NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2299 8.3044 118.7594 54.1259 34.0617 176.0731 2 D 4.5799 7.3008 121.6709 53.8532 39.1572 174.6260 3 F 5.0251 8.6295 120.3607 57.4696 41.0511 175.7667 4 R 4.9421 9.4279 120.3522 54.5487 34.3267 174.1482 5 I 4.9624 8.4696 115.0695 59.2697 40.8210 174.4846 6 G 4.3651 9.1700 110.6198 44.6265 0.0000 171.2845 7 Q 5.1452 8.6706 117.9121 54.2517 31.8728 174.5112 8 G 4.4067 9.2533 107.6615 44.9157 0.0000 170.6942 9 Y 5.3925 8.5113 121.5924 55.9486 42.0117 173.5919 10 D 4.6172 8.4616 124.4568 52.9749 45.4064 174.0523 11 V 4.6976 7.7502 121.2782 60.6698 34.5941 173.5891 12 H 4.9805 8.8800 118.9278 53.9412 33.3343 172.9220 13 Q 4.6750 8.6293 119.7858 56.0177 30.1439 175.0161 14 L 4.9744 8.5696 123.6300 54.1480 42.6797 176.7357 15 V 4.6313 9.1602 116.7082 58.6644 36.0640 173.6709 16 P 4.4481 0.0000 0.0000 63.6310 31.9654 176.9770 17 G 3.9455 9.0756 109.6912 45.6248 0.0000 173.4893 18 R 4.7144 7.3949 117.6931 53.0124 33.7457 172.9221 19 P 4.5456 0.0000 0.0000 62.8111 32.6272 175.5546 20 L 4.4010 8.5304 124.4540 54.4175 43.3084 175.1531 21 I 5.0498 8.2915 127.3834 59.6079 40.5054 174.9761 22 I 4.5736 8.3238 127.7755 60.4691 40.3110 175.9325 23 G 3.9809 9.9613 113.2789 46.6377 0.0000 175.1325 24 G 3.8771 8.9450 107.2347 44.9964 0.0000 174.3562 25 V 4.0908 7.4764 120.7423 61.3691 32.4746 174.6752 26 T 4.6560 8.4467 124.5293 63.4765 68.9791 173.8861 27 I 4.3473 8.5769 128.3762 58.4577 39.1702 174.0951 28 P 4.3293 0.0000 0.0000 63.4705 30.4724 175.3259 29 Y 4.6520 8.1613 121.9848 56.9285 41.2411 174.1765 30 E 3.9075 8.0161 123.4927 58.1126 30.1076 176.3214 31 R 4.8671 6.7398 117.3880 54.4436 34.4043 174.1942 32 G 4.5801 8.9892 106.8238 44.0456 0.0000 171.4592 33 L 4.9630 8.3980 119.4770 53.9598 42.7488 176.5556 34 L 4.4343 8.6045 126.0549 54.1045 43.0142 175.9504 35 G 4.0282 8.3318 115.6662 46.0247 0.0000 173.6119 *36 H 4.3341 9.0652 116.3367 57.1912 28.4548 174.8216 37 S 4.7133 7.6418 115.9408 57.6450 64.6365 173.7422 38 D 4.3983 8.7506 119.4479 53.8766 39.4472 175.6055 39 A 3.4287 8.0933 122.1957 53.3698 16.5967 178.8486 40 D 4.6754 7.9019 121.8096 54.2831 40.5692 175.4550 41 V 3.9171 7.9375 128.7883 63.8564 31.4746 177.9686 42 L 3.8659 7.7801 120.3477 57.9921 42.0341 178.8299 43 L 4.0123 7.9510 118.4895 57.9317 41.3975 179.1982 44 H 4.2598 8.4200 116.2262 58.8562 28.6239 177.6422 45 A 4.0105 7.9985 122.5011 55.2747 18.1387 179.7872 46 I 3.6309 7.8144 118.2799 64.6611 37.0670 178.6421 47 T 3.6376 8.1736 116.9352 66.8879 68.3276 176.2914 48 D 4.5056 8.4695 120.6173 57.3523 40.7476 178.7174 49 A 4.1683 8.2319 121.3698 55.1096 18.3795 179.7703 50 L 3.8072 8.0501 117.5598 57.9864 41.7433 179.5742 51 F 4.5317 8.1403 118.1772 60.6514 38.8179 178.0041 52 G 3.6117 8.6844 105.4137 47.8678 0.0000 175.6513 53 A 4.2067 8.2767 123.6051 53.8588 18.4700 178.6741 54 A 2.9529 7.5979 115.9887 50.7839 19.3259 176.8418 55 A 3.6863 7.4928 119.5348 53.5737 16.6506 177.9168 56 L 4.6118 8.6698 117.0560 55.3126 43.3015 177.6788 57 G 3.9634 9.2717 108.6631 44.6131 0.0000 175.2146 58 D 4.8005 8.0660 126.0643 51.6584 42.2935 175.5641 59 I 3.7330 9.1474 119.8354 64.6689 37.1641 179.1386 60 G 3.7469 7.9507 110.6381 49.0970 0.0000 175.7066 61 R 3.9426 7.8650 117.4140 58.2354 29.6917 180.0223 62 H 4.2839 7.5296 111.7096 56.5757 30.0782 174.2784 63 F 5.1494 7.8514 115.5209 55.3554 42.5121 174.3495 *70 F 4.4899 8.3851 121.5346 57.8405 39.4692 173.8378 71 K 3.9607 8.7422 128.7146 55.2585 30.7762 172.4441 72 G 3.9537 8.7660 110.8099 45.2450 0.0000 171.8161 73 A 4.1146 8.2131 122.9119 51.6124 18.9866 178.7318 74 D 4.7003 8.3278 121.6253 52.7629 42.1326 177.8233 75 S 4.2181 8.9887 115.3346 61.1100 62.5496 177.2531 76 R 3.8925 8.0252 120.8289 58.9378 29.9412 178.4555 77 A 3.9567 8.4911 120.8337 55.1291 18.3058 179.7360 78 L 3.3169 7.5908 117.1977 57.4059 41.4751 179.4498 79 L 3.8893 7.9514 120.5652 58.1332 42.0452 179.2057 80 R 3.8828 8.2096 118.3722 59.2544 29.9222 178.7125 81 E 4.0258 8.2317 119.1645 59.1570 29.5407 178.2159 82 C 3.9639 8.5720 119.0725 62.5437 31.5655 175.3211 83 A 3.9131 8.1301 122.4566 55.2332 17.8283 179.4052 84 S 4.0803 8.1205 111.3959 61.8919 62.6053 176.8123 85 R 4.0342 8.3532 120.7608 59.0278 29.8164 179.1958 86 V 3.7028 8.2223 118.3074 66.1050 31.5678 178.0210 87 A 4.4801 8.1470 121.7967 54.8410 17.9807 179.6235 88 Q 4.0140 8.2994 115.7190 58.7534 28.8769 178.0274 89 A 4.4256 7.9136 119.0839 52.4085 19.0330 177.8975 90 G 3.7066 8.3291 106.4619 45.0082 0.0000 172.7858 91 F 5.4129 8.1543 117.3186 55.3307 41.9696 174.5278 92 A 4.9134 9.1382 123.8896 50.2231 21.7915 175.7156 93 I 4.2804 8.3593 122.2347 61.3295 37.5694 175.9088 94 R 4.5438 9.1481 126.7857 58.0430 31.3819 176.3301 95 N 4.9391 7.6027 113.0619 52.1164 40.5125 173.5304 96 V 4.9453 8.6755 119.5880 61.2710 35.0967 173.7937 97 D 5.4032 9.2213 125.9934 51.7852 45.0784 174.0430 98 S 5.0575 8.1485 115.4738 58.0423 66.5071 173.2697 99 T 4.9517 8.8983 116.7483 62.0140 72.6872 173.0074 100 I 4.7406 9.0137 126.8810 59.6955 39.9567 174.6730 101 I 5.0018 8.9344 127.8041 59.6567 39.0952 174.6127 102 A 4.8418 8.8658 129.1131 50.3383 22.0168 176.8764 103 Q 3.8545 8.9876 123.4147 58.7357 29.6125 175.8047 104 A 4.5000 7.2685 117.4142 50.1482 21.8825 173.8361 105 P 4.5431 0.0000 0.0000 61.3014 32.9915 175.8875 106 K 4.1027 8.3835 117.9738 56.7403 32.3198 177.2389 107 L 4.4725 8.4147 122.1170 55.3435 43.2904 178.3035 108 A 3.9734 8.2861 120.9584 55.0565 17.9098 177.5515 109 P 4.2886 0.0000 0.0000 64.5539 31.7488 177.2128 110 H 4.8331 8.1110 114.2947 55.6565 29.8148 176.3993 111 I 3.6852 7.4291 122.8424 64.6170 36.9664 177.9288 112 D 4.3283 8.1066 118.8848 57.1931 40.5848 178.5740 113 A 3.9933 7.9478 120.9191 55.3085 18.3819 179.3591 114 M 4.2552 7.8943 118.4635 58.1161 31.9818 179.1253 115 R 3.8774 8.1907 117.9874 59.2578 30.2181 178.9798 116 A 3.9808 8.1555 120.4593 55.1495 18.3271 179.4028 117 N 4.2528 8.3322 115.0426 56.5711 38.6185 177.7205 118 I 3.6485 7.9835 121.0288 64.3099 37.1226 178.2912 119 A 3.9560 8.3234 121.7069 55.1581 18.0571 179.5648 120 A 3.9205 8.1690 119.2282 55.5062 18.2581 179.6727 121 D 4.3333 8.1368 116.3771 56.8900 40.9834 178.0298 122 L 4.3128 7.9579 116.6292 53.3893 42.8893 175.7212 123 D 4.3575 7.5665 117.8536 55.6661 40.0379 172.7929 124 L 4.8773 7.9153 117.1727 51.9133 45.3801 175.6056 125 P 4.5261 0.0000 0.0000 62.3297 32.3969 177.4713 126 L 4.0072 8.4799 119.6257 57.9245 41.6660 178.5909 127 D 4.6405 8.0464 115.0669 54.1123 39.6102 176.4308 128 R 4.6327 8.1381 118.1069 56.0029 31.8870 175.0660 129 V 4.7908 7.8239 119.2827 61.0487 33.6478 174.3638 130 N 5.1189 9.2495 125.5674 51.8329 42.7097 172.9702 131 V 4.9863 8.2795 123.6055 59.9534 34.6338 174.4878 132 K 4.8188 9.0069 126.1452 54.4612 35.7194 174.7358 133 A 5.1934 8.5286 123.9510 50.2050 21.3942 175.7919 134 K 4.7625 9.2555 121.1962 54.8392 36.8431 176.1087 135 T 4.9170 8.3766 112.7868 59.5352 71.4416 173.5606 136 N 4.7366 8.6314 116.5833 52.8218 39.0096 174.1878 137 E 3.8613 8.5703 112.9702 57.0634 27.6530 175.3169 138 K 4.0488 8.2180 112.6794 57.2166 30.7717 175.5499 139 L 4.3962 7.8549 119.5730 54.2156 43.2885 178.5264 140 G 4.0580 8.4850 111.8702 45.3531 0.0000 173.1380 141 Y 4.3255 8.1072 115.7527 60.1866 37.8424 178.1350 142 L 4.0990 7.1113 120.4898 57.6190 41.5830 179.5589 143 G 3.6442 7.8783 104.4688 47.3376 0.0000 175.0635 144 R 4.3871 7.8587 117.7208 55.6207 30.3719 176.7597 145 G 3.9584 7.8466 106.8944 46.7224 0.0000 174.9688 146 E 4.2620 8.7299 121.7778 57.7149 29.9818 176.4236 147 G 4.4628 7.6380 105.2198 44.7797 0.0000 171.6757 148 I 4.8171 8.5602 118.8220 59.4562 41.1635 174.7599 149 E 5.0633 8.9995 126.8349 54.4819 32.5241 174.3569 150 A 5.2285 8.8231 125.6523 50.3087 22.9627 175.0201 151 Q 5.2031 9.1484 118.8637 54.2317 32.7961 174.6046 152 A 5.2273 9.1678 122.6307 50.4714 23.3920 174.8824 153 A 5.1792 9.3456 120.7059 50.1508 22.8789 175.2202 154 A 5.0288 9.0618 122.3290 50.0493 23.1576 174.5873 155 L 5.1245 8.7845 123.6216 53.4493 44.6158 175.7807 156 V 5.2204 8.9312 118.6288 59.5331 36.5854 174.6525 157 V 4.8323 8.9864 120.6777 60.0672 34.7313 174.8269 158 R 4.2781 9.1061 128.1161 56.0493 30.2060 176.7527 159 E 4.1144 8.3962 122.3294 56.0690 29.7719 173.0439 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 1 M 8.30 4.23 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.30 4.58 0.00 2.81 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 3 F 8.63 5.03 0.00 3.06 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 4 R 9.43 4.94 0.00 1.62 1.75 0.00 3.31 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 5 I 8.47 4.96 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 1.29 0.95 0.92 0.00 0.00 6 G 9.17 4.37 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 0.00 7 Q 8.67 5.15 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.25 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 0.00 0.00 0.00 0.00 9 Y 8.51 5.39 0.00 2.94 2.82 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 0.00 0.00 0.00 10 D 8.46 4.62 0.00 2.73 2.45 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 11 V 7.75 4.70 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 0.74 0.00 0.00 1.07 0.00 0.00 12 H 8.88 4.98 0.00 3.07 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.63 4.68 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 L 8.57 4.97 0.00 1.60 1.72 1.09 1.03 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 15 V 9.16 4.63 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 0.77 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.45 0.00 1.92 1.96 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 17 G 9.08 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 18 R 7.39 4.71 0.00 1.84 1.78 0.00 3.14 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 19 P 0.00 4.55 0.00 2.07 2.05 0.00 3.75 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 1.96 0.00 20 L 8.53 4.40 0.00 2.12 1.84 0.89 0.87 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 21 I 8.29 5.05 1.83 0.00 0.00 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 1.32 1.11 0.87 0.00 0.00 22 I 8.32 4.57 1.81 0.00 0.00 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 1.17 0.83 0.86 0.00 0.00 23 G 9.96 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 0.00 0.00 0.00 24 G 8.95 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 25 V 7.48 4.09 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 0.94 0.00 0.00 0.98 0.00 0.00 26 T 8.45 4.66 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 1.21 0.00 0.00 27 I 8.58 4.35 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.58 0.79 0.00 0.00 28 P 0.00 4.33 0.00 1.99 2.06 0.00 3.75 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 2.07 2.13 0.00 29 Y 8.16 4.65 0.00 2.90 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 30 E 8.02 3.91 0.00 1.93 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 1.61 1.98 0.00 31 R 6.74 4.87 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 32 G 8.99 4.58 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 0.00 33 L 8.40 4.96 0.00 1.55 1.56 0.90 1.01 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 34 L 8.60 4.43 0.00 1.64 1.60 0.94 1.04 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 35 G 8.33 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 *36 H 9.07 4.33 0.00 2.94 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.64 4.71 0.00 3.99 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 38 D 8.75 4.40 0.00 2.75 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 39 A 8.09 3.43 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 40 D 7.90 4.68 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.94 3.92 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 0.97 0.00 0.00 0.91 0.00 0.00 42 L 7.78 3.87 0.00 1.73 1.80 0.90 0.64 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 43 L 7.95 4.01 0.00 1.70 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.42 4.26 0.00 3.44 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.00 4.01 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 46 I 7.81 3.63 1.97 0.00 0.00 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 1.50 0.68 0.86 0.00 0.00 47 T 8.17 3.64 4.45 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 1.16 0.00 0.00 48 D 8.47 4.51 0.00 2.94 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 49 A 8.23 4.17 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 50 L 8.05 3.81 0.00 1.55 1.51 0.80 1.21 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 51 F 8.14 4.53 0.00 3.15 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 52 G 8.68 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.21 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 54 A 7.60 2.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.49 3.69 1.34 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 0.00 0.00 56 L 8.67 4.61 0.00 1.75 1.71 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.27 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 58 D 8.07 4.80 0.00 3.05 2.78 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 59 I 9.15 3.73 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 1.13 0.00 0.00 60 G 7.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.87 3.94 0.00 1.88 1.86 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 62 H 7.53 4.28 0.00 1.71 1.90 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.85 5.15 0.00 2.95 2.79 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 *70 F 8.39 4.49 0.00 2.90 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 71 K 8.74 3.96 0.00 1.77 1.70 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.05 7.81 72 G 8.77 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 73 A 8.21 4.11 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 74 D 8.33 4.70 0.00 3.18 2.81 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 75 S 8.99 4.22 0.00 3.85 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 76 R 8.03 3.89 0.00 1.96 2.03 0.00 3.10 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 77 A 8.49 3.96 1.34 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 0.00 0.00 78 L 7.59 3.32 0.00 1.58 1.06 0.65 -0.10 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 79 L 7.95 3.89 0.00 1.78 1.76 0.83 0.85 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 80 R 8.21 3.88 0.00 2.03 1.97 0.00 3.17 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 1.79 1.78 0.00 81 E 8.23 4.03 0.00 2.16 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 2.24 2.64 0.00 82 C 8.57 3.96 0.00 2.75 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 83 A 8.13 3.91 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 84 S 8.12 4.08 0.00 3.97 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 0.00 85 R 8.35 4.03 0.00 2.24 2.13 0.00 3.33 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 86 V 8.22 3.70 2.24 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 1.07 0.00 0.00 0.92 0.00 0.00 87 A 8.15 4.48 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 88 Q 8.30 4.01 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 89 A 7.91 4.43 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 0.00 0.00 0.00 0.00 0.00 90 G 8.33 3.71 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 0.00 0.00 0.00 91 F 8.15 5.41 0.00 3.18 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 92 A 9.14 4.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.36 4.28 1.89 0.00 0.00 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 1.35 0.62 0.91 0.00 0.00 94 R 9.15 4.54 0.00 1.87 2.05 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 95 N 7.60 4.94 0.00 2.85 2.86 0.00 0.00 5.61 7.68 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 96 V 8.68 4.95 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 0.99 0.00 0.00 0.91 0.00 0.00 97 D 9.22 5.40 0.00 2.77 2.42 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 98 S 8.15 5.06 0.00 3.98 3.89 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 99 T 8.90 4.95 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 1.21 0.00 0.00 100 I 9.01 4.74 1.84 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 1.19 0.65 0.92 0.00 0.00 101 I 8.93 5.00 1.86 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 1.16 0.88 0.92 0.00 0.00 102 A 8.87 4.84 1.15 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 0.00 103 Q 8.99 3.85 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 104 A 7.27 4.50 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 0.00 105 P 0.00 4.54 0.00 2.13 2.02 0.00 3.21 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 1.73 1.58 0.00 106 K 8.38 4.10 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 107 L 8.41 4.47 0.00 1.67 1.68 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.29 3.97 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 0.00 109 P 0.00 4.29 0.00 1.69 2.00 0.00 3.52 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 1.94 2.11 0.00 110 H 8.11 4.83 0.00 3.25 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.43 3.69 1.86 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 1.73 0.84 0.93 0.00 0.00 112 D 8.11 4.33 0.00 2.67 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 0.00 113 A 7.95 3.99 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 0.00 114 M 7.89 4.26 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 115 R 8.19 3.88 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 116 A 8.16 3.98 1.38 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 0.00 0.00 0.00 117 N 8.33 4.25 0.00 2.98 2.86 0.00 0.00 7.06 7.20 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 0.00 118 I 7.98 3.65 1.85 0.00 0.00 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 1.43 0.62 0.89 0.00 0.00 119 A 8.32 3.96 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 0.00 120 A 8.17 3.92 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 0.00 121 D 8.14 4.33 0.00 2.77 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 0.00 122 L 7.96 4.31 0.00 1.65 1.68 0.89 0.89 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 0.00 123 D 7.57 4.36 0.00 2.69 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 0.00 124 L 7.92 4.88 0.00 1.61 1.52 0.92 1.33 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 0.00 125 P 0.00 4.53 0.00 2.36 2.18 0.00 3.71 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 2.17 1.99 0.00 126 L 8.48 4.01 0.00 1.73 1.76 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.05 4.64 0.00 2.78 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 0.00 128 R 8.14 4.63 0.00 1.91 2.06 0.00 3.07 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 129 V 7.82 4.79 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 0.78 0.00 0.00 0.92 0.00 0.00 130 N 9.25 5.12 0.00 2.82 2.76 0.00 0.00 6.21 7.61 0.00 0.00 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 V 8.28 4.99 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 9.01 4.82 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.53 5.19 1.17 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 0.00 134 K 9.26 4.76 0.00 1.70 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.38 4.92 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 1.19 0.00 0.00 136 N 8.63 4.74 0.00 2.74 2.71 0.00 0.00 7.00 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 0.00 137 E 8.57 3.86 0.00 2.09 1.97 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 2.24 2.39 0.00 138 K 8.22 4.05 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 139 L 7.85 4.40 0.00 1.78 1.52 0.90 0.69 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 0.00 140 G 8.48 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 0.00 141 Y 8.11 4.33 0.00 3.33 3.30 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 0.00 142 L 7.11 4.10 0.00 1.52 1.68 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.88 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 0.00 0.00 0.00 144 R 7.86 4.39 0.00 1.87 2.02 0.00 3.28 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 145 G 7.85 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 0.00 146 E 8.73 4.26 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 147 G 7.64 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.56 4.82 1.86 0.00 0.00 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 1.09 1.10 0.92 0.00 0.00 149 E 9.00 5.06 0.00 2.10 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 2.23 0.00 150 A 8.82 5.23 1.16 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 0.00 0.00 151 Q 9.15 5.20 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 152 A 9.17 5.23 1.16 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 0.00 0.00 153 A 9.35 5.18 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 0.00 154 A 9.06 5.03 1.17 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 0.00 155 L 8.78 5.12 0.00 1.78 1.70 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.93 5.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.83 0.00 0.00 157 V 8.99 4.83 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 0.80 0.00 0.00 0.25 0.00 0.00 158 R 9.11 4.28 0.00 1.48 1.91 0.00 2.21 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.00 159 E 8.40 4.11 0.00 2.05 1.69 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 2.24 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.