NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8831 8.2833 118.1630 52.2496 38.8127 175.0837 2 L 4.1181 8.0639 118.6998 57.3579 41.3429 179.2354 3 F 4.3583 9.0737 118.9991 60.5511 39.4422 177.2348 4 Q 4.1165 8.4909 117.9414 58.9012 28.3919 178.4750 5 F 4.6037 8.4903 121.9912 61.1238 39.4498 177.0331 6 G 3.7654 8.4958 105.9207 48.3270 0.0000 174.7656 7 E 4.0667 8.4234 121.2928 59.6919 29.6402 179.3872 8 M 4.4757 8.2227 117.6070 58.9205 32.1834 179.0638 9 I 3.5421 7.9722 119.7332 64.1890 37.2158 177.8235 10 L 4.2258 8.2355 122.8727 57.8257 41.6364 179.0287 11 Q 3.7713 8.3595 117.8370 58.3132 28.9335 177.3768 12 K 4.3674 7.8902 117.4582 56.4147 33.0840 176.8411 13 T 4.4025 7.6644 106.8503 59.9513 70.3816 174.7318 14 G 3.7769 8.2539 110.3979 46.4829 0.0000 173.2184 *16 K 4.7044 7.4815 117.0177 55.9137 33.3837 175.0069 17 E 4.3627 8.4529 121.9907 55.6593 29.9661 178.0179 18 V 3.7555 8.6242 125.2125 65.1611 31.2402 178.6776 19 V 3.7171 7.8599 111.3291 63.5713 31.3978 176.9807 20 H 4.9080 7.8071 113.5850 55.9850 29.3334 175.2048 21 S 4.5435 8.7144 114.8130 59.3884 65.9951 175.5620 22 Y 4.0835 8.0095 118.3059 60.0547 38.6692 178.5239 23 A 4.1840 8.3514 122.6447 54.5192 18.6291 178.4327 24 I 4.6169 8.0538 108.1133 60.6250 38.0903 173.9089 25 Y 4.8838 8.2291 122.5114 57.2669 40.7330 176.4781 26 G 3.7353 8.2399 115.2256 46.5163 0.0000 172.9214 27 C 4.8876 9.5631 115.7847 57.0695 41.8881 175.0717 28 Y 4.5412 8.3284 114.5977 58.9008 40.3934 176.3105 29 C 4.6466 8.9570 116.3828 59.4541 41.2724 174.0726 30 G 4.2876 8.0134 112.7469 45.5166 0.0000 175.1266 31 W 4.6942 8.9097 117.5471 55.6292 28.2894 174.6531 32 G 3.7218 7.6408 104.8406 42.8380 0.0000 171.4603 33 G 3.8040 7.9334 106.2489 45.3307 0.0000 173.0270 34 Q 4.4282 7.4211 115.4753 55.8617 31.4325 174.3056 35 G 4.2874 8.3928 106.0980 45.0404 0.0000 171.8880 36 R 4.5586 7.9905 119.0221 54.5861 31.0599 177.0953 37 A 4.4483 8.7599 128.9622 52.5915 18.6840 177.8362 38 Q 4.0419 8.9173 122.7209 58.3154 29.4371 175.1237 39 D 4.4927 7.2179 114.7786 51.4627 41.9188 175.3834 40 A 4.0099 8.6119 119.6989 55.7078 17.8075 179.8074 41 T 3.8086 7.9804 113.8689 66.9684 68.5824 176.0498 42 D 4.5480 8.8761 120.1844 57.5077 41.1528 178.5233 43 R 3.9992 8.2657 118.6393 59.2549 30.0481 178.0123 44 C 4.0879 8.2649 116.4851 60.7367 39.7663 175.9130 45 C 4.2674 7.8880 116.3613 59.6385 39.3433 175.8974 46 F 4.1148 8.1760 122.5514 61.3505 38.9313 177.3826 47 V 3.1052 8.0690 118.2223 65.9668 31.2390 177.4319 48 H 3.8806 8.1283 118.0465 59.1912 29.6460 177.0377 49 D 4.1879 8.1075 120.9647 57.5604 40.4587 177.9845 50 C 4.0976 7.4780 115.7819 60.1445 36.0564 175.1670 51 C 4.2696 7.9755 119.9691 59.8995 44.4084 175.3021 52 Y 4.2307 8.4309 118.9159 60.7363 37.2106 178.0171 53 G 3.8110 7.9307 105.1012 46.2537 0.0000 174.6041 54 T 4.3360 7.4681 110.5805 60.7959 69.7071 174.4565 55 V 4.1597 7.2006 122.6278 61.7831 32.8537 174.9879 56 N 4.7663 8.4660 122.3789 53.8260 41.0097 175.8274 *58 D 4.9236 8.2564 115.1306 53.8885 42.8889 173.6969 59 C 4.6275 7.3848 112.3456 53.6046 44.3579 172.5545 *61 N 4.7622 8.3553 116.9085 53.2656 38.5380 172.8330 *68 P 4.0131 0.0000 0.0000 62.0035 33.2419 178.0239 69 K 4.1575 8.1149 119.3261 57.9573 32.3044 177.7237 70 T 4.4079 7.6315 105.3843 60.7977 69.4678 173.6669 71 A 3.9414 8.2170 126.5745 52.7192 17.9423 177.9971 72 T 4.2166 8.3521 121.0876 63.0843 67.8718 174.3757 73 Y 4.7778 7.6571 125.2700 55.5299 40.5073 174.9031 74 S 5.1044 10.1495 117.1857 57.0885 64.8511 173.5007 75 Y 5.5236 8.4306 121.6956 55.6618 41.0835 174.1081 76 S 4.2145 8.9195 114.3837 56.6812 67.2242 172.3644 77 F 5.6488 8.3429 119.4237 56.1495 40.4472 175.3404 78 E 4.6739 9.3738 119.7985 56.5022 32.4061 174.6123 79 N 4.2275 9.9443 116.4468 53.7007 36.4900 174.2608 80 G 3.9483 8.2229 103.4420 46.8018 0.0000 173.4104 81 D 5.0368 8.8613 118.8402 51.7907 44.0011 174.4138 82 I 4.7042 8.3469 125.5026 60.8170 38.4650 175.1958 83 V 4.3559 9.0214 127.2930 61.3216 33.9411 173.5527 84 C 5.0928 8.9854 125.8976 55.7509 40.8026 173.4593 85 G 3.9799 8.6693 110.9446 45.9023 0.0000 173.0531 86 D 4.5587 7.9495 120.7217 54.4793 41.5164 176.8486 *88 N 5.2279 8.4311 117.5787 53.3795 40.6371 174.8983 89 D 4.3533 7.9523 117.5085 54.0687 41.9694 176.1439 90 L 3.9141 8.6572 129.2006 59.4328 40.1894 179.8213 91 C 4.2426 8.3882 119.0426 59.2840 44.7771 175.5441 92 L 3.9800 8.0718 120.2009 57.8106 41.3366 179.1170 93 R 3.8320 8.2423 118.8586 59.7067 29.8568 178.8172 94 T 3.8138 7.7566 115.4590 66.4715 68.5736 176.8402 95 V 3.5125 7.6321 120.1642 66.3814 31.3796 177.2167 96 C 3.1030 7.8984 117.8525 59.2976 42.0788 175.4449 97 E 3.7468 7.9618 120.2466 59.1651 28.9927 178.3746 98 C 4.0965 8.1620 116.7377 60.2803 37.6655 175.7468 99 D 3.5095 7.8476 119.9710 57.1596 40.4292 178.4812 100 R 3.8268 8.0646 118.9491 59.9394 29.9792 178.0038 101 A 3.9616 8.3389 120.1605 55.3800 18.3107 179.4504 102 A 3.9410 8.0121 118.7845 54.9174 18.5241 179.7170 103 A 3.9486 8.5328 120.0035 55.2121 18.4140 180.0253 104 I 3.6167 7.8953 118.3447 64.7199 37.0423 177.5567 105 C 4.1402 8.0463 117.9507 59.8942 42.3643 175.4569 106 L 4.0791 7.9781 120.4386 57.5770 41.1573 179.6588 107 G 3.5944 8.0209 105.6190 48.0821 0.0000 175.7082 108 Q 4.1665 8.4946 119.6120 57.6817 28.8902 177.4007 109 N 4.9939 7.7694 115.8375 52.9284 39.3322 176.8925 110 V 3.8598 7.9079 115.5198 64.3610 31.6645 177.8446 111 N 4.6240 8.2416 115.3962 54.4637 37.4589 175.4369 112 T 4.4664 7.8107 108.2480 61.1833 69.2323 173.4994 113 Y 3.7971 7.8761 123.8959 58.4831 38.9564 175.0416 114 D 4.8929 8.7613 127.0589 52.0721 42.8660 176.6065 115 K 4.0300 8.8186 127.0571 59.4483 32.2399 178.6647 116 N 4.4224 8.1252 115.1201 55.2834 38.4610 175.1090 117 Y 4.0826 7.5868 115.8030 57.9082 38.4779 175.2686 118 E 4.2001 8.1653 121.4248 57.5703 29.7895 176.4613 119 Y 3.8029 8.5690 120.3941 58.8186 36.0091 169.9706 120 Y 4.3082 8.1742 123.2222 60.5755 38.9242 177.5567 121 S 4.3447 8.3425 114.6680 61.0253 63.5695 176.2462 122 I 3.5476 7.8789 114.6569 63.5841 37.3023 177.4757 *124 S 4.7252 7.7738 111.7970 57.7328 65.0554 173.0277 125 H 4.3743 7.0672 119.8200 53.9189 29.7155 173.2927 126 C 4.3128 8.8769 117.8405 59.6636 37.4634 173.3840 127 T 4.1507 7.8712 111.6185 61.9552 67.8181 173.6962 128 E 4.3165 7.7823 120.3127 56.3495 31.1684 175.4593 129 E 4.2074 8.7413 121.5171 57.4191 29.8989 176.7006 130 S 4.8208 8.5862 121.6942 57.6566 64.1592 174.0826 131 E 3.8671 8.3557 121.7875 56.6501 29.6168 177.0907 132 Q 4.5412 8.1191 118.7458 54.1895 31.4917 176.3855 133 C 4.2561 9.4087 119.6387 57.6166 41.2465 174.1058 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 N 8.28 4.88 0.00 3.11 3.08 0.00 0.00 6.14 5.79 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 2 L 8.06 4.12 0.00 1.61 1.79 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.07 4.36 0.00 3.34 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 4 Q 8.49 4.12 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 5 F 8.49 4.60 0.00 3.38 3.25 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 6 G 8.50 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 7 E 8.42 4.07 0.00 2.46 2.38 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 2.52 2.65 0.00 8 M 8.22 4.48 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.28 0.00 9 I 7.97 3.54 1.82 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.20 0.72 0.00 0.00 10 L 8.24 4.23 0.00 1.74 1.96 0.98 0.68 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 11 Q 8.36 3.77 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 12 K 7.89 4.37 0.00 1.81 1.79 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 13 T 7.66 4.40 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 1.18 0.00 0.00 14 G 8.25 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 *16 K 7.48 4.70 0.00 1.92 1.63 0.00 1.46 0.00 0.00 0.84 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.44 7.81 17 E 8.45 4.36 0.00 2.11 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 2.43 2.32 0.00 18 V 8.62 3.76 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 1.00 0.00 0.00 0.91 0.00 0.00 19 V 7.86 3.72 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.71 0.00 0.00 20 H 7.81 4.91 0.00 3.14 3.32 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.71 4.54 0.00 3.45 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 22 Y 8.01 4.08 0.00 3.01 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 23 A 8.35 4.18 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 24 I 8.05 4.62 1.45 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.85 0.00 0.00 25 Y 8.23 4.88 0.00 3.20 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 26 G 8.24 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.56 4.89 0.00 3.07 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 28 Y 8.33 4.54 0.00 3.32 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 29 C 8.96 4.65 0.00 3.47 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 8.01 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 0.00 0.00 0.00 0.00 31 W 8.91 4.69 0.00 3.18 3.23 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 32 G 7.64 3.72 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 0.00 0.00 0.00 33 G 7.93 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 34 Q 7.42 4.43 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 35 G 8.39 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 0.00 0.00 0.00 0.00 36 R 7.99 4.56 0.00 1.75 2.02 0.00 3.26 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 37 A 8.76 4.45 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 38 Q 8.92 4.04 0.00 1.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.34 1.65 0.00 39 D 7.22 4.49 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.61 4.01 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 41 T 7.98 3.81 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 0.79 0.00 0.00 42 D 8.88 4.55 0.00 2.93 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 43 R 8.27 4.00 0.00 2.12 2.01 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 44 C 8.26 4.09 0.00 3.14 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 45 C 7.89 4.27 0.00 3.37 3.40 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 46 F 8.18 4.11 0.00 2.51 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 47 V 8.07 3.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 48 H 8.13 3.88 0.00 3.25 3.29 0.00 5.84 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 49 D 8.11 4.19 0.00 2.85 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 50 C 7.48 4.10 0.00 2.72 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 51 C 7.98 4.27 0.00 2.97 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 8.43 4.23 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.93 3.81 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 0.00 54 T 7.47 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 1.25 0.00 0.00 55 V 7.20 4.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.86 0.00 0.00 56 N 8.47 4.77 0.00 2.86 2.75 0.00 0.00 7.12 8.08 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 *58 D 8.26 4.92 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 7.38 4.63 0.00 3.01 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 *61 N 8.36 4.76 0.00 2.72 2.75 0.00 0.00 7.66 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 *68 P 0.00 4.01 0.00 0.76 0.54 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.63 0.00 69 K 8.11 4.16 0.00 1.82 1.89 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 70 T 7.63 4.41 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 71 A 8.22 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.35 4.22 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 73 Y 7.66 4.78 0.00 3.21 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 74 S 10.15 5.10 0.00 3.74 3.82 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 75 Y 8.43 5.52 0.00 3.01 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 76 S 8.92 4.21 0.00 3.75 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 77 F 8.34 5.65 0.00 3.03 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 78 E 9.37 4.67 0.00 2.16 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 2.25 2.31 0.00 79 N 9.94 4.23 0.00 2.88 2.93 0.00 0.00 6.95 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 8.22 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 81 D 8.86 5.04 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.35 4.70 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.03 1.01 0.00 0.00 83 V 9.02 4.36 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 0.99 0.00 0.00 0.97 0.00 0.00 84 C 8.99 5.09 0.00 3.05 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 85 G 8.67 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 86 D 7.95 4.56 0.00 2.79 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 *88 N 8.43 5.23 0.00 2.74 2.92 0.00 0.00 7.22 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 89 D 7.95 4.35 0.00 2.71 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 90 L 8.66 3.91 0.00 1.89 1.92 0.91 0.57 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 91 C 8.39 4.24 0.00 3.01 3.19 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 92 L 8.07 3.98 0.00 1.78 1.82 1.01 0.88 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 93 R 8.24 3.83 0.00 1.98 2.10 0.00 3.09 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 94 T 7.76 3.81 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 1.16 0.00 0.00 95 V 7.63 3.51 2.23 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 1.06 0.00 0.00 0.81 0.00 0.00 96 C 7.90 3.10 0.00 1.66 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 97 E 7.96 3.75 0.00 2.06 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 2.41 2.42 0.00 98 C 8.16 4.10 0.00 3.17 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 99 D 7.85 3.51 0.00 2.64 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 0.00 100 R 8.06 3.83 0.00 1.81 2.12 0.00 3.17 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 101 A 8.34 3.96 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 0.00 102 A 8.01 3.94 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 0.00 103 A 8.53 3.95 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 0.00 104 I 7.90 3.62 2.01 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 1.42 0.74 0.91 0.00 0.00 105 C 8.05 4.14 0.00 3.02 3.32 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 0.00 106 L 7.98 4.08 0.00 1.58 1.17 0.35 0.42 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 0.00 107 G 8.02 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 0.00 108 Q 8.49 4.17 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.10 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 109 N 7.77 4.99 0.00 2.77 2.82 0.00 0.00 6.84 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 0.00 110 V 7.91 3.86 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 0.96 0.00 0.00 0.96 0.00 0.00 111 N 8.24 4.62 0.00 2.86 2.97 0.00 0.00 5.88 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 7.81 4.47 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 1.25 0.00 0.00 113 Y 7.88 3.80 0.00 3.10 3.04 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 0.00 114 D 8.76 4.89 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.82 4.03 0.00 1.90 1.92 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.92 1.74 7.81 116 N 8.13 4.42 0.00 2.41 2.54 0.00 0.00 6.96 7.05 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 0.00 117 Y 7.59 4.08 0.00 1.70 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.17 4.20 0.00 1.94 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 2.45 2.43 0.00 119 Y 8.57 3.80 0.00 3.20 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 0.00 120 Y 8.17 4.31 0.00 2.89 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 0.00 121 S 8.34 4.34 0.00 4.19 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 0.00 122 I 7.88 3.55 1.85 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 1.44 0.71 0.96 0.00 0.00 *124 S 7.77 4.73 0.00 3.71 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 0.00 125 H 7.07 4.37 0.00 2.30 2.76 0.00 6.00 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.88 4.31 0.00 3.08 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 0.00 127 T 7.87 4.15 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 1.20 0.00 0.00 128 E 7.78 4.32 0.00 2.04 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 2.44 2.40 0.00 129 E 8.74 4.21 0.00 1.98 1.88 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 2.30 2.38 0.00 130 S 8.59 4.82 0.00 3.86 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 0.00 131 E 8.36 3.87 0.00 1.16 1.12 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 2.32 1.53 0.00 132 Q 8.12 4.54 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 133 C 9.41 4.26 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.