NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0935 7.9014 120.3098 61.7453 33.4433 177.4254 3 G 3.5193 8.0517 108.1839 45.5594 0.0000 172.6559 4 I 4.0950 8.3530 112.9554 61.8497 39.4791 174.4462 5 N 4.6984 7.3753 117.8359 53.0832 39.1161 175.4977 6 T 4.3221 8.7671 112.6867 60.9204 71.3471 175.6806 7 D 4.3644 8.5460 120.6714 57.9665 40.7098 179.2639 8 T 3.8670 7.8625 115.4804 66.8149 68.4990 176.3906 9 E 3.9651 8.3639 120.4521 59.3673 29.4302 179.1846 10 N 4.3283 8.3273 116.6248 56.2801 38.5174 177.5181 11 I 3.7519 8.2634 124.0663 65.1247 37.1359 179.2365 12 S 4.1955 8.3710 122.0170 64.0804 62.1015 178.8798 13 E 4.1714 8.3417 122.1650 60.6827 29.3701 180.9005 14 L 3.9410 8.0366 121.2834 57.9443 42.1500 179.1241 15 L 4.1929 8.3044 121.6806 58.4074 41.4959 180.2411 16 K 4.1060 8.3524 123.8984 60.1201 31.5988 181.1500 17 T 4.1372 8.0546 116.9060 66.8546 68.3878 176.4954 18 Y 4.4683 8.2683 119.0262 60.7997 37.7675 178.5355 19 W 4.1327 8.6626 129.4707 60.4933 30.8773 177.9643 20 S 3.8161 8.7591 113.4581 61.4543 61.8281 176.1024 21 I 3.6942 7.9292 122.4655 64.5828 36.8035 178.2521 22 Q 4.0052 8.0909 120.2837 58.9864 28.6772 178.2935 23 R 3.6138 7.6683 119.4659 59.0262 30.0471 179.0950 24 I 3.6466 7.5944 119.6782 64.2247 37.0431 178.5840 25 S 4.2633 8.5103 116.2991 61.5051 62.6052 176.3971 26 A 4.0370 8.3350 123.9965 55.2402 17.9486 179.7303 27 G 3.4518 7.6045 104.0161 48.4088 0.0000 175.4992 28 Y 4.1926 7.6997 118.2790 60.4302 37.8236 178.2146 29 A 4.1084 8.3236 122.2882 54.8367 18.4185 179.4283 30 D 4.2090 8.1289 117.8512 57.7764 40.9420 179.0108 31 Q 3.7213 7.6098 118.5247 58.6281 28.2992 178.4190 32 N 4.4275 8.0501 117.9275 56.5104 39.0046 176.8017 33 A 3.9823 7.9469 121.9302 55.2592 18.5306 179.2678 34 A 3.9118 8.3799 119.8653 55.5070 18.1683 179.9598 35 S 4.1999 7.9041 111.2181 60.7516 63.2603 175.7036 36 L 4.4404 7.9210 120.9430 54.5463 41.7962 177.3407 37 G 3.9369 8.2106 107.3499 45.2342 0.0000 173.0503 38 L 4.9932 7.4070 117.5047 52.1729 45.3867 176.8083 39 T 4.2965 8.5976 111.6871 61.1210 71.2267 175.7876 40 I 3.7413 8.1080 120.5589 64.1195 37.7376 177.9116 41 Q 4.0319 7.9320 118.1190 58.8690 28.7128 177.9724 42 Q 4.1306 8.0753 118.4917 58.8594 29.0650 178.2228 43 L 4.1513 8.0624 121.2569 57.7011 42.0169 178.9276 44 A 3.9473 7.8871 116.7822 53.3350 17.9801 178.8672 *46 I 4.1162 7.6737 122.8604 62.7769 39.5037 178.0529 47 N 4.4026 8.2631 117.6679 56.1709 38.3039 177.4915 48 V 3.6313 8.2072 120.1229 66.3941 31.3805 178.2713 49 I 3.7917 7.7222 117.4345 64.1555 37.0192 177.4169 50 Y 4.2618 7.7636 120.3391 60.7202 38.7533 177.8674 51 S 4.2541 8.1430 113.9743 60.2934 64.7076 174.7415 52 T 4.5487 7.7823 119.2573 60.4678 67.9977 171.5098 53 P 4.3315 0.0000 0.0000 63.9794 32.2817 177.9621 54 G 3.8970 8.9962 109.3298 45.3731 0.0000 173.6735 55 I 3.7939 7.3258 120.9887 60.6795 38.7068 175.5751 56 S 4.9466 8.3446 121.6170 57.7432 65.4275 175.5162 57 V 3.5468 8.7330 122.9744 66.0786 31.1072 178.2409 58 A 3.9830 7.9932 120.0515 55.5079 18.2338 179.2051 59 D 4.3385 8.2045 117.1975 56.9526 40.9386 178.7536 60 L 3.9280 8.2478 121.3762 58.4100 42.0697 179.0079 61 T 3.9252 8.2834 118.3340 67.5000 68.2661 177.4542 62 K 4.0293 7.6001 123.7971 59.4868 31.7026 180.7479 63 R 4.2705 7.7803 117.8232 59.6485 30.1700 178.2939 64 L 4.1375 8.0500 119.9765 55.9113 42.3123 177.2502 65 I 3.0718 8.1397 117.2135 61.9026 32.5225 176.8343 66 I 4.6493 7.4842 120.7469 58.7738 39.5870 178.2818 67 T 4.5336 7.9934 113.2045 63.6607 70.2446 173.3365 68 G 3.7709 8.4563 107.8703 48.6874 0.0000 176.3339 69 S 4.2107 8.0531 117.6323 61.4090 62.8496 176.8997 70 S 4.3422 8.0482 116.1259 61.0230 62.9216 176.3313 71 A 3.9129 8.2805 124.5914 54.9787 18.1269 179.3086 72 A 3.9232 8.9436 120.3021 55.3063 18.4441 179.7669 73 A 3.9224 8.4230 119.4760 55.5070 18.5205 179.6926 74 N 4.3302 8.4067 115.2286 56.2833 38.5378 177.9465 75 V 3.5970 8.4208 120.1090 66.0425 31.6724 177.8002 76 D 4.4497 8.5001 119.1622 57.2815 40.6836 178.9010 77 G 3.6840 8.1129 106.1448 48.0634 0.0000 175.7455 78 L 4.0883 8.0075 121.4981 57.3251 41.5288 179.7781 79 I 3.9572 7.7175 120.0677 64.4508 36.8508 178.5473 80 S 4.1906 8.3956 115.3902 61.2667 62.7389 175.8988 81 L 4.3696 7.9090 119.0599 54.3711 41.6200 177.5248 82 G 3.9290 7.6935 107.0071 46.2289 0.0000 174.5663 83 L 4.4236 7.9311 121.7456 55.3280 43.1831 176.8336 84 V 4.8596 7.7689 116.9165 60.9755 34.6970 175.2025 85 V 4.6076 8.9565 119.3228 59.3783 35.3876 174.8451 86 K 4.5581 8.5701 123.0105 56.1701 32.6056 176.9522 87 L 4.0073 8.7324 126.3056 57.1391 41.8486 176.9001 88 N 4.5163 8.3147 121.6233 53.6497 45.7800 180.4142 *97 D 4.6734 8.4554 121.1206 52.5440 43.2467 178.1618 98 L 4.3214 7.7686 120.6120 56.2976 43.3859 175.6569 99 T 5.1903 8.5241 115.0020 60.0390 71.9330 172.8341 100 L 5.5126 8.7408 122.4434 53.2074 46.5740 175.4370 101 K 4.9530 8.5331 118.6210 55.3454 36.4529 175.5225 102 L 4.7760 8.5083 120.9561 54.7478 42.9534 176.9973 103 S 4.5562 8.7584 119.5360 57.8827 65.3005 175.9121 104 K 3.9860 8.7260 123.6300 59.9398 31.3901 176.0398 105 K 4.2376 8.1305 120.6933 59.3250 32.1617 179.0192 106 G 3.6286 7.9823 105.6118 47.6166 0.0000 175.6258 107 E 3.9276 8.2880 120.9032 59.2784 29.4838 178.7914 108 D 4.4514 7.9397 118.8568 57.7972 40.9914 179.3287 109 L 3.9482 7.7606 118.5522 57.5668 41.6574 179.6803 110 S 3.9035 7.9103 113.1686 61.3967 62.1493 176.3442 111 K 3.8965 8.2754 120.3431 59.5408 31.9249 179.2137 112 R 4.0556 8.1194 118.4462 58.9114 29.7774 178.8355 113 S 4.4098 8.0177 113.8805 60.5632 62.3284 176.0797 114 T 4.1151 7.2673 110.7283 64.0484 69.8143 175.5443 115 A 4.2219 7.0619 125.7505 50.8213 16.4382 176.1135 116 N 4.6713 8.1579 117.8588 51.9942 37.8909 174.0593 117 A 4.0505 8.5034 127.6651 55.0205 19.0472 180.1920 118 F 4.2246 8.1683 110.7995 58.9363 38.4400 176.6541 *120 Y 4.2192 7.9140 119.9082 57.9306 39.5072 176.4705 121 K 3.9024 8.1219 119.1753 59.4095 32.6340 177.8103 122 A 4.1638 7.3151 122.5667 52.0828 15.4064 177.4757 *125 K 4.2896 7.8125 120.2090 55.7076 35.0017 178.7965 126 V 3.8094 7.6897 118.2269 66.1060 31.3883 178.1284 127 F 4.3360 8.3226 117.1236 60.6477 38.6167 177.2634 128 E 4.2418 8.4374 116.7066 58.5299 29.1960 177.8522 129 N 4.9871 7.8037 115.2686 51.9791 39.9325 174.3381 130 L 4.9606 7.5835 119.7744 52.4407 45.5799 177.2686 131 T 4.3404 8.5651 114.5942 61.6208 71.2009 176.5209 132 E 3.8771 8.5768 121.6342 61.5896 29.7909 180.1526 133 N 4.4826 8.1543 117.1772 56.2503 38.4974 177.2525 134 E 3.9191 8.1565 119.7882 59.4136 29.7075 179.3812 135 I 3.4159 7.8971 122.4900 64.9054 37.1656 179.0528 136 E 4.0494 8.3725 121.6065 61.6471 29.5805 181.5427 137 E 4.1618 8.2326 119.5271 60.7551 29.8141 180.6751 138 L 4.1322 8.1573 122.1304 58.2354 42.1386 179.2319 139 I 3.7472 7.6022 119.1522 64.3563 37.0376 178.5055 140 R 3.9340 7.9672 119.3668 59.4143 29.9495 178.5812 141 L 4.0849 8.5122 119.1974 57.6559 41.5438 179.2795 142 N 4.4784 8.2841 116.6856 56.2472 38.5154 177.5597 143 K 3.9361 8.1379 119.9116 59.4086 32.0866 179.2748 144 K 4.1786 8.0595 121.2671 58.6058 32.0651 179.1848 145 V 3.5751 7.6916 118.2755 65.9213 31.5620 177.2864 146 E 3.8994 8.2815 119.3810 59.6899 29.2735 178.9832 147 T 3.8517 8.0924 109.5613 64.9194 68.8049 176.3302 148 L 3.9929 8.0456 122.0980 57.3542 41.4276 179.3963 149 L 4.0305 8.1453 118.2324 57.9293 41.6420 179.6022 150 K 4.1909 8.1042 119.7254 59.1794 32.0144 178.4610 151 K 4.3373 7.6283 127.5773 56.8070 31.9496 180.3460 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 V 7.90 4.09 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 0.76 0.00 0.00 0.97 0.00 0.00 3 G 8.05 3.52 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 0.00 0.00 0.00 4 I 8.35 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 1.41 0.67 0.91 0.00 0.00 5 N 7.38 4.70 0.00 3.04 2.78 0.00 0.00 7.00 7.42 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 6 T 8.77 4.32 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 1.28 0.00 0.00 7 D 8.55 4.36 0.00 2.70 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 8 T 7.86 3.87 4.23 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 1.20 0.00 0.00 9 E 8.36 3.97 0.00 2.12 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 2.32 2.34 0.00 10 N 8.33 4.33 0.00 2.95 2.85 0.00 0.00 7.02 7.02 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 11 I 8.26 3.75 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.92 0.00 0.00 12 S 8.37 4.20 0.00 3.73 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 13 E 8.34 4.17 0.00 1.97 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 2.24 2.18 0.00 14 L 8.04 3.94 0.00 1.72 1.73 0.38 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.30 4.19 0.00 1.88 1.77 0.96 1.43 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 16 K 8.35 4.11 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 17 T 8.05 4.14 4.23 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 1.20 0.00 0.00 18 Y 8.27 4.47 0.00 3.06 2.89 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 0.00 0.00 0.00 19 W 8.66 4.13 0.00 3.55 3.48 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 20 S 8.76 3.82 0.00 4.13 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 21 I 7.93 3.69 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.95 0.00 0.00 22 Q 8.09 4.01 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 23 R 7.67 3.61 0.00 1.51 1.52 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 24 I 7.59 3.65 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.98 0.00 0.00 25 S 8.51 4.26 0.00 3.98 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 26 A 8.34 4.04 1.29 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 27 G 7.60 3.45 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 0.00 28 Y 7.70 4.19 0.00 3.22 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 29 A 8.32 4.11 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 30 D 8.13 4.21 0.00 2.79 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 31 Q 7.61 3.72 0.00 1.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 32 N 8.05 4.43 0.00 3.19 2.86 0.00 0.00 7.07 8.21 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 33 A 7.95 3.98 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 34 A 8.38 3.91 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 35 S 7.90 4.20 0.00 4.24 4.31 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 36 L 7.92 4.44 0.00 1.78 1.75 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.21 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 0.00 0.00 0.00 38 L 7.41 4.99 0.00 1.59 1.53 0.91 0.97 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 39 T 8.60 4.30 4.34 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 1.20 0.00 0.00 40 I 8.11 3.74 1.84 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 1.62 1.18 0.89 0.00 0.00 41 Q 7.93 4.03 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 42 Q 8.08 4.13 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 43 L 8.06 4.15 0.00 1.77 1.78 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.89 3.95 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 *46 I 7.67 4.12 2.07 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 1.43 0.77 0.91 0.00 0.00 47 N 8.26 4.40 0.00 2.93 2.90 0.00 0.00 6.63 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 48 V 8.21 3.63 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 1.05 0.00 0.00 1.00 0.00 0.00 49 I 7.72 3.79 1.92 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 1.54 0.67 0.94 0.00 0.00 50 Y 7.76 4.26 0.00 3.05 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 51 S 8.14 4.25 0.00 4.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.78 4.55 4.30 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 1.20 0.00 0.00 53 P 0.00 4.33 0.00 2.13 2.00 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 54 G 9.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.33 3.79 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.96 0.00 0.00 56 S 8.34 4.95 0.00 4.09 3.97 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 57 V 8.73 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 58 A 7.99 3.98 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 59 D 8.20 4.34 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 60 L 8.25 3.93 0.00 1.84 1.90 0.93 0.83 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 61 T 8.28 3.93 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 1.29 0.00 0.00 62 K 7.60 4.03 0.00 1.80 1.73 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.32 7.81 63 R 7.78 4.27 0.00 2.00 2.15 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 64 L 8.05 4.14 0.00 1.67 1.72 0.93 0.74 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 65 I 8.14 3.07 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 1.16 0.49 0.91 0.00 0.00 66 I 7.48 4.65 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 1.27 1.25 0.91 0.00 0.00 67 T 7.99 4.53 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 1.21 0.00 0.00 68 G 8.46 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.05 4.21 0.00 3.88 3.93 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 70 S 8.05 4.34 0.00 4.05 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 0.00 71 A 8.28 3.91 1.42 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 0.00 0.00 72 A 8.94 3.92 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 73 A 8.42 3.92 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 74 N 8.41 4.33 0.00 3.00 2.88 0.00 0.00 6.71 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 75 V 8.42 3.60 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 1.01 0.00 0.00 76 D 8.50 4.45 0.00 2.84 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 77 G 8.11 3.68 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 0.00 0.00 0.00 78 L 8.01 4.09 0.00 1.85 1.74 0.93 0.81 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 79 I 7.72 3.96 2.03 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 1.70 0.70 0.91 0.00 0.00 80 S 8.40 4.19 0.00 3.94 3.93 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 81 L 7.91 4.37 0.00 1.63 1.71 0.92 0.71 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 82 G 7.69 3.93 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 0.00 0.00 0.00 83 L 7.93 4.42 0.00 1.73 1.72 0.92 0.75 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 84 V 7.77 4.86 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 0.88 0.00 0.00 0.95 0.00 0.00 85 V 8.96 4.61 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 0.79 0.00 0.00 1.02 0.00 0.00 86 K 8.57 4.56 0.00 1.64 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 87 L 8.73 4.01 0.00 1.54 1.70 0.92 0.85 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 88 N 8.31 4.52 0.00 2.69 2.43 0.00 0.00 6.59 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 *97 D 8.46 4.67 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.77 4.32 0.00 1.77 1.57 0.92 0.70 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 99 T 8.52 5.19 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 0.00 100 L 8.74 5.51 0.00 1.59 1.54 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.53 4.95 0.00 1.79 1.84 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 102 L 8.51 4.78 0.00 1.67 1.71 1.21 1.00 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 0.00 103 S 8.76 4.56 0.00 3.90 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 0.00 104 K 8.73 3.99 0.00 1.78 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.07 7.81 105 K 8.13 4.24 0.00 1.86 1.99 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.57 7.81 106 G 7.98 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 0.00 107 E 8.29 3.93 0.00 2.24 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 2.67 2.65 0.00 108 D 7.94 4.45 0.00 2.88 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 0.00 109 L 7.76 3.95 0.00 1.69 1.69 0.91 0.53 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 0.00 110 S 7.91 3.90 0.00 3.81 3.41 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 0.00 111 K 8.28 3.90 0.00 1.78 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 112 R 8.12 4.06 0.00 1.83 1.95 0.00 3.10 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 113 S 8.02 4.41 0.00 3.87 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 0.00 114 T 7.27 4.12 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 0.00 115 A 7.06 4.22 1.18 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 0.00 0.00 0.00 116 N 8.16 4.67 0.00 2.80 2.91 0.00 0.00 7.23 7.96 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 0.00 117 A 8.50 4.05 1.09 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 0.00 0.00 118 F 8.17 4.22 0.00 3.32 3.26 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 *120 Y 7.91 4.22 0.00 2.83 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 0.00 121 K 8.12 3.90 0.00 1.69 1.88 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.34 7.81 122 A 7.32 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 7.81 4.29 0.00 1.92 1.95 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.60 7.81 126 V 7.69 3.81 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 1.19 0.00 0.00 1.00 0.00 0.00 127 F 8.32 4.34 0.00 2.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.44 4.24 0.00 1.98 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 2.36 2.47 0.00 129 N 7.80 4.99 0.00 2.90 2.83 0.00 0.00 6.76 8.01 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 0.00 130 L 7.58 4.96 0.00 1.49 1.36 0.71 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.57 4.34 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 1.19 0.00 0.00 132 E 8.58 3.88 0.00 1.99 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 2.32 1.98 0.00 133 N 8.15 4.48 0.00 2.69 2.88 0.00 0.00 7.11 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 0.00 134 E 8.16 3.92 0.00 2.20 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 2.29 2.31 0.00 135 I 7.90 3.42 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.74 0.55 0.00 0.00 136 E 8.37 4.05 0.00 1.98 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 2.24 2.19 0.00 137 E 8.23 4.16 0.00 1.98 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 2.24 2.19 0.00 138 L 8.16 4.13 0.00 1.80 1.86 0.96 1.00 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 0.00 139 I 7.60 3.75 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 0.94 0.00 0.00 140 R 7.97 3.93 0.00 2.02 2.05 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 L 8.51 4.08 0.00 1.76 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.28 4.48 0.00 2.91 2.91 0.00 0.00 6.95 7.89 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 0.00 143 K 8.14 3.94 0.00 2.13 1.88 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.33 7.81 144 K 8.06 4.18 0.00 2.00 1.98 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.31 7.81 145 V 7.69 3.58 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 1.06 0.00 0.00 1.06 0.00 0.00 146 E 8.28 3.90 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 147 T 8.09 3.85 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 1.32 0.00 0.00 148 L 8.05 3.99 0.00 1.94 1.77 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.15 4.03 0.00 1.75 1.75 0.93 0.89 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 0.00 150 K 8.10 4.19 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 151 K 7.63 4.34 0.00 1.86 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.