00 16 D 8.60 4.92 0.00 2.85 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 17 R 8.54 5.21 0.00 1.47 1.27 0.00 2.72 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.63 0.00 18 V 8.05 4.43 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 0.00 0.00 0.20 0.00 0.00 -0.12 0.00 0.00 19 A 8.63 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.76 4.30 1.72 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.72 0.56 0.00 0.00 21 E 8.86 4.85 0.00 1.77 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 2.15 2.37 0.00 22 K 9.11 3.79 0.00 1.86 1.77 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 23 D 9.13 4.56 0.00 2.79 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 24 G 8.17 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 25 N 7.88 4.58 0.00 2.82 2.84 0.00 0.00 6.64 6.96 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 26 A 7.48 4.74 1.12 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 27 I 8.21 4.62 1.66 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.27 0.00 0.00 28 I 8.15 4.41 1.73 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 1.18 0.62 0.88 0.00 0.00 29 F 8.78 4.46 0.00 2.88 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 30 L 8.50 4.43 0.00 1.47 1.56 0.59 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.89 4.12 0.00 1.89 1.83 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 2.31 1.87 0.00 32 K 8.64 4.19 0.00 1.77 1.65 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.02 7.81 33 D 9.10 4.68 0.00 2.87 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 34 E 8.16 4.17 0.00 2.00 1.77 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 2.26 2.12 0.00 35 E 8.63 4.36 0.00 1.98 1.79 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 2.21 1.86 0.00 36 Y 8.61 4.43 0.00 2.83 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 37 S 8.00 4.40 0.00 3.70 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 38 G 5.89 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.49 5.02 0.00 2.66 2.78 0.00 0.00 6.70 7.65 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 40 G 8.37 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 41 K 8.39 4.41 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 42 L 8.39 4.61 0.00 1.52 1.02 0.85 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.53 5.19 0.00 1.46 1.56 0.95 0.56 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 44 Y 8.95 5.24 0.00 2.91 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 45 Q 8.98 4.81 0.00 1.77 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.63 0.00 0.00 0.00 0.00 0.00 2.12 1.83 0.00 46 V 8.16 4.38 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 0.62 0.00 0.00 47 I 8.64 4.27 1.72 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 1.32 0.55 0.40 0.00 0.00 48 Y 7.55 4.59 0.00 2.66 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 49 D 8.37 4.72 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.50 4.97 0.00 2.84 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.04 4.03 0.00 1.84 0.76 0.62 0.64 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 52 A 7.73 4.00 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 53 K 7.59 3.84 0.00 0.79 1.32 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.67 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.26 1.36 7.81 54 Y 7.15 4.44 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 S 7.52 4.43 0.00 3.88 3.83 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 57 L 9.03 3.82 0.00 1.87 1.25 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.25 5.19 0.00 3.00 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 59 T 7.74 5.05 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 1.22 0.00 0.00 60 L 8.77 4.23 0.00 1.96 1.55 0.87 0.73 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 61 K 9.29 4.41 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.50 7.81 62 K 7.81 4.83 0.00 1.51 1.57 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 D 9.26 4.59 0.00 2.71 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 64 V 8.66 5.31 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 0.72 0.00 0.00 0.81 0.00 0.00 65 L 8.59 5.37 0.00 1.75 1.51 0.65 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.98 5.01 1.67 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 1.17 0.56 0.39 0.00 0.00 67 Q 8.59 4.77 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.04 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 68 Y 8.56 4.43 0.00 3.18 2.85 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 69 P 0.00 4.41 0.00 2.04 2.09 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 70 D 8.11 4.42 0.00 2.83 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 71 K 8.06 3.89 0.00 1.85 1.85 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.50 7.81 72 H 8.59 4.82 0.00 3.08 3.26 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.48 5.01 4.40 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 1.24 0.00 0.00 74 L 8.55 5.44 0.00 1.87 1.77 1.00 0.79 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 75 T 9.05 4.83 4.40 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 1.32 0.00 0.00 76 Y 8.85 5.17 0.00 2.83 2.86 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 77 L 8.72 4.41 0.00 1.43 1.45 0.92 0.92 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 78 K 8.06 4.22 0.00 1.55 1.61 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.15 7.81 79 A 8.95 4.08 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 80 G 9.06 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 0.00 0.00 0.00 81 T 7.61 3.96 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 1.20 0.00 0.00 82 K 8.66 4.71 0.00 2.04 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.04 7.81 83 L 9.10 4.99 0.00 1.58 1.68 0.94 0.92 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 84 I 8.41 4.60 1.93 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 1.44 0.90 0.95 0.00 0.00 85 S 8.72 4.76 0.00 3.52 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 86 V 8.97 4.39 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 1.07 0.00 0.00 0.96 0.00 0.00 87 P 0.00 4.90 0.00 2.26 2.01 0.00 3.77 0.00 0.00 3.74 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 88 A 9.58 4.72 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 89 E 8.43 5.08 0.00 1.82 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 2.40 2.26 0.00 90 G 8.45 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 91 Y 8.96 4.33 0.00 2.92 3.27 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 92 K 8.59 4.52 0.00 1.83 1.70 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.90 1.13 7.81 93 V 8.24 4.79 2.36 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 1.09 0.00 0.00 1.02 0.00 0.00 94 Y 9.72 4.72 0.00 2.92 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 95 P 0.00 5.18 0.00 1.95 1.95 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 1.41 0.52 0.00 96 I 8.35 4.10 2.21 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 1.18 0.80 0.97 0.00 0.00 *98 D 8.57 4.52 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 99 F 8.23 5.10 0.00 3.44 3.16 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 0.00 100 G 9.60 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 0.00 101 F 7.01 5.06 0.00 3.03 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 0.00 102 R 8.63 4.66 0.00 1.82 1.85 0.00 3.38 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 103 V 8.72 4.42 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 0.41 0.00 0.00 0.92 0.00 0.00 104 L 8.26 4.71 0.00 1.75 1.60 0.94 0.58 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 0.00 105 K 8.34 4.16 0.00 1.79 1.75 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 106 G 9.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.86 4.17 0.00 3.18 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 0.00 108 R 7.50 4.56 0.00 1.57 1.42 0.00 3.14 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 109 L 8.90 4.26 0.00 1.42 0.54 0.73 0.61 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 0.00 110 A 7.71 5.23 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 0.00 111 T 9.11 5.12 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 1.23 0.00 0.00 112 L 8.77 5.18 0.00 1.52 1.57 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.60 5.29 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 114 S 8.89 4.43 0.00 3.96 3.94 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 0.00 115 K 7.94 2.49 0.00 1.34 0.75 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.09 1.23 7.81 116 K 7.62 4.15 0.00 1.67 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.27 7.81 117 G 8.37 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 0.00 118 D 7.69 4.77 0.00 2.57 2.54 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 0.00 119 L 8.28 5.11 0.00 1.30 1.13 0.96 0.82 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 0.00 120 R 8.21 4.38 0.00 1.57 1.62 0.00 3.02 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 121 Y 8.23 5.16 0.00 2.86 2.80 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 0.00 122 V 8.76 4.31 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 1.14 0.00 0.00 0.99 0.00 0.00 123 N 8.60 5.43 0.00 2.64 2.71 0.00 0.00 7.09 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 0.00 124 S 9.11 4.23 0.00 3.92 3.98 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 0.00 0.00 0.00 125 P 0.00 4.54 0.00 2.24 2.18 0.00 3.80 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 2.01 2.00 0.00 126 V 7.22 4.55 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 0.95 0.00 0.00 127 S 8.49 4.68 0.00 4.00 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 0.00 128 G 7.41 4.29 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 0.00 129 T 8.39 4.92 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 1.26 0.00 0.00 130 V 8.27 3.81 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 1.22 0.00 0.00 0.60 0.00 0.00 131 I 9.14 4.15 2.04 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 1.21 1.04 0.99 0.00 0.00 132 F 7.84 4.62 0.00 2.85 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.77 0.00 3.12 3.05 0.00 0.00 5.63 7.66 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 0.00 135 E 8.44 3.85 0.00 1.78 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 1.97 1.58 0.00 136 I 8.31 3.84 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.33 0.86 0.00 0.00 137 P 0.00 4.16 0.00 2.02 2.14 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 138 S 7.92 4.62 0.00 3.92 3.91 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 0.00 139 E 8.09 4.38 0.00 1.86 1.77 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 2.15 2.14 0.00 140 R 8.34 3.89 0.00 1.65 1.78 0.00 3.37 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 141 A 9.00 3.37 1.22 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 0.00 142 N 7.38 4.97 0.00 2.62 2.57 0.00 0.00 6.81 6.79 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 0.00 143 Y 8.63 5.16 0.00 2.74 2.41 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 0.00 144 V 8.47 4.80 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 0.67 0.00 0.00 0.42 0.00 0.00 145 F 9.15 4.92 0.00 2.97 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 0.00 146 Y 8.80 5.35 0.00 3.08 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 *148 L 8.20 4.36 0.00 1.85 1.65 0.94 0.79 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 0.00 149 E 8.86 4.38 0.00 1.99 1.85 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 2.30 2.31 0.00 150 E 8.53 4.17 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.