NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1794 8.1849 120.6515 54.4472 44.1336 177.0653 *4 K 4.1653 7.5783 117.5809 55.5804 34.4872 176.3930 5 V 3.7911 8.4119 120.5558 66.6516 31.4111 178.3705 6 A 4.2682 8.0847 119.6064 55.2598 18.2303 179.3170 7 E 4.0174 8.0594 116.7842 59.2909 29.6483 179.2383 8 F 4.3235 8.2458 117.9152 60.8300 39.1607 177.3532 9 E 4.1743 8.5620 118.1158 59.6294 29.2934 179.4879 10 R 3.9714 8.2288 118.5037 59.5506 30.1469 178.6412 11 L 4.0877 8.2290 118.7029 57.9025 41.6387 179.4032 12 F 4.1323 8.5793 117.7379 60.5706 38.8047 177.9979 13 R 4.0073 8.2050 117.5606 59.6088 29.7988 179.1787 14 Q 4.1670 8.0590 116.4017 58.7262 28.7473 178.5270 15 A 4.2700 8.5736 121.3575 54.6698 18.5105 179.0840 16 A 4.5015 7.6349 115.8042 51.9152 20.5255 176.0380 17 G 4.0703 8.5025 105.5585 48.3414 0.0000 174.1310 18 L 4.9191 8.0083 116.6469 52.7528 44.5714 177.6193 19 D 4.8499 9.3628 123.7408 52.5600 41.9659 175.3085 20 V 3.7235 7.9611 125.5406 60.8624 32.7976 175.4360 21 D 4.4597 8.4659 123.4678 53.4049 41.6078 176.8754 22 K 3.3766 8.8345 126.6978 59.7617 32.1717 178.0296 23 N 4.5361 8.9507 114.2734 54.6038 38.7487 175.7307 24 D 4.6665 8.5094 118.5616 54.3622 41.8073 178.1561 25 L 3.5661 7.3785 120.3857 57.1116 41.4528 179.1319 26 K 3.7914 7.7810 119.2958 59.5575 32.2332 178.7025 27 R 3.8335 7.7233 118.4093 59.2158 30.0051 178.3105 28 V 3.3021 7.4417 118.0996 65.8828 31.3692 177.8831 29 S 4.1549 8.0604 113.0919 61.6796 62.2591 175.8989 30 D 4.3361 8.1759 121.5327 57.1440 40.6283 178.5560 31 F 4.1350 8.7079 121.4807 61.5127 39.4152 177.3147 32 L 3.8867 8.1789 118.5531 57.2862 41.3579 179.4620 33 R 3.8992 8.2877 119.4520 59.4299 29.9487 178.2891 34 N 4.3663 8.2441 116.3844 56.2672 38.5730 177.5918 35 K 3.9096 7.6623 119.6275 59.2205 32.0932 179.2314 36 L 3.9457 8.3101 121.1557 58.2042 41.9350 178.3084 37 Y 4.0287 8.5084 119.9654 60.9432 38.7161 177.9526 38 D 4.3074 8.5387 119.8893 57.0506 40.7544 178.8142 39 L 3.9193 7.7205 119.5625 57.8722 41.5867 179.5606 40 L 3.8750 7.8696 118.6532 57.5427 41.3927 179.4712 41 A 3.7350 7.8792 121.2522 54.8918 18.1570 179.9156 42 V 3.4595 7.7298 116.6445 65.9295 31.5805 178.0005 43 A 4.4777 8.0437 122.2010 54.6711 18.2239 179.1994 44 E 3.8516 8.3699 117.9650 59.3180 29.5961 178.9851 45 R 3.8994 7.7733 118.3786 59.5937 30.1774 178.2811 46 N 4.3572 8.5603 116.4231 56.2634 38.4860 177.2514 47 A 4.1074 8.4946 122.6365 55.2034 18.4892 179.9103 48 K 3.9721 8.2625 117.0485 59.6772 31.9069 178.9458 49 Y 4.1503 8.2273 119.2797 60.4036 38.7307 176.9710 50 N 4.6856 8.1889 114.8822 52.1249 39.0399 174.9870 51 G 3.8849 8.0319 108.1094 47.0796 0.0000 174.2006 52 R 4.7460 8.0607 116.7236 54.3553 33.0635 176.0623 53 D 4.8138 8.6378 118.7379 54.3783 41.3676 176.3037 54 L 4.9547 7.4398 117.9438 53.0240 46.1288 175.5801 55 I 4.4815 7.9536 122.2152 60.2639 39.0910 175.1337 56 F 4.9632 9.4209 124.7609 55.1433 42.7575 175.9651 57 E 3.9526 9.3082 120.7529 59.2362 29.3524 177.5267 58 P 4.4014 0.0000 0.0000 65.3017 31.9257 177.3495 59 D 4.5066 8.3565 118.5073 56.7822 40.9852 176.7257 60 L 4.3807 7.7419 119.9438 54.0032 42.2230 176.5373 61 P 4.4589 0.0000 0.0000 61.6657 29.6416 174.6036 62 I 4.1254 7.3724 121.9062 60.3233 38.1402 176.5073 63 A 4.2873 8.1650 127.5633 50.9672 20.5274 177.2585 64 K 3.8516 8.7116 121.6531 59.8314 32.0035 179.0648 65 G 3.6015 8.0034 105.1367 47.9135 0.0000 175.2944 66 L 3.9948 7.8439 122.8809 57.4799 42.1133 178.5449 67 Q 3.9663 8.2274 119.7398 59.3397 29.0227 178.2753 68 E 4.0178 8.3572 119.5528 59.7490 29.4572 179.5218 69 T 3.9614 8.0459 115.8955 66.2580 68.3438 176.5768 70 L 4.0504 8.0530 122.5271 58.3714 42.0465 179.0757 71 Q 4.0273 8.1333 117.9767 58.9456 28.3733 178.5435 72 E 3.9914 8.0674 118.8672 59.4187 29.5857 178.9545 73 F 4.3151 8.1395 119.5134 61.4115 39.6303 177.2481 74 R 3.7526 8.1838 116.3935 57.9370 31.1542 178.3530 75 R 4.1773 6.9709 120.1425 54.2549 27.9543 176.5566 *77 D 4.2950 7.5792 121.4635 54.4080 42.4047 178.4859 78 T 4.3454 6.9744 113.6855 61.5328 70.5563 173.6800 79 A 4.3421 8.3001 128.8181 51.3854 19.5018 176.8301 80 L 4.8549 8.2567 121.3419 52.7256 44.7986 176.4973 81 E 4.2905 8.4337 121.1580 55.9552 30.7676 177.6151 82 L 4.0545 8.5884 123.2484 58.1876 42.3163 178.8692 83 K 3.8463 8.0675 119.2699 59.5053 32.0392 176.2286 84 P 4.2812 0.0000 0.0000 65.6167 31.2353 178.8313 85 V 3.5994 7.6482 116.4974 65.9934 31.6047 178.0173 86 L 4.0434 8.0014 118.7949 57.7689 41.2158 179.1844 87 D 4.3487 8.3633 118.2571 57.2390 40.9333 178.2842 88 A 4.1540 8.0774 121.1904 55.3732 18.4140 179.7963 89 L 4.0288 8.1229 116.9397 57.4778 41.4592 179.2090 90 A 4.1223 7.8298 119.4334 54.1165 18.3236 178.8599 91 A 4.0884 7.6792 118.7028 53.0105 18.6679 177.3862 92 L 4.4473 6.9901 116.6319 51.8642 43.8362 174.5475 93 P 4.3041 0.0000 0.0000 62.5305 31.6579 175.0424 94 P 4.5506 0.0000 0.0000 62.2748 32.1668 176.2391 95 L 4.2403 8.1336 119.8712 54.7489 42.3521 177.2731 96 D 4.4697 9.3551 122.4053 56.6870 41.0625 177.2375 97 L 4.6177 7.7697 117.0127 53.0373 43.7465 175.9675 98 E 4.2645 8.3267 120.6347 56.4422 30.9219 176.1239 99 V 4.3221 8.0512 115.3440 59.8526 33.4141 175.9761 100 A 3.9327 8.4775 126.4851 51.4782 19.4253 178.2072 101 E 3.8676 8.9267 119.5585 59.4750 29.5611 178.8100 102 D 4.3755 8.0886 118.6428 56.6942 39.3373 178.7623 103 V 3.5824 7.6706 119.3809 65.2786 31.3791 177.6174 104 R 3.8430 7.7437 117.7176 59.7810 29.9845 178.0503 105 N 4.5011 8.1276 115.8654 56.0347 38.4753 177.2717 106 L 4.1779 7.8728 121.9509 57.7598 42.1415 178.6628 107 L 3.9406 8.1506 119.7539 57.5682 41.6843 177.9439 108 P 4.2602 0.0000 0.0000 65.7162 31.3101 178.3122 109 E 3.9972 7.6381 118.3879 59.2031 29.3995 179.1591 110 L 3.9350 8.3499 119.2966 57.5896 41.6372 179.3517 111 A 3.9975 7.9938 120.8480 55.0150 18.2481 179.9207 112 G 2.3471 7.4249 103.8204 47.4166 0.0000 175.6729 113 A 3.9376 7.6800 123.8699 54.8525 18.3548 179.7027 114 L 4.0898 8.3643 117.7481 57.9230 41.6795 180.0262 115 V 3.5191 7.7387 118.2444 65.8374 31.4957 178.1665 116 V 3.5267 7.9216 117.8778 66.0933 31.2978 177.8788 117 A 4.1190 8.4459 120.7517 55.2762 18.0055 178.9620 118 Y 3.9354 8.5479 117.9539 60.7595 38.8640 178.1432 119 A 4.1896 8.5162 122.0440 55.4466 18.5313 179.9299 120 R 3.9667 8.2151 116.5203 59.1379 30.0843 179.5019 121 V 3.6262 8.2198 118.7174 65.7627 31.4794 177.6884 122 L 3.8103 7.7940 120.1351 58.1702 41.6952 179.0002 123 K 3.9893 8.0025 119.4470 59.4921 31.8954 178.6525 124 E 4.0322 8.0660 118.1146 59.0201 29.4640 178.8593 125 L 4.4000 7.8333 118.4994 56.5072 42.7566 177.1926 126 D 4.6661 7.8445 118.2988 51.7115 42.5687 173.4644 127 P 4.4186 0.0000 0.0000 64.1380 31.6083 177.1870 128 A 4.4961 7.7363 117.4899 51.3721 19.4525 176.6177 129 L 4.0451 7.9770 119.6455 55.6123 42.7936 176.5508 130 K 4.4230 8.7166 122.5850 57.2413 35.7802 174.7691 131 N 5.4757 8.2646 116.7532 48.8821 39.8438 172.2396 132 P 4.2052 0.0000 0.0000 62.7851 32.4544 175.9270 133 Q 4.6945 8.7887 120.3249 53.9173 32.2367 176.6297 134 T 3.9225 8.5926 115.4424 67.3409 68.3937 176.0672 135 E 3.9143 8.1404 120.2393 59.5614 29.5474 178.3733 136 H 4.1471 8.2065 116.2704 59.1679 28.6881 177.4790 137 H 4.2666 7.9780 118.8142 58.3753 28.6654 177.5477 138 E 3.8755 8.1123 120.2214 59.3361 29.2567 179.4404 139 R 3.8835 7.8976 118.1282 59.1572 30.1304 178.3116 140 A 3.8853 8.1250 120.8876 55.1693 18.2417 179.4150 141 E 3.4803 8.1474 117.0942 59.5113 29.2017 179.8071 142 R 3.9877 7.5220 116.5708 59.1404 30.4089 179.0746 143 V 3.7997 7.8683 117.9924 66.1383 31.6219 177.9696 144 F 4.1377 8.6914 117.6174 60.9223 38.6516 177.4319 145 N 4.8793 8.6064 114.6834 56.1065 38.3383 177.0341 146 L 4.2352 7.9081 119.9278 56.6466 41.8103 177.6340 147 L 4.6862 7.9139 115.4825 53.9956 44.2461 176.2726 148 L 4.3046 8.2889 123.2073 54.7317 42.1537 176.0848 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 L 8.18 4.18 0.00 1.75 1.74 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *4 K 7.58 4.17 0.00 1.90 1.80 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.62 7.81 5 V 8.41 3.79 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 1.10 0.00 0.00 0.99 0.00 0.00 6 A 8.08 4.27 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 7 E 8.06 4.02 0.00 2.04 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 2.40 2.40 0.00 8 F 8.25 4.32 0.00 3.42 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 9 E 8.56 4.17 0.00 2.26 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 0.00 2.38 2.67 0.00 10 R 8.23 3.97 0.00 2.08 2.22 0.00 3.12 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 1.68 1.72 0.00 11 L 8.23 4.09 0.00 1.92 1.69 0.91 1.12 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 12 F 8.58 4.13 0.00 3.34 3.34 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 13 R 8.21 4.01 0.00 2.16 2.03 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.07 0.00 14 Q 8.06 4.17 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 15 A 8.57 4.27 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 16 A 7.63 4.50 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 17 G 8.50 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 0.00 0.00 0.00 0.00 18 L 8.01 4.92 0.00 1.87 1.66 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.36 4.85 0.00 2.75 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 20 V 7.96 3.72 0.84 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 0.42 0.00 0.00 0.40 0.00 0.00 21 D 8.47 4.46 0.00 2.65 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 22 K 8.83 3.38 0.00 1.82 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.48 7.81 23 N 8.95 4.54 0.00 2.72 2.82 0.00 0.00 6.89 7.97 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 24 D 8.51 4.67 0.00 2.56 2.33 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 25 L 7.38 3.57 0.00 1.56 1.26 0.91 0.29 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 26 K 7.78 3.79 0.00 1.80 1.73 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.52 7.81 27 R 7.72 3.83 0.00 1.89 1.78 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 28 V 7.44 3.30 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 0.70 0.00 0.00 0.67 0.00 0.00 29 S 8.06 4.15 0.00 3.90 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 30 D 8.18 4.34 0.00 2.90 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 31 F 8.71 4.14 0.00 3.08 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 32 L 8.18 3.89 0.00 1.72 1.68 0.81 0.95 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 33 R 8.29 3.90 0.00 1.84 2.18 0.00 3.41 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 34 N 8.24 4.37 0.00 2.80 2.78 0.00 0.00 7.05 7.55 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 35 K 7.66 3.91 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.98 1.36 7.81 36 L 8.31 3.95 0.00 1.85 1.87 0.90 0.68 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 37 Y 8.51 4.03 0.00 3.11 3.13 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 38 D 8.54 4.31 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.92 0.00 1.87 1.67 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.87 3.88 0.00 1.65 1.56 0.88 0.81 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 41 A 7.88 3.74 1.07 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 0.00 0.00 42 V 7.73 3.46 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 1.04 0.00 0.00 0.91 0.00 0.00 43 A 8.04 4.48 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 44 E 8.37 3.85 0.00 1.96 2.04 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 2.28 2.29 0.00 45 R 7.77 3.90 0.00 2.00 2.07 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 46 N 8.56 4.36 0.00 2.92 2.89 0.00 0.00 6.95 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 47 A 8.49 4.11 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 48 K 8.26 3.97 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.66 7.81 49 Y 8.23 4.15 0.00 3.00 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 50 N 8.19 4.69 0.00 2.91 2.85 0.00 0.00 7.02 7.24 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 51 G 8.03 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 52 R 8.06 4.75 0.00 2.01 1.99 0.00 3.37 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 53 D 8.64 4.81 0.00 2.68 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 54 L 7.44 4.95 0.00 1.30 0.94 0.94 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 55 I 7.95 4.48 1.74 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 1.19 0.51 0.86 0.00 0.00 56 F 9.42 4.96 0.00 2.92 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 57 E 9.31 3.95 0.00 2.07 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 2.34 2.33 0.00 58 P 0.00 4.40 0.00 2.12 2.13 0.00 3.81 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 2.04 2.14 0.00 59 D 8.36 4.51 0.00 2.93 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 60 L 7.74 4.38 0.00 1.79 1.59 0.91 1.00 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 61 P 0.00 4.46 0.00 2.14 2.05 0.00 3.76 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 1.95 1.94 0.00 62 I 7.37 4.13 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 1.33 0.74 0.90 0.00 0.00 63 A 8.17 4.29 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 64 K 8.71 3.85 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.53 7.81 65 G 8.00 3.60 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 0.00 0.00 0.00 66 L 7.84 3.99 0.00 1.72 1.78 0.91 0.66 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 67 Q 8.23 3.97 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 68 E 8.36 4.02 0.00 2.23 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 2.34 2.49 0.00 69 T 8.05 3.96 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 1.27 0.00 0.00 70 L 8.05 4.05 0.00 1.89 1.89 0.99 0.83 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 71 Q 8.13 4.03 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 72 E 8.07 3.99 0.00 2.16 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 0.00 2.46 2.50 0.00 73 F 8.14 4.32 0.00 3.02 3.33 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 74 R 8.18 3.75 0.00 1.98 1.95 0.00 3.47 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 75 R 6.97 4.18 0.00 1.82 1.85 0.00 3.18 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 *77 D 7.58 4.29 0.00 2.63 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 78 T 6.97 4.35 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 1.29 0.00 0.00 79 A 8.30 4.34 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 80 L 8.26 4.85 0.00 1.63 1.52 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.43 4.29 0.00 1.95 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 0.00 2.31 2.29 0.00 82 L 8.59 4.05 0.00 1.75 1.64 0.97 0.34 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 83 K 8.07 3.85 0.00 1.85 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.58 7.81 84 P 0.00 4.28 0.00 2.32 2.09 0.00 3.69 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 2.10 2.15 0.00 85 V 7.65 3.60 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 1.06 0.00 0.00 1.01 0.00 0.00 86 L 8.00 4.04 0.00 1.75 1.70 0.91 0.92 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 87 D 8.36 4.35 0.00 2.61 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 88 A 8.08 4.15 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 L 8.12 4.03 0.00 1.91 1.82 0.94 0.65 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 90 A 7.83 4.12 1.40 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 0.00 0.00 91 A 7.68 4.09 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 92 L 6.99 4.45 0.00 1.49 0.92 0.38 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.30 0.00 2.19 2.07 0.00 3.52 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 94 P 0.00 4.55 0.00 2.19 2.07 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 2.00 0.00 95 L 8.13 4.24 0.00 1.63 1.83 0.85 0.97 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 96 D 9.36 4.47 0.00 2.72 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 97 L 7.77 4.62 0.00 1.58 1.66 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.33 4.26 0.00 1.86 1.80 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 2.36 2.31 0.00 99 V 8.05 4.32 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 0.60 0.00 0.00 0.87 0.00 0.00 100 A 8.48 3.93 0.78 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 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.93 3.87 0.00 2.09 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 2.39 2.45 0.00 102 D 8.09 4.38 0.00 3.00 2.99 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 0.00 103 V 7.67 3.58 2.13 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 1.06 0.00 0.00 0.91 0.00 0.00 104 R 7.74 3.84 0.00 1.83 2.08 0.00 3.42 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 105 N 8.13 4.50 0.00 2.82 2.86 0.00 0.00 6.72 6.60 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 0.00 106 L 7.87 4.18 0.00 1.90 1.79 0.94 0.63 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 0.00 107 L 8.15 3.94 0.00 1.83 1.70 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.26 0.00 2.37 2.44 0.00 3.70 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 2.18 2.06 0.00 109 E 7.64 4.00 0.00 2.30 2.17 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 2.57 2.58 0.00 110 L 8.35 3.94 0.00 1.77 1.66 0.90 0.63 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 0.00 111 A 7.99 4.00 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 0.00 112 G 7.42 2.35 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 0.00 113 A 7.68 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.36 4.09 0.00 1.82 1.85 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.74 3.52 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 0.58 0.00 0.00 1.05 0.00 0.00 116 V 7.92 3.53 2.29 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 1.02 0.00 0.00 1.10 0.00 0.00 117 A 8.45 4.12 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 0.00 118 Y 8.55 3.94 0.00 2.87 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 0.00 119 A 8.52 4.19 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 0.00 120 R 8.22 3.97 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 121 V 8.22 3.63 2.27 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 1.04 0.00 0.00 1.25 0.00 0.00 122 L 7.79 3.81 0.00 1.94 1.67 0.65 0.25 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 0.00 123 K 8.00 3.99 0.00 2.06 1.96 0.00 1.57 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.53 7.81 124 E 8.07 4.03 0.00 2.12 2.00 0.00 0.00 0.00 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 2.50 0.00 125 L 7.83 4.40 0.00 1.78 1.72 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.84 4.67 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 0.00 127 P 0.00 4.42 0.00 2.03 2.15 0.00 3.71 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 128 A 7.74 4.50 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 0.00 129 L 7.98 4.05 0.00 1.78 1.53 0.76 0.41 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 0.00 130 K 8.72 4.42 0.00 1.69 1.76 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.60 7.81 131 N 8.26 5.48 0.00 2.53 2.70 0.00 0.00 7.30 8.02 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 0.00 132 P 0.00 4.21 0.00 1.83 1.89 0.00 3.90 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 1.86 1.90 0.00 133 Q 8.79 4.69 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 134 T 8.59 3.92 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 1.19 0.00 0.00 135 E 8.14 3.91 0.00 2.01 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 2.30 2.39 0.00 136 H 8.21 4.15 0.00 3.29 3.20 0.00 5.87 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 0.00 137 H 7.98 4.27 0.00 3.36 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.11 3.88 0.00 2.12 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 0.00 2.29 2.54 0.00 139 R 7.90 3.88 0.00 1.86 2.01 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 140 A 8.13 3.89 0.90 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 0.00 0.00 141 E 8.15 3.48 0.00 1.94 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 0.00 1.47 1.82 0.00 142 R 7.52 3.99 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 143 V 7.87 3.80 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 1.12 0.00 0.00 0.96 0.00 0.00 144 F 8.69 4.14 0.00 3.66 3.57 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 0.00 145 N 8.61 4.88 0.00 3.01 3.02 0.00 0.00 7.12 7.37 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 0.00 146 L 7.91 4.24 0.00 1.79 1.74 0.95 0.95 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 0.00 147 L 7.91 4.69 0.00 1.47 1.59 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.29 4.30 0.00 1.52 1.48 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.