NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2138 8.1400 114.8061 57.8376 64.6866 173.9848 2 L 4.0070 8.6960 123.8014 58.4265 41.7494 178.1717 3 L 4.0560 8.7825 119.7775 57.8088 41.9540 178.8098 4 E 4.0345 7.9463 117.4120 59.4093 29.3517 179.0909 5 F 4.6667 8.8448 121.2305 61.4142 39.4491 177.3839 6 G 3.5132 8.4321 105.5938 47.6799 0.0000 175.6570 7 K 4.0479 8.1807 122.1835 59.2836 32.2259 178.6236 8 M 4.3322 8.5191 118.8968 58.7473 32.1103 178.2681 9 I 3.6475 7.8917 120.0960 64.1607 37.1852 178.1358 10 L 4.4392 7.8302 122.3740 57.8885 41.7635 178.7790 11 E 4.0056 8.2509 117.3653 59.3624 29.4320 178.8677 12 E 4.1134 8.1510 118.6058 59.1234 29.9556 178.0128 13 T 4.3891 8.3256 107.8596 61.1996 70.0790 175.8200 14 G 3.8025 8.2116 109.7035 45.4161 0.0000 172.9047 *16 K 4.3234 7.4638 117.7088 55.8741 33.5976 175.0097 17 L 4.3478 8.1747 122.1325 54.2842 42.5510 177.5942 18 A 4.0771 8.9554 127.0230 54.8282 18.3935 177.0488 19 I 4.6406 7.6618 115.5197 59.3065 38.7003 173.6048 20 P 5.0274 0.0000 0.0000 61.8648 31.5817 176.6073 21 S 4.2691 7.8643 116.4329 61.1199 62.6664 174.7658 22 Y 4.8025 8.4716 115.0451 57.4971 38.9913 176.1631 23 S 4.7840 8.1936 116.1545 59.2258 64.2858 175.2136 24 S 4.9338 7.7925 116.2016 57.9075 63.5213 172.3229 25 Y 4.7026 8.1374 122.4025 58.5243 39.9756 175.4249 26 G 3.5571 8.1786 116.9195 46.8427 0.0000 173.0327 27 C 4.5284 9.3790 115.5598 58.3020 40.7843 174.4810 28 Y 4.5556 8.6103 114.4851 57.4019 39.7120 174.7890 29 C 4.7246 8.5765 119.2657 57.4973 40.5919 174.4584 30 G 4.4423 10.8901 113.6511 46.9867 0.0000 174.0620 31 W 4.6441 8.1692 127.3491 56.3844 31.0692 174.0904 32 G 4.5392 7.7238 105.2819 44.0495 0.0000 173.5184 33 G 4.2627 7.8193 116.1688 45.9795 0.0000 173.1838 34 K 4.4428 7.6372 116.2702 56.1409 35.0698 175.2184 35 G 4.4726 9.6311 106.7135 45.2428 0.0000 172.8848 36 T 4.2801 7.9512 115.2444 61.4049 69.3105 173.6401 37 P 4.5980 0.0000 0.0000 63.0298 31.8551 176.8675 38 K 3.7867 8.7118 121.6809 59.1061 32.2866 176.0757 39 D 4.3936 7.3236 115.6745 51.4165 41.9171 175.4797 40 A 3.9905 8.7028 119.9136 56.0391 17.9916 179.8062 41 T 4.0057 8.0530 113.5506 67.0061 68.4968 176.1789 42 D 4.5785 8.8678 120.0740 57.5010 41.1637 178.4751 43 R 3.9389 8.3225 118.8948 59.3093 30.0066 178.2288 44 C 4.1906 8.3176 116.4494 60.3951 39.2874 175.6448 45 C 4.3739 8.1948 118.0148 59.7039 40.5351 175.7977 46 F 3.6786 8.4394 122.6596 61.3032 38.9571 177.3808 47 V 3.3503 8.0054 117.9024 66.1498 31.2083 177.4307 48 H 3.9209 8.2047 117.9993 59.0317 29.7406 176.9762 49 D 4.1231 8.1581 121.0245 57.6183 40.4711 178.1114 50 C 4.0604 7.5594 115.5892 59.9383 37.2777 175.1289 51 C 4.2788 8.3234 120.3160 59.9992 43.5218 175.2848 52 Y 4.2662 8.0209 118.5306 61.0721 37.1765 178.8764 53 G 3.5888 8.0273 105.6788 47.3669 0.0000 174.8589 54 N 4.5796 7.8658 117.0129 54.1591 39.9192 175.0406 55 L 4.8012 7.5538 120.0218 52.7639 41.9047 175.1254 56 P 4.2236 0.0000 0.0000 65.2371 32.2143 178.1891 *59 D 4.8564 7.8487 118.1927 54.5772 42.4133 175.4177 *61 C 5.1373 7.6731 115.6871 57.3270 42.6090 172.9018 *67 N 5.0202 7.9496 116.4555 52.5907 38.6192 173.4657 68 P 4.0271 0.0000 0.0000 65.1506 32.1295 179.2580 69 K 4.1445 8.0963 117.6308 58.4625 32.2332 178.5281 70 S 4.4257 7.8027 111.1338 58.6589 64.8839 173.9064 71 D 4.3979 8.1567 121.4919 53.9658 41.1649 175.4105 72 R 4.5011 8.4424 126.1357 55.1212 31.3568 175.1260 73 Y 4.9334 7.8295 119.3983 54.9810 41.0667 174.6200 74 K 4.9682 8.5860 118.6521 54.9008 35.1886 175.0918 75 Y 5.5266 8.3895 120.8463 55.5441 41.3343 173.6369 76 K 4.6968 9.2888 119.4576 55.2748 36.8243 174.5939 77 R 4.9857 8.5168 118.9324 54.5633 31.8706 177.2892 78 V 4.1694 8.6818 125.1595 61.5270 31.1857 174.4587 79 N 4.1251 9.0411 124.2856 53.8792 35.6579 174.1274 80 G 4.1194 8.4605 106.0593 45.5956 0.0000 174.3896 81 A 4.1323 7.6905 121.9403 51.9569 19.0803 175.8758 82 I 4.7425 8.1902 122.9214 60.4219 38.4988 175.4692 83 V 4.3458 8.8456 127.5173 60.9716 33.9045 173.9522 84 C 4.8181 8.8707 126.4714 57.1766 40.4996 173.5056 85 E 4.6286 9.0718 124.1997 54.6215 30.9807 176.4145 86 K 3.9612 8.5876 123.5184 56.9134 33.4198 175.2069 *88 G 4.2175 8.2917 115.1420 45.4078 0.0000 172.7654 89 T 4.2551 8.6394 115.1882 60.9850 71.1451 175.9543 90 S 4.0882 8.4826 117.0290 61.9961 62.7882 177.6610 91 C 4.2619 8.1196 118.5335 60.1117 40.6242 175.8869 92 E 4.0047 8.1728 120.0710 59.4784 29.0573 179.1538 93 N 4.2695 8.4325 116.7526 56.4955 38.6157 177.7676 94 R 3.8975 8.0478 119.3493 59.0876 30.1031 179.1252 95 I 3.6119 8.0691 120.1156 64.3818 37.1108 177.5438 96 C 2.8852 7.8847 119.3194 59.4413 42.3283 175.5676 97 E 3.8374 7.9376 119.9442 59.3567 28.9225 178.8496 98 C 4.1713 8.0022 116.6848 60.1102 40.2828 175.8892 99 D 3.7716 7.9846 120.5440 56.8467 40.3440 178.5918 100 K 3.7069 8.2763 120.3381 59.4650 32.1134 178.5539 101 A 3.8551 7.8355 120.6027 55.0542 18.2173 179.4325 102 A 3.4197 7.7225 118.9066 55.0217 18.4371 179.6646 103 A 3.8435 8.0753 119.4541 55.4120 18.3854 179.9421 104 I 3.6265 7.7170 118.2753 64.5908 36.9226 177.8391 105 C 4.1852 8.1032 118.6787 59.6313 38.2117 175.3321 106 F 4.5944 8.0855 119.7698 60.6547 38.3221 177.5668 107 R 3.9546 8.1616 118.3325 59.5421 29.7137 178.1770 108 Q 4.2817 8.3822 117.7496 57.7967 29.2883 176.0584 109 N 5.1036 7.7472 115.9156 53.1688 39.5284 176.3430 110 L 4.2369 7.8143 120.5690 57.5253 41.7658 179.1050 111 N 4.5280 8.2956 115.0808 54.8243 37.3572 175.4008 112 T 4.5848 7.7360 106.7774 60.8237 69.5567 173.5699 113 Y 4.1345 7.8120 124.9523 58.4364 39.4379 175.1199 114 S 5.0348 8.7568 122.2857 56.4367 65.9334 175.4082 115 K 4.1613 8.8578 125.2767 58.7977 32.0646 179.1489 116 K 3.9050 7.7516 116.9943 59.1916 32.6633 177.0679 117 Y 4.4301 7.3630 116.3122 58.0024 38.0753 175.2294 118 M 4.3987 7.7211 121.7511 56.2440 32.5250 176.4451 119 L 3.7731 8.5879 121.9681 55.6112 39.9142 174.4247 120 Y 4.1630 7.2906 116.1243 57.1218 39.3230 174.1366 121 P 4.4021 0.0000 0.0000 62.1438 32.4719 176.8764 122 D 4.2596 8.8842 122.3430 57.2047 41.2990 177.9842 *124 F 4.7846 7.8310 111.4414 56.4398 39.5536 175.2212 125 L 3.8256 6.7755 119.7002 54.5567 41.3638 175.7752 126 C 4.8684 8.0768 117.3304 55.1741 40.0923 173.3225 127 K 4.6550 8.2336 123.8569 55.2817 34.9844 177.1552 128 G 4.3618 8.6193 106.6977 45.7891 0.0000 172.0563 129 E 4.8645 8.4500 118.6770 54.3651 31.0553 175.5008 130 L 4.6545 8.4205 124.8834 52.7772 44.0438 176.0885 131 K 4.1180 8.4312 125.8012 56.6965 32.8803 177.8895 *133 C 4.8821 8.5582 118.3521 57.4933 41.5353 173.7697 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 S 8.14 5.21 0.00 4.19 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 0.00 2 L 8.70 4.01 0.00 2.05 1.85 1.16 0.61 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 3 L 8.78 4.06 0.00 1.76 1.74 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.95 4.03 0.00 2.07 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 2.25 2.23 0.00 5 F 8.84 4.67 0.00 3.42 3.37 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 6 G 8.43 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.05 0.00 1.91 2.08 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.52 4.33 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 9 I 7.89 3.65 1.87 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.19 0.70 0.00 0.00 10 L 7.83 4.44 0.00 1.78 1.86 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.25 4.01 0.00 2.18 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 2.41 2.66 0.00 12 E 8.15 4.11 0.00 2.13 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 2.42 2.37 0.00 13 T 8.33 4.39 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 14 G 8.21 3.80 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 0.00 *16 K 7.46 4.32 0.00 1.87 1.60 0.00 1.51 0.00 0.00 0.91 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.26 7.81 17 L 8.17 4.35 0.00 1.69 1.77 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.96 4.08 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 19 I 7.66 4.64 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.94 0.00 0.00 20 P 0.00 5.03 0.00 2.19 2.14 0.00 3.36 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.86 4.27 0.00 3.87 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 22 Y 8.47 4.80 0.00 2.77 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 23 S 8.19 4.78 0.00 4.09 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 24 S 7.79 4.93 0.00 4.01 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 25 Y 8.14 4.70 0.00 3.25 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 26 G 8.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.38 4.53 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.61 4.56 0.00 3.21 3.11 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 0.00 0.00 0.00 29 C 8.58 4.72 0.00 3.52 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.89 4.44 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 0.00 31 W 8.17 4.64 0.00 3.28 3.31 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 32 G 7.72 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.82 4.26 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 0.00 34 K 7.64 4.44 0.00 2.11 1.81 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.53 7.81 35 G 9.63 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.28 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 1.14 0.00 0.00 37 P 0.00 4.60 0.00 1.93 2.07 0.00 3.46 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 1.57 1.76 0.00 38 K 8.71 3.79 0.00 0.79 0.74 0.00 1.68 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.91 0.21 7.81 39 D 7.32 4.39 0.00 2.80 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 40 A 8.70 3.99 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 41 T 8.05 4.01 4.32 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 0.89 0.00 0.00 42 D 8.87 4.58 0.00 2.98 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 43 R 8.32 3.94 0.00 2.09 1.97 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 44 C 8.32 4.19 0.00 3.33 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 45 C 8.19 4.37 0.00 3.37 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 3.68 0.00 2.49 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 47 V 8.01 3.35 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 0.73 0.00 0.00 1.03 0.00 0.00 48 H 8.20 3.92 0.00 3.13 3.29 0.00 5.65 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 49 D 8.16 4.12 0.00 2.73 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 50 C 7.56 4.06 0.00 2.81 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 51 C 8.32 4.28 0.00 2.93 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 52 Y 8.02 4.27 0.00 3.02 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 53 G 8.03 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 0.00 0.00 0.00 54 N 7.87 4.58 0.00 2.81 2.84 0.00 0.00 6.77 7.94 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 55 L 7.55 4.80 0.00 1.56 1.51 0.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.22 0.00 2.19 2.27 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 *59 D 7.85 4.86 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.67 5.14 0.00 3.02 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 *67 N 7.95 5.02 0.00 2.73 2.78 0.00 0.00 7.61 8.03 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 68 P 0.00 4.03 0.00 1.21 0.62 0.00 3.32 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.46 0.00 69 K 8.10 4.14 0.00 1.84 1.92 0.00 1.71 0.00 0.00 2.00 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.46 7.81 70 S 7.80 4.43 0.00 3.95 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 71 D 8.16 4.40 0.00 2.73 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 72 R 8.44 4.50 0.00 1.80 1.90 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 Y 7.83 4.93 0.00 3.06 3.05 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 74 K 8.59 4.97 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.36 7.81 75 Y 8.39 5.53 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.29 4.70 0.00 1.80 1.93 0.00 1.29 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.52 4.99 0.00 1.72 1.92 0.00 3.39 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 78 V 8.68 4.17 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 0.81 0.00 0.00 0.96 0.00 0.00 79 N 9.04 4.13 0.00 2.91 2.91 0.00 0.00 7.48 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 80 G 8.46 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 0.00 0.00 0.00 81 A 7.69 4.13 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 82 I 8.19 4.74 1.83 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 1.28 0.63 0.75 0.00 0.00 83 V 8.85 4.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.82 0.00 2.98 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 85 E 9.07 4.63 0.00 2.05 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 2.34 2.48 0.00 86 K 8.59 3.96 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.89 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.64 4.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 S 8.48 4.09 0.00 3.87 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 91 C 8.12 4.26 0.00 2.95 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.17 4.00 0.00 2.30 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 2.55 2.57 0.00 93 N 8.43 4.27 0.00 2.82 2.83 0.00 0.00 7.07 8.22 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 94 R 8.05 3.90 0.00 1.81 1.91 0.00 3.10 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 1.60 1.72 0.00 95 I 8.07 3.61 1.89 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 1.17 0.61 0.92 0.00 0.00 96 C 7.88 2.89 0.00 2.20 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.94 3.84 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 98 C 8.00 4.17 0.00 3.19 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 99 D 7.98 3.77 0.00 2.59 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 0.00 100 K 8.28 3.71 0.00 1.62 1.87 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.36 7.81 101 A 7.84 3.86 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 0.00 102 A 7.72 3.42 1.03 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 0.00 103 A 8.08 3.84 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 0.00 104 I 7.72 3.63 1.91 0.00 0.00 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 1.37 0.76 0.87 0.00 0.00 105 C 8.10 4.19 0.00 2.90 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 0.00 106 F 8.09 4.59 0.00 3.01 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 0.00 107 R 8.16 3.95 0.00 1.96 2.14 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.38 4.28 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.75 5.10 0.00 3.02 2.85 0.00 0.00 6.84 6.08 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 0.00 110 L 7.81 4.24 0.00 1.80 1.75 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.53 0.00 2.87 2.99 0.00 0.00 5.82 7.71 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 0.00 112 T 7.74 4.58 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 113 Y 7.81 4.13 0.00 2.99 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 0.00 114 S 8.76 5.03 0.00 3.82 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 0.00 115 K 8.86 4.16 0.00 1.84 1.91 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.60 7.81 116 K 7.75 3.90 0.00 1.59 1.70 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.72 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.74 0.21 7.81 117 Y 7.36 4.43 0.00 1.78 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 0.00 0.00 0.00 118 M 7.72 4.40 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 119 L 8.59 3.77 0.00 1.81 1.76 0.92 0.68 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 0.00 120 Y 7.29 4.16 0.00 3.12 3.05 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 0.00 121 P 0.00 4.40 0.00 2.10 2.10 0.00 2.33 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 122 D 8.88 4.26 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 F 7.83 4.78 0.00 3.23 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 0.00 125 L 6.78 3.83 0.00 1.02 1.51 0.43 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.08 4.87 0.00 3.03 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 0.00 127 K 8.23 4.66 0.00 1.78 1.68 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.38 7.81 128 G 8.62 4.36 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 0.00 129 E 8.45 4.86 0.00 1.99 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 2.29 2.40 0.00 130 L 8.42 4.65 0.00 1.51 1.40 0.36 0.36 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 0.00 131 K 8.43 4.12 0.00 1.90 1.76 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.50 7.81 *133 C 8.56 4.88 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.