NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.1552 8.0232 122.1921 51.3476 21.6211 176.1543 3 Y 4.8301 6.7665 112.4331 55.9246 41.2005 173.5676 4 W 5.5706 9.1434 121.2999 56.1761 34.7226 172.3092 5 L 5.6797 8.3363 120.9735 53.9356 45.6242 174.5289 *7 K 4.6991 8.3963 119.0116 56.7430 33.5781 175.8440 8 S 4.5600 9.0245 116.7970 56.9860 66.5404 172.7979 9 E 4.6956 8.8063 128.2198 55.1387 30.0111 174.9437 10 P 4.1535 0.0000 0.0000 66.1991 31.3082 178.2057 11 D 4.3919 8.0385 114.4970 56.4354 40.7888 177.8105 12 E 4.4927 7.2365 118.7640 57.0689 30.1380 176.3730 13 L 4.1292 7.9038 118.7308 53.4800 44.6306 174.4791 14 S 4.8941 8.2207 121.7825 56.7332 66.6544 174.6243 15 I 2.6123 7.8933 121.0339 63.6433 37.5832 177.6225 16 E 3.8222 7.9710 118.9175 59.3631 29.3277 178.9890 17 A 3.9998 8.0702 120.7876 55.0028 18.3926 179.4616 18 L 3.9432 7.9510 118.8172 58.1687 41.9294 179.0299 19 A 3.8693 7.5464 120.0184 55.1673 18.3114 179.5490 20 R 4.0283 7.6201 115.6924 59.2647 30.2498 178.9298 21 L 4.1911 8.0676 118.3729 56.5047 41.8567 177.1027 22 G 4.2084 9.2606 115.0529 43.9407 0.0000 171.6975 23 E 5.1207 7.6250 119.8420 53.5379 33.1894 174.4624 24 A 4.9155 9.1776 126.8024 50.2706 23.4337 174.6700 25 R 4.9525 8.6296 119.5000 54.9761 31.7210 176.4140 26 W 4.5037 9.5265 135.0000 55.8555 30.6765 174.3239 27 D 4.7711 8.2700 125.1954 51.5056 41.9229 176.6509 28 G 2.6319 8.8867 106.4862 44.5706 0.0000 173.8589 29 V 3.5230 7.0517 119.8406 62.8020 31.7051 175.6035 30 R 2.6853 8.0062 125.7072 54.7113 31.2793 174.7139 31 N 4.8233 7.7388 116.7875 51.8566 40.7641 173.9251 32 Y 4.2744 8.7971 126.0681 61.5561 38.1101 178.6925 33 Q 3.7572 8.3138 119.3167 59.1259 29.2996 177.8213 34 A 4.1889 8.6562 122.1111 55.1457 18.3925 179.5128 35 R 3.8555 8.4601 117.5569 59.8411 30.0003 178.4695 36 N 4.3070 8.0543 115.0406 56.4351 38.7588 177.1275 37 F 4.6901 8.0245 119.1753 60.4168 38.7529 177.6613 38 L 3.6309 7.6185 117.9534 57.7511 41.5491 179.3661 39 R 4.0447 7.8690 115.2292 57.1587 31.1941 177.5499 40 A 4.4558 7.4094 123.3141 50.2333 16.7899 176.4917 *42 S 4.1912 6.9375 119.9976 57.4809 64.8193 174.5031 43 V 4.0343 8.1109 122.5179 64.4691 31.6659 176.2134 44 G 4.0691 9.0097 116.1037 45.2848 0.0000 173.7323 45 D 4.5996 8.1277 119.7065 54.5679 42.2134 175.4030 46 E 5.4875 8.6683 120.1158 54.8055 33.3480 175.0311 47 F 5.6500 8.8492 116.0947 55.5490 42.0532 173.5104 48 F 4.9428 9.3381 120.2609 57.4705 40.2800 174.5307 49 F 4.7113 9.5302 127.2433 57.6840 40.2895 173.5390 50 Y 5.0330 8.6536 128.6420 56.3333 40.7904 174.0869 51 H 5.2523 8.8854 125.7826 55.6344 29.7067 174.8728 52 S 4.9827 8.7562 117.9680 55.7256 66.6274 173.7648 53 S 3.8286 8.6808 113.1694 59.1940 60.4724 171.3475 54 C 4.8387 7.4533 112.2538 55.8330 32.9079 173.0824 55 P 4.1637 0.0000 0.0000 65.1008 31.1840 176.4690 56 Q 4.5499 7.0965 116.8947 53.0036 28.7704 172.4800 57 P 4.9576 0.0000 0.0000 60.8422 32.5995 177.4990 58 G 4.1515 6.8663 108.6562 45.0011 0.0000 170.8845 59 I 4.3803 7.8765 120.7202 60.8917 37.1634 177.0018 60 A 4.3829 8.8509 129.0656 51.9218 20.0017 176.6598 61 G 3.0550 6.2771 101.4480 45.2723 0.0000 171.2085 62 I 4.9732 7.4782 119.1278 59.5256 40.9647 174.9237 63 A 5.0897 8.1221 126.2090 50.3645 23.4478 174.6383 64 R 5.1999 9.0008 114.5717 54.5514 33.6378 174.6308 65 I 4.7700 8.9318 122.1236 61.3350 37.8689 176.5349 66 T 4.5043 9.1596 117.2918 61.7488 70.3061 174.8584 67 R 4.5312 7.6615 122.8997 55.1917 33.2922 174.1348 68 A 4.6095 8.8117 128.1829 51.3165 19.6161 176.3601 69 A 4.8603 8.7549 120.1908 52.6111 18.7184 176.7562 70 Y 4.9249 8.2653 118.1100 54.5338 42.1036 172.3780 71 P 4.5654 0.0000 0.0000 63.3003 32.3514 175.5370 72 D 4.2686 9.0271 125.2614 53.5225 41.3860 175.1100 73 P 4.3961 0.0000 0.0000 65.9139 31.1911 178.2476 74 T 3.9998 8.2097 109.2274 64.3327 68.4501 176.2417 75 A 4.2637 8.0087 125.0504 53.8561 18.1965 178.6429 76 L 4.5372 7.6989 115.4667 54.2438 42.6242 176.1538 77 D 4.6538 7.5681 119.4192 52.2656 40.9404 174.8500 78 P 4.2840 0.0000 0.0000 65.4115 31.5754 178.0226 79 E 4.0262 8.3398 117.2436 58.6779 29.7123 177.5475 80 S 4.1883 7.7941 113.9793 58.0978 62.9067 174.5079 81 H 4.2932 8.2525 123.0512 57.8956 28.6354 175.5785 82 Y 4.7156 7.5101 117.3302 57.7756 37.8817 174.9689 83 H 4.7045 7.7235 119.5266 55.7266 30.7441 174.1993 84 D 4.7343 8.5578 124.5492 52.0095 43.0140 176.4183 85 A 4.0520 8.7830 130.1776 55.1325 18.5280 177.9417 86 K 4.2668 8.3760 112.3149 56.6940 32.5159 176.8393 87 A 4.6310 7.7128 122.6373 51.4610 19.6643 176.6082 88 T 4.7960 8.0664 110.0180 59.9298 72.3612 174.4884 89 T 3.9696 8.5910 117.8144 66.7967 68.3499 175.4072 90 D 4.6064 7.9571 117.2950 55.2075 42.2140 176.4844 91 K 4.4688 7.7715 117.2142 55.2621 33.0448 173.7947 92 N 4.9830 7.8470 116.9178 50.9800 39.6949 172.7141 93 P 4.0898 0.0000 0.0000 63.6759 32.0264 176.0869 94 W 5.0780 7.9464 119.7771 55.3594 31.5862 175.2754 95 S 5.2315 8.7756 117.0084 56.8666 66.4701 172.7186 96 A 4.8517 8.5486 122.8048 50.5720 23.1632 175.1488 97 V 5.0404 8.2000 109.4168 60.2421 36.6761 174.3368 98 D 5.6021 8.7956 121.4703 53.0482 43.4934 176.0948 99 V 5.2614 9.2650 114.4947 59.8183 36.4146 174.2368 100 A 5.2855 8.8874 121.8871 49.6984 22.8749 175.2224 101 H 4.4784 8.9703 120.0182 56.6582 30.3076 174.0958 102 V 4.2667 8.0285 122.9614 64.0559 33.5438 175.1021 103 Q 4.6045 8.1210 120.2994 54.9921 32.9974 172.4180 104 T 4.6722 8.3516 119.7539 59.9592 69.1399 173.7221 105 F 4.6795 8.4790 128.5303 57.1588 39.1050 174.1455 106 P 4.4377 0.0000 0.0000 64.9836 31.4760 177.2945 107 R 4.6517 7.5990 114.9729 53.6967 33.4782 175.1078 108 V 3.8214 8.4092 122.3304 63.4554 32.5662 176.1102 109 L 4.3911 9.1528 128.5105 53.2439 41.5154 175.6254 110 E 4.4207 8.6386 123.1271 56.6156 30.3754 177.8952 111 L 4.1508 8.9979 124.9034 58.4779 41.8918 179.8990 112 G 3.6249 8.0330 104.0527 47.8429 0.0000 175.0753 113 R 4.2028 7.9424 120.7427 59.2137 30.1678 178.4592 114 L 4.0032 7.9017 118.7974 57.7038 41.3994 179.5464 115 K 4.1558 8.1925 117.3675 58.7181 32.0874 178.5255 116 Q 4.4752 7.5658 116.2271 55.8149 29.2364 175.9121 117 Q 4.2618 7.7463 120.8136 54.2260 28.2865 176.4084 118 A 4.3080 8.5345 127.6014 54.5500 18.6259 179.1414 119 G 3.7823 8.0437 103.2177 47.2233 0.0000 174.1625 120 L 4.6944 8.2700 120.1704 54.2795 42.1751 178.5404 121 V 3.6042 7.4888 121.2292 64.6687 31.0348 176.9909 122 E 4.3307 7.9768 116.9268 56.4148 30.1642 175.7671 123 L 4.1877 7.9355 123.1847 53.7599 42.4269 175.3411 124 P 4.2530 0.0000 0.0000 65.6936 31.6279 177.9854 125 L 3.7504 8.0597 118.6516 57.9662 41.7618 177.9027 126 V 4.2270 7.7331 108.4861 61.0366 31.8659 175.2547 127 Q 4.5258 7.9457 120.7523 53.6131 30.0487 175.2436 128 K 3.8834 8.6019 123.3844 58.2237 32.4419 177.0797 129 G 3.9586 8.9128 112.9191 45.5366 0.0000 173.6283 130 S 4.2574 7.6970 114.5935 58.6010 62.7744 173.8014 131 R 4.6189 8.4147 124.3463 55.6260 31.1999 174.7707 132 L 4.2669 7.6775 121.0916 54.8193 42.2556 176.7943 133 S 4.6724 8.6911 119.6191 58.2565 64.0192 173.8940 134 V 4.7804 7.5151 119.1453 59.4645 34.5556 172.0657 *136 P 4.0985 0.0000 0.0000 62.6048 32.4846 175.6537 137 V 4.6925 7.9111 120.0454 61.2945 34.2054 175.4020 138 T 4.1815 9.1540 118.3328 60.8177 69.9591 173.8391 139 P 4.2679 0.0000 0.0000 66.2083 31.4494 178.8289 140 E 4.0130 8.1629 116.6447 59.5616 29.4770 179.2922 141 Q 4.0831 8.1743 118.2114 58.4268 28.7069 178.4019 142 W 4.2109 8.7303 129.8405 60.3783 30.6926 177.8829 143 A 4.0584 8.3717 120.8258 55.3829 17.6303 180.0570 144 V 3.5711 7.4539 109.2528 64.5415 31.9568 178.6442 145 I 3.6268 7.6064 119.5133 64.3720 36.4108 178.9602 146 V 3.4580 7.8407 112.8809 63.8545 31.3605 178.4090 147 A 4.0121 7.8399 120.6827 54.6676 17.9282 179.5936 148 L 3.9054 7.2811 116.7529 57.6285 41.7544 179.1496 149 R 3.5974 7.0650 116.8213 56.9647 29.9310 176.2453 150 L 4.0163 7.3277 122.7552 55.3823 42.1585 174.0331 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 A 8.02 5.16 0.70 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 0.00 0.00 3 Y 6.77 4.83 0.00 2.98 2.63 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 4 W 9.14 5.57 0.00 3.29 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 5 L 8.34 5.68 0.00 1.96 1.61 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *7 K 8.40 4.70 0.00 1.84 2.00 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 8 S 9.02 4.56 0.00 3.60 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.81 4.70 0.00 2.11 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 2.37 2.47 0.00 10 P 0.00 4.15 0.00 2.12 1.94 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 11 D 8.04 4.39 0.00 2.63 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 12 E 7.24 4.49 0.00 2.00 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 2.29 2.29 0.00 13 L 7.90 4.13 0.00 1.46 1.46 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.22 4.89 0.00 4.16 4.09 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 15 I 7.89 2.61 1.19 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.73 0.00 0.00 16 E 7.97 3.82 0.00 2.05 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 2.37 2.39 0.00 17 A 8.07 4.00 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 18 L 7.95 3.94 0.00 1.90 1.81 1.14 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.55 3.87 1.05 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 0.00 0.00 20 R 7.62 4.03 0.00 1.95 1.99 0.00 3.15 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 21 L 8.07 4.19 0.00 1.66 1.77 0.97 1.25 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 22 G 9.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.62 5.12 0.00 1.99 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 2.26 2.56 0.00 24 A 9.18 4.92 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 25 R 8.63 4.95 0.00 1.97 1.92 0.00 3.12 0.00 0.00 2.63 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 26 W 9.53 4.50 0.00 3.49 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 27 D 8.27 4.77 0.00 2.77 2.57 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 28 G 8.89 2.63 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 29 V 7.05 3.52 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 0.78 0.00 0.00 0.94 0.00 0.00 30 R 8.01 2.69 0.00 1.29 0.96 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.01 0.00 31 N 7.74 4.82 0.00 2.70 2.65 0.00 0.00 7.07 7.56 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 32 Y 8.80 4.27 0.00 3.13 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 33 Q 8.31 3.76 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 34 A 8.66 4.19 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 35 R 8.46 3.86 0.00 2.13 2.28 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 36 N 8.05 4.31 0.00 2.57 2.72 0.00 0.00 7.14 8.29 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 37 F 8.02 4.69 0.00 3.23 2.88 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 38 L 7.62 3.63 0.00 1.76 1.59 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.87 4.04 0.00 1.92 1.96 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 40 A 7.41 4.46 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 S 6.94 4.19 0.00 4.11 3.85 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 43 V 8.11 4.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 44 G 9.01 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 45 D 8.13 4.60 0.00 2.87 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 46 E 8.67 5.49 0.00 1.79 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 2.23 2.35 0.00 47 F 8.85 5.65 0.00 3.14 3.22 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 48 F 9.34 4.94 0.00 3.13 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 49 F 9.53 4.71 0.00 3.08 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 50 Y 8.65 5.03 0.00 3.25 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 51 H 8.89 5.25 0.00 2.97 3.16 0.00 5.64 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 52 S 8.76 4.98 0.00 4.12 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.68 3.83 0.00 4.02 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 54 C 7.45 4.84 0.00 3.03 2.98 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 55 P 0.00 4.16 0.00 2.20 2.23 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 56 Q 7.10 4.55 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 57 P 0.00 4.96 0.00 2.32 2.18 0.00 4.14 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 58 G 6.87 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 59 I 7.88 4.38 1.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.88 0.00 0.00 60 A 8.85 4.38 0.95 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 61 G 6.28 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 0.00 0.00 0.00 62 I 7.48 4.97 1.87 0.00 0.00 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 1.26 0.85 1.03 0.00 0.00 63 A 8.12 5.09 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 64 R 9.00 5.20 0.00 1.97 2.00 0.00 2.80 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 65 I 8.93 4.77 2.07 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.87 0.89 0.00 0.00 66 T 9.16 4.50 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 1.28 0.00 0.00 67 R 7.66 4.53 0.00 1.86 1.82 0.00 2.86 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 68 A 8.81 4.61 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 69 A 8.75 4.86 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 70 Y 8.27 4.92 0.00 3.00 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 71 P 0.00 4.57 0.00 2.02 2.09 0.00 3.87 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 2.09 2.13 0.00 72 D 9.03 4.27 0.00 2.57 2.63 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 73 P 0.00 4.40 0.00 2.36 2.39 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 74 T 8.21 4.00 4.38 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 1.32 0.00 0.00 75 A 8.01 4.26 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 0.00 0.00 0.00 0.00 0.00 76 L 7.70 4.54 0.00 1.79 1.76 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.57 4.65 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.28 0.00 2.05 2.05 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 79 E 8.34 4.03 0.00 2.03 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 2.31 2.34 0.00 80 S 7.79 4.19 0.00 3.88 4.05 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 81 H 8.25 4.29 0.00 2.50 2.93 0.00 5.74 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.51 4.72 0.00 2.99 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 83 H 7.72 4.70 0.00 3.32 3.30 0.00 5.54 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.56 4.73 0.00 2.74 2.58 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 85 A 8.78 4.05 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 86 K 8.38 4.27 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.42 7.81 87 A 7.71 4.63 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 88 T 8.07 4.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 89 T 8.59 3.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 90 D 7.96 4.61 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.47 0.00 1.78 1.62 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 92 N 7.85 4.98 0.00 2.83 2.71 0.00 0.00 7.34 7.69 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 93 P 0.00 4.09 0.00 1.08 1.76 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.64 0.00 94 W 7.95 5.08 0.00 3.30 3.02 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 95 S 8.78 5.23 0.00 3.68 3.64 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 96 A 8.55 4.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.20 5.04 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 0.61 0.00 0.00 0.76 0.00 0.00 98 D 8.80 5.60 0.00 2.69 2.66 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 99 V 9.26 5.26 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.53 0.00 0.00 100 A 8.89 5.29 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 0.00 101 H 8.97 4.48 0.00 3.15 3.22 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 0.00 102 V 8.03 4.27 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 0.87 0.00 0.00 0.91 0.00 0.00 103 Q 8.12 4.60 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 104 T 8.35 4.67 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 105 F 8.48 4.68 0.00 3.01 2.88 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 0.00 106 P 0.00 4.44 0.00 2.05 2.13 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 107 R 7.60 4.65 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 108 V 8.41 3.82 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 0.86 0.00 0.00 0.93 0.00 0.00 109 L 9.15 4.39 0.00 1.60 1.55 0.67 0.59 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 0.00 110 E 8.64 4.42 0.00 1.92 1.90 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 2.40 2.48 0.00 111 L 9.00 4.15 0.00 1.95 1.76 1.03 1.01 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 0.00 112 G 8.03 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 0.00 0.00 0.00 113 R 7.94 4.20 0.00 1.92 2.07 0.00 3.36 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 114 L 7.90 4.00 0.00 1.95 1.69 1.08 0.66 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 0.00 115 K 8.19 4.16 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.78 7.81 116 Q 7.57 4.48 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 117 Q 7.75 4.26 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 118 A 8.53 4.31 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 0.00 119 G 8.04 3.78 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 0.00 120 L 8.27 4.69 0.00 1.73 1.63 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.49 3.60 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 0.74 0.00 0.00 0.94 0.00 0.00 122 E 7.98 4.33 0.00 1.98 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 2.24 0.00 123 L 7.94 4.19 0.00 1.73 1.68 0.95 0.81 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 0.00 124 P 0.00 4.25 0.00 2.24 2.17 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 125 L 8.06 3.75 0.00 1.44 1.64 0.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.73 4.23 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 0.73 0.00 0.00 1.06 0.00 0.00 127 Q 7.95 4.53 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 128 K 8.60 3.88 0.00 1.72 1.75 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 129 G 8.91 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 0.00 130 S 7.70 4.26 0.00 3.86 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 0.00 131 R 8.41 4.62 0.00 1.81 1.88 0.00 3.44 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 132 L 7.68 4.27 0.00 1.68 1.64 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.69 4.67 0.00 4.08 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 0.00 134 V 7.52 4.78 2.20 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 0.81 0.00 0.00 0.91 0.00 0.00 *136 P 0.00 4.10 0.00 1.70 1.50 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 137 V 7.91 4.69 2.32 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 1.13 0.00 0.00 1.16 0.00 0.00 138 T 9.15 4.18 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 0.00 139 P 0.00 4.27 0.00 2.22 2.24 0.00 3.62 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 2.15 2.34 0.00 140 E 8.16 4.01 0.00 2.08 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 2.41 2.48 0.00 141 Q 8.17 4.08 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 142 W 8.73 4.21 0.00 3.18 2.98 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 0.00 143 A 8.37 4.06 1.45 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 0.00 0.00 144 V 7.45 3.57 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 0.84 0.00 0.00 0.95 0.00 0.00 145 I 7.61 3.63 1.52 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 -0.26 0.00 0.00 146 V 7.84 3.46 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 0.80 0.00 0.00 1.02 0.00 0.00 147 A 7.84 4.01 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 0.00 148 L 7.28 3.91 0.00 1.70 1.59 0.82 0.78 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 0.00 149 R 7.07 3.60 0.00 1.18 1.74 0.00 3.10 0.00 0.00 2.87 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 150 L 7.33 4.02 0.00 1.80 1.63 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.